SIMILAR PATTERNS OF AMINO ACIDS FOR 2HS2_A_017A201_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)

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	Hit	Macromolecule/ Organism	Pfam	Res.	Interface	HETATM	RMSD	Dali Z-score	Seq. Identity (%)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1civ	NADP-MALATE DEHYDROGENASE (Flaveria bidentis)	PF00056 (Ldh_1_N) PF02866 (Ldh_1_C)	5	LEU A 62 GLY A 69 ASP A 71 VAL A 45 ILE A 74	None	0.96A	2hs2A-1civA: undetectable	2hs2A-1civA: 14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1h2b	ALCOHOL DEHYDROGENASE (Aeropyrum pernix)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	5	GLY A 52 ALA A 51 GLY A 130 VAL A 46 ILE A 48	None	0.96A	2hs2A-1h2bA: undetectable	2hs2A-1h2bA: 13.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ALA A 28 ASP A 29 GLY A 48 PRO A 81 VAL A 82	A79 A 800 ( 4.0A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 (-4.1A) A79 A 800 ( 3.4A) A79 A 800 (-4.5A)	0.91A	2hs2A-1hvcA: 13.1	2hs2A-1hvcA: 46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	A79 A 800 ( 3.8A) A79 A 800 (-2.7A) A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 ( 3.7A) A79 A 800 (-3.8A)	1.22A	2hs2A-1hvcA: 13.1	2hs2A-1hvcA: 46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 (-3.4A) A79 A 800 ( 4.0A)	1.22A	2hs2A-1hvcA: 13.1	2hs2A-1hvcA: 46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	LEU A 23 ASP A 25 ALA A 28 ASP A 30 GLY A 49 PRO A 81 VAL A 82	A79 A 800 ( 3.8A) A79 A 800 (-2.7A) A79 A 800 (-3.1A) A79 A 800 ( 4.9A) A79 A 800 ( 3.7A) A79 A 800 ( 3.9A) A79 A 800 (-4.5A)	0.59A	2hs2A-1hvcA: 13.1	2hs2A-1hvcA: 46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	LEU A 23 ASP A 25 ALA A 28 ASP A 30 PRO A 81 VAL A 82 ILE A 84	A79 A 800 ( 3.8A) A79 A 800 (-2.7A) A79 A 800 (-3.1A) A79 A 800 ( 4.9A) A79 A 800 ( 3.9A) A79 A 800 (-4.5A) A79 A 800 (-3.6A)	0.69A	2hs2A-1hvcA: 13.1	2hs2A-1hvcA: 46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 PRO A 81 VAL A 82	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.0A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 ( 4.7A) A79 A 800 (-3.4A) A79 A 800 ( 4.0A) A79 A 800 ( 3.4A) A79 A 800 (-4.5A)	0.44A	2hs2A-1hvcA: 13.1	2hs2A-1hvcA: 46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 VAL A 82	A79 A 800 ( 3.8A) A79 A 800 (-2.7A) A79 A 800 (-3.0A) A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 ( 4.9A) A79 A 800 ( 3.7A) A79 A 800 (-3.8A) A79 A 800 (-4.5A)	0.43A	2hs2A-1hvcA: 13.1	2hs2A-1hvcA: 46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 50 PRO A 81 VAL A 82 ILE A 84	A79 A 800 ( 4.0A) A79 A 800 (-2.8A) A79 A 800 (-3.0A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 ( 4.7A) A79 A 800 ( 4.0A) A79 A 800 ( 3.4A) A79 A 800 (-4.5A) A79 A 800 (-3.8A)	0.56A	2hs2A-1hvcA: 13.1	2hs2A-1hvcA: 46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 50 VAL A 82 ILE A 84	A79 A 800 ( 3.8A) A79 A 800 (-2.7A) A79 A 800 (-3.0A) A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 ( 4.9A) A79 A 800 (-3.8A) A79 A 800 (-4.5A) A79 A 800 (-3.6A)	0.54A	2hs2A-1hvcA: 13.1	2hs2A-1hvcA: 46.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1j2b	ARCHAEOSINE TRNA-GUANINE TRANSGLYCOSYLASE (Pyrococcus horikoshii)	PF01472 (PUA) PF01702 (TGT) PF14809 (TGT_C1) PF14810 (TGT_C2)	5	ASP A 535 GLY A 537 ASP A 542 GLY A 449 PRO A 504	None	0.76A	2hs2A-1j2bA: undetectable	2hs2A-1j2bA: 11.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1kae	HISTIDINOL DEHYDROGENASE (Escherichia coli)	PF00815 (Histidinol_dh)	5	GLY A 227 ALA A 228 ASP A 204 GLY A 196 ILE A 206	None	0.93A	2hs2A-1kaeA: undetectable	2hs2A-1kaeA: 11.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1o9b	HYPOTHETICAL SHIKIMATE 5-DEHYDROGENASE-LIKE PROTEIN YDIB (Escherichia coli)	PF08501 (Shikimate_dh_N)	5	LEU A 129 GLY A 143 ALA A 144 GLY A 124 ILE A 151	None	0.97A	2hs2A-1o9bA: undetectable	2hs2A-1o9bA: 18.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1q9p	HIV-1 PROTEASE (Homo sapiens)	PF00077 (RVP)	6	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 84	None	0.53A	2hs2A-1q9pA: 9.7	2hs2A-1q9pA: 98.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	10	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 PRO A 81 ILE A 84	None	0.55A	2hs2A-1sivA: 17.7	2hs2A-1sivA: 51.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	7	ARG A 8 LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None	1.38A	2hs2A-1sivA: 17.7	2hs2A-1sivA: 51.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	10	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 PRO A 81	None	0.43A	2hs2A-1sivA: 17.7	2hs2A-1sivA: 51.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1tcs	TRICHOSANTHIN (Trichosanthes kirilowii)	PF00161 (RIP)	5	LEU A 215 GLY A 231 ALA A 230 VAL A 213 ILE A 225	None	0.96A	2hs2A-1tcsA: undetectable	2hs2A-1tcsA: 16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1tjr	BX1 (Zea mays)	PF00290 (Trp_syntA)	5	GLY A 307 ALA A 308 ASP A 309 VAL A 269 ILE A 303	None	0.86A	2hs2A-1tjrA: undetectable	2hs2A-1tjrA: 19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1u2e	2-HYDROXY-6-KETONONA -2,4-DIENEDIOIC ACID HYDROLASE (Escherichia coli)	PF12697 (Abhydrolase_6)	5	LEU A 281 GLY A 61 ALA A 60 ILE A 54 VAL A 277	None	0.94A	2hs2A-1u2eA: undetectable	2hs2A-1u2eA: 20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1w3f	HEMOLYTIC LECTIN FROM LAETIPORUS SULPHUREUS (Laetiporus sulphureus)	PF03318 (ETX_MTX2)	5	GLY A 241 GLY A 296 ILE A 297 PRO A 221 VAL A 220	None	0.99A	2hs2A-1w3fA: undetectable	2hs2A-1w3fA: 16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1zno	HYPOTHETICAL UPF0244 PROTEIN VC0702 (Vibrio cholerae)	PF01931 (NTPase_I-T)	5	ARG A 74 GLY A 77 ALA A 78 VAL A 44 ILE A 14	None	0.83A	2hs2A-1znoA: undetectable	2hs2A-1znoA: 18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2fja	ADENYLYLSULFATE REDUCTASE, SUBUNIT A (Archaeoglobus fulgidus)	PF00890 (FAD_binding_2) PF02910 (Succ_DH_flav_C)	5	LEU A 54 GLY A 36 ALA A 37 GLY A 438 ILE A 27	None None None FAD A1000 (-3.5A) None	0.76A	2hs2A-2fjaA: undetectable	2hs2A-2fjaA: 10.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2fmb	EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE (Equine infectious anemia virus)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 55 PRO A 86 VAL A 87 ILE A 89	None LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) LP1 A 201 (-3.6A) LP1 A 201 (-3.4A) LP1 A 201 (-3.9A) LP1 A 201 ( 4.9A) LP1 A 201 (-4.2A)	0.40A	2hs2A-2fmbA: 14.9	2hs2A-2fmbA: 33.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2fpg	SUCCINYL-COA LIGASE [GDP-FORMING] BETA-CHAIN, MITOCHONDRIAL (Sus scrofa)	PF00549 (Ligase_CoA) PF08442 (ATP-grasp_2)	5	LEU B 88 GLY B 52 ALA B 51 VAL B 100 ILE B 49	None GDP B 397 (-3.4A) None None None	1.00A	2hs2A-2fpgB: undetectable	2hs2A-2fpgB: 13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2hzg	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME/ENOLASE SUPERFAMILY (Rhodobacter sphaeroides)	PF02746 (MR_MLE_N) PF13378 (MR_MLE_C)	5	LEU A 310 ALA A 28 ASP A 27 VAL A 366 ILE A 341	None	1.00A	2hs2A-2hzgA: undetectable	2hs2A-2hzgA: 12.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2isq	CYSTEINE SYNTHASE (Arabidopsis thaliana)	PF00291 (PALP)	5	GLY A 190 ALA A 189 GLY A 183 ILE A 180 PRO A 296	None None PLP A 400 (-3.4A) PLP A 400 (-4.9A) PLP A 400 (-4.0A)	0.78A	2hs2A-2isqA: undetectable	2hs2A-2isqA: 15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2p2s	PUTATIVE OXIDOREDUCTASE (Pectobacterium atrosepticum)	PF01408 (GFO_IDH_MocA) PF02894 (GFO_IDH_MocA_C)	5	LEU A 250 GLY A 136 ALA A 135 ILE A 127 ILE A 261	None	0.96A	2hs2A-2p2sA: undetectable	2hs2A-2p2sA: 14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2p50	N-ACETYLGLUCOSAMINE- 6-PHOSPHATE DEACETYLASE (Escherichia coli)	PF01979 (Amidohydro_1)	6	LEU A 184 ALA A 163 ASP A 164 GLY A 127 VAL A 191 ILE A 189	None	1.06A	2hs2A-2p50A: undetectable	2hs2A-2p50A: 14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2q2r	GLUCOKINASE 1, PUTATIVE (Trypanosoma cruzi)	PF02685 (Glucokinase)	5	LEU A 179 GLY A 188 ASP A 131 GLY A 306 ILE A 309	None BGC A1001 (-3.5A) BGC A1001 (-3.0A) None None	0.98A	2hs2A-2q2rA: undetectable	2hs2A-2q2rA: 14.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rkf	PROTEASE RETROPEPSIN (Human immunodeficiency virus 1)	PF00077 (RVP)	5	ALA A 28 ASP A 29 GLY A 48 PRO A 81 ILE A 84	AB1 A 501 (-3.5A) AB1 A 501 ( 3.3A) AB1 A 501 (-4.2A) AB1 A 501 (-4.2A) AB1 A 501 ( 4.2A)	0.86A	2hs2A-2rkfA: 19.4	2hs2A-2rkfA: 82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rkf	PROTEASE RETROPEPSIN (Human immunodeficiency virus 1)	PF00077 (RVP)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 PRO A 81 ILE A 84	None AB1 A 501 (-2.4A) AB1 A 501 (-3.9A) AB1 A 501 (-3.5A) AB1 A 501 ( 3.3A) AB1 A 501 (-3.8A) AB1 A 501 (-3.5A) AB1 A 501 (-3.8A) AB1 A 501 (-4.2A) AB1 A 501 ( 4.2A)	0.57A	2hs2A-2rkfA: 19.4	2hs2A-2rkfA: 82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rsp	RSV PROTEASE (Rous sarcoma virus)	PF00077 (RVP)	6	LEU A 35 ASP A 37 GLY A 39 ALA A 40 ASP A 41 ILE A 108	None	0.24A	2hs2A-2rspA: 12.7	2hs2A-2rspA: 32.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2v6b	L-LACTATE DEHYDROGENASE (Deinococcus radiodurans)	PF00056 (Ldh_1_N) PF02866 (Ldh_1_C)	5	LEU A 136 GLY A 251 ALA A 36 VAL A 93 ILE A 95	None	0.93A	2hs2A-2v6bA: undetectable	2hs2A-2v6bA: 13.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2zuf	ARGINYL-TRNA SYNTHETASE (Pyrococcus horikoshii)	PF00750 (tRNA-synt_1d) PF03485 (Arg_tRNA_synt_N) PF05746 (DALR_1)	5	LEU A 620 GLY A 564 ALA A 563 ASP A 566 ILE A 572	None None None A B 917 ( 4.9A) None	0.94A	2hs2A-2zufA: undetectable	2hs2A-2zufA: 10.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3bl5	QUEUOSINE BIOSYNTHESIS PROTEIN QUEC (Bacillus subtilis)	PF06508 (QueC)	5	LEU A 108 GLY A 113 ALA A 114 VAL A 33 ILE A 7	None	0.97A	2hs2A-3bl5A: undetectable	2hs2A-3bl5A: 17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3dbg	PUTATIVE CYTOCHROME P450 (Streptomyces coelicolor)	PF00067 (p450)	5	GLY A 359 ALA A 360 ASP A 361 PRO A 24 ILE A 356	None	0.78A	2hs2A-3dbgA: undetectable	2hs2A-3dbgA: 11.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3glq	ADENOSYLHOMOCYSTEINA SE (Burkholderia pseudomallei)	PF00670 (AdoHcyase_NAD) PF05221 (AdoHcyase)	5	LEU A 242 ALA A 318 ILE A 325 VAL A 386 ILE A 342	None None None None NAD A 601 (-4.3A)	0.92A	2hs2A-3glqA: undetectable	2hs2A-3glqA: 14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3hh1	TETRAPYRROLE METHYLASE FAMILY PROTEIN (Chlorobaculum tepidum)	PF00590 (TP_methylase)	5	LEU A 79 GLY A 111 ALA A 110 VAL A 75 ILE A 76	None	1.00A	2hs2A-3hh1A: undetectable	2hs2A-3hh1A: 23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3ju7	PUTATIVE PLP-DEPENDENT AMINOTRANSFERASE (Bacillus cereus)	PF01041 (DegT_DnrJ_EryC1)	5	GLY A 164 ALA A 161 ASP A 160 GLY A 198 ILE A 182	None None LLP A 190 ( 2.8A) None None	0.96A	2hs2A-3ju7A: undetectable	2hs2A-3ju7A: 17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3jv7	ADH-A (Rhodococcus ruber)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	5	LEU A 211 GLY A 216 ALA A 217 ASP A 218 ILE A 190	None	0.68A	2hs2A-3jv7A: undetectable	2hs2A-3jv7A: 16.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3lsc	TRIAZINE HYDROLASE (Paenarthrobacter aurescens)	PF01979 (Amidohydro_1)	5	LEU A 383 ALA A 389 ILE A 48 VAL A 35 ILE A 32	None	0.96A	2hs2A-3lscA: undetectable	2hs2A-3lscA: 12.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3lxd	FAD-DEPENDENT PYRIDINE NUCLEOTIDE-DISULPHID E OXIDOREDUCTASE (Novosphingobium aromaticivorans)	PF07992 (Pyr_redox_2) PF14759 (Reductase_C)	5	LEU A 301 ALA A 294 ASP A 295 GLY A 348 ILE A 299	None	0.90A	2hs2A-3lxdA: undetectable	2hs2A-3lxdA: 13.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3mws	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	ALA A 28 ASP A 29 ASP A 30 GLY A 48 PRO A 81 VAL A 82 ILE A 84	None	0.87A	2hs2A-3mwsA: 18.6	2hs2A-3mwsA: 78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3mws	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 PRO A 81 VAL A 82 ILE A 84	None	0.65A	2hs2A-3mwsA: 18.6	2hs2A-3mwsA: 78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3mws	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	11	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 49 ILE A 50 PRO A 81 VAL A 82 ILE A 84	None	0.53A	2hs2A-3mwsA: 18.6	2hs2A-3mwsA: 78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3opy	6-PHOSPHOFRUCTO-1-KI NASE ALPHA-SUBUNIT (Komagataella pastoris)	PF00365 (PFK)	5	GLY A 419 ALA A 420 ASP A 421 VAL A 402 ILE A 457	None	0.85A	2hs2A-3opyA: undetectable	2hs2A-3opyA: 7.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3slz	GAG-PRO-POL POLYPROTEIN (Murine leukemia virus)	PF00077 (RVP)	5	LEU A 30 ASP A 32 GLY A 34 ALA A 35 GLY A 56	None 3TL A 126 (-2.4A) 3TL A 126 (-3.1A) 3TL A 126 ( 4.0A) 3TL A 126 (-3.4A)	0.24A	2hs2A-3slzA: 11.0	2hs2A-3slzA: 25.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	ARG A 8 ASP A 25 ALA A 28 ASP A 30 GLY A 49 ILE A 50	SO4 A 101 (-3.8A) 017 A 201 (-2.6A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) 017 A 201 (-4.0A) 017 A 201 (-3.3A)	1.46A	2hs2A-3t3cA: 17.7	2hs2A-3t3cA: 73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50	SO4 A 101 (-3.8A) 017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.5A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) 017 A 201 (-4.0A) 017 A 201 (-3.3A)	0.48A	2hs2A-3t3cA: 17.7	2hs2A-3t3cA: 73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 PRO A 81	SO4 A 101 (-3.8A) 017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.5A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) 017 A 201 (-4.0A) None	0.63A	2hs2A-3t3cA: 17.7	2hs2A-3t3cA: 73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 30 GLY A 49 ILE A 50	SO4 A 101 (-4.2A) 017 A 201 (-2.6A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) 017 A 201 (-4.0A) 017 A 201 (-3.3A)	1.28A	2hs2A-3t3cA: 17.7	2hs2A-3t3cA: 73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50	SO4 A 101 (-4.2A) 017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.5A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) 017 A 201 (-4.0A) 017 A 201 (-3.3A)	0.38A	2hs2A-3t3cA: 17.7	2hs2A-3t3cA: 73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 PRO A 81	SO4 A 101 (-4.2A) 017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.5A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) 017 A 201 (-4.0A) None	0.54A	2hs2A-3t3cA: 17.7	2hs2A-3t3cA: 73.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3t4w	MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN (Sulfitobacter sp. NAS-14.1)	PF02746 (MR_MLE_N) PF13378 (MR_MLE_C)	5	GLY A 92 ALA A 93 ILE A 99 VAL A 8 ILE A 54	None	0.94A	2hs2A-3t4wA: undetectable	2hs2A-3t4wA: 13.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3ttp	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 49 ILE A 50 PRO A 81	017 A 201 ( 4.8A) None 017 A 201 (-2.6A) 017 A 201 (-3.6A) 017 A 201 (-3.4A) 017 A 201 (-3.3A) 017 A 201 (-3.0A) 017 A 201 (-3.3A) 017 A 201 (-4.1A)	0.44A	2hs2A-3ttpA: 18.5	2hs2A-3ttpA: 75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3ttp	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 PRO A 81 ILE A 84	None 017 A 201 (-2.6A) 017 A 201 (-3.6A) 017 A 201 (-3.4A) 017 A 201 (-3.3A) 017 A 201 (-4.6A) 017 A 201 (-3.0A) 017 A 201 (-3.3A) 017 A 201 (-4.1A) 017 A 201 (-4.7A)	0.55A	2hs2A-3ttpA: 18.5	2hs2A-3ttpA: 75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3u7s	POL POLYPROTEIN (Human immunodeficiency virus 1)	PF00077 (RVP)	7	ARG A 8 LEU A 23 ASP A 25 GLY A 27 GLY A 49 ILE A 50 PRO A 81	None None 017 A 202 ( 2.5A) 017 A 201 ( 3.5A) 017 A 202 (-2.9A) 017 A 201 ( 3.5A) 017 A 202 (-4.0A)	0.57A	2hs2A-3u7sA: 18.5	2hs2A-3u7sA: 75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3u7s	POL POLYPROTEIN (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 30 GLY A 49 ILE A 50	None 017 A 202 ( 2.5A) 017 A 201 (-3.4A) 017 A 201 ( 4.0A) 017 A 202 (-2.9A) 017 A 201 ( 3.5A)	1.34A	2hs2A-3u7sA: 18.5	2hs2A-3u7sA: 75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3u7s	POL POLYPROTEIN (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 PRO A 81	None 017 A 202 ( 2.5A) 017 A 201 ( 3.5A) 017 A 201 (-3.4A) 017 A 201 (-3.2A) 017 A 201 ( 4.0A) 017 A 202 (-2.9A) 017 A 201 ( 3.5A) 017 A 202 (-4.0A)	0.41A	2hs2A-3u7sA: 18.5	2hs2A-3u7sA: 75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3uhl	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 PRO A 81 VAL A 82	None	0.44A	2hs2A-3uhlA: 15.4	2hs2A-3uhlA: 79.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4aef	NEOPULLULANASE (ALPHA-AMYLASE II) (Pyrococcus furiosus)	PF00128 (Alpha-amylase) PF02903 (Alpha-amylase_N) PF16561 (AMPK1_CBM)	5	GLY A 528 GLY A 452 ILE A 435 PRO A 201 ILE A 205	None	1.00A	2hs2A-4aefA: undetectable	2hs2A-4aefA: 9.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4g1p	CYS-GLY METALLODIPEPTIDASE DUG1 (Saccharomyces cerevisiae)	PF01546 (Peptidase_M20) PF07687 (M20_dimer)	5	LEU A 121 GLY A 140 ASP A 138 ASP A 137 GLY A 443	None None None ZN A 501 (-2.3A) None	0.95A	2hs2A-4g1pA: undetectable	2hs2A-4g1pA: 12.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4iqy	O-ACETYL-ADP-RIBOSE DEACETYLASE MACROD2 (Homo sapiens)	PF01661 (Macro)	5	GLY A 191 ALA A 149 GLY A 146 ILE A 185 ILE A 153	None	0.84A	2hs2A-4iqyA: undetectable	2hs2A-4iqyA: 18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4k5u	VARIABLE LYMPHOCYTE RECEPTOR (Petromyzon marinus)	no annotation	5	GLY B 63 GLY B 18 PRO B 25 VAL B 24 ILE B 42	None	0.96A	2hs2A-4k5uB: undetectable	2hs2A-4k5uB: 16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4kpn	NUCLEOSIDE N-RIBOHYDROLASE 1 (Physcomitrella patens)	PF01156 (IU_nuc_hydro)	5	GLY A 27 ASP A 29 GLY A 142 ILE A 51 ILE A 34	None CA A 400 ( 4.5A) CA A 400 ( 4.4A) None None	0.79A	2hs2A-4kpnA: undetectable	2hs2A-4kpnA: 18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4kpo	NUCLEOSIDE N-RIBOHYDROLASE 3 (Zea mays)	PF01156 (IU_nuc_hydro)	5	GLY A 10 ASP A 12 GLY A 124 ILE A 34 ILE A 17	None CA A 401 ( 4.8A) CA A 401 ( 4.3A) None None	0.77A	2hs2A-4kpoA: undetectable	2hs2A-4kpoA: 18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4lvc	S-ADENOSYL-L-HOMOCYS TEINE HYDROLASE (SAHASE) (Bradyrhizobium elkanii)	PF00670 (AdoHcyase_NAD) PF05221 (AdoHcyase)	5	LEU A 240 ALA A 316 ILE A 323 VAL A 384 ILE A 340	None None None None NAD A 503 (-4.3A)	0.89A	2hs2A-4lvcA: undetectable	2hs2A-4lvcA: 11.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	5	ALA A 28 ASP A 29 ASP A 30 GLY A 48 ILE A 84	RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) RIT A 500 (-4.8A) RIT A 500 (-4.3A)	0.63A	2hs2A-4njvA: 18.4	2hs2A-4njvA: 83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None RIT A 500 (-2.4A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-3.4A) RIT A 500 (-4.3A)	1.28A	2hs2A-4njvA: 18.4	2hs2A-4njvA: 83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 PRO A 81 ILE A 84	None RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) RIT A 500 (-3.9A) RIT A 500 (-4.3A)	0.62A	2hs2A-4njvA: 18.4	2hs2A-4njvA: 83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 49 ILE A 50 PRO A 81 ILE A 84	None RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-3.4A) RIT A 500 (-4.3A) RIT A 500 (-3.9A) RIT A 500 (-4.3A)	0.58A	2hs2A-4njvA: 18.4	2hs2A-4njvA: 83.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4r01	PUTATIVE NADH-FLAVIN REDUCTASE (Streptococcus pneumoniae)	PF13460 (NAD_binding_10)	5	LEU A 190 GLY A 13 ALA A 12 GLY A 66 VAL A 148	None	0.82A	2hs2A-4r01A: undetectable	2hs2A-4r01A: 18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4r1u	CINNAMOYL COA REDUCTASE (Medicago truncatula)	PF01370 (Epimerase)	5	GLY A 97 ASP A 59 GLY A 8 VAL A 70 ILE A 66	None	1.01A	2hs2A-4r1uA: undetectable	2hs2A-4r1uA: 13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4w7h	CARBONYL REDUCTASE (Sphingomonas sp. A1)	PF13561 (adh_short_C2)	5	ALA A 167 GLY A 149 ILE A 191 VAL A 122 ILE A 118	None	0.98A	2hs2A-4w7hA: undetectable	2hs2A-4w7hA: 17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4xky	DIHYDRODIPICOLINATE SYNTHASE (Bacteroides thetaiotaomicron)	PF00701 (DHDPS)	5	LEU A 94 GLY A 99 ALA A 100 ASP A 101 ILE A 69	None None None MHO A 1 ( 3.2A) None	0.84A	2hs2A-4xkyA: undetectable	2hs2A-4xkyA: 15.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4ydf	HTLV-1 PROTEASE (Primate T-lymphotropic virus 1)	PF00077 (RVP)	7	LEU A 30 ASP A 32 GLY A 34 ALA A 35 ASP A 36 GLY A 58 ILE A 100	None 4B1 A 201 (-2.9A) 4B1 A 201 ( 4.6A) 4B1 A 201 (-3.6A) 4B1 A 201 (-4.4A) 4B1 A 201 (-3.4A) 4B1 A 201 (-4.8A)	0.50A	2hs2A-4ydfA: 12.6	2hs2A-4ydfA: 32.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5b18	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	GLY A 27 ALA A 28 ASP A 29 ASP A 30 PRO A 81 ILE A 84	None	0.63A	2hs2A-5b18A: 16.6	2hs2A-5b18A: 73.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5bok	FERREDOXIN (Diaphorobacter sp. DS2)	PF00355 (Rieske)	5	GLY A 55 GLY A 21 ILE A 20 VAL A 73 ILE A 62	None	0.99A	2hs2A-5bokA: undetectable	2hs2A-5bokA: 21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5f8z	PLASMA KALLIKREIN LIGHT CHAIN (Homo sapiens)	PF00089 (Trypsin)	5	GLY A 226 ALA A 183 GLY A 211 VAL A 158 ILE A 160	None	0.89A	2hs2A-5f8zA: undetectable	2hs2A-5f8zA: 21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5gp4	GLUTAMATE DECARBOXYLASE (Lactobacillus brevis)	no annotation	5	GLY C 251 ALA C 247 ASP C 246 GLY C 288 ILE C 273	None None PLP C 501 (-2.7A) None None	0.90A	2hs2A-5gp4C: undetectable	2hs2A-5gp4C: 12.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5hs0	ANKYRIN DOMAIN PROTEIN ANK1C4_7 (synthetic construct)	PF12796 (Ank_2)	5	LEU A 121 GLY A 126 ALA A 127 ASP A 128 VAL A 86	None	0.94A	2hs2A-5hs0A: undetectable	2hs2A-5hs0A: 19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5t2z	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 PRO A 81 ILE A 84	None	0.51A	2hs2A-5t2zA: 19.5	2hs2A-5t2zA: 81.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5utu	ADENOSYLHOMOCYSTEINA SE (Cryptosporidium parvum)	PF00670 (AdoHcyase_NAD) PF05221 (AdoHcyase)	5	LEU A 254 ALA A 330 ILE A 337 VAL A 402 ILE A 354	None None None None NAD A 501 (-4.3A)	0.91A	2hs2A-5utuA: undetectable	2hs2A-5utuA: 11.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5v96	S-ADENOSYL-L-HOMOCYS TEINE HYDROLASE (Naegleria fowleri)	PF00670 (AdoHcyase_NAD) PF05221 (AdoHcyase)	5	LEU A 240 ALA A 316 ILE A 323 VAL A 387 ILE A 340	None None None None NAD A 501 (-4.4A)	0.85A	2hs2A-5v96A: undetectable	2hs2A-5v96A: 13.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5vat	PENICILLIN-BINDING PROTEIN ACTIVATOR LPOA (Haemophilus influenzae)	PF04348 (LppC)	6	LEU A 261 GLY A 520 ALA A 523 ASP A 522 GLY A 359 PRO A 319	None	1.32A	2hs2A-5vatA: undetectable	2hs2A-5vatA: 12.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5ve3	BPPRF (Paraburkholderia phytofirmans)	no annotation	5	GLY B 88 ALA B 89 ASP B 90 VAL B 59 ILE B 80	None	0.79A	2hs2A-5ve3B: undetectable	2hs2A-5ve3B: 14.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5vm2	ALCOHOL DEHYDROGENASE (Escherichia coli)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	5	GLY A 237 ALA A 238 ASP A 239 VAL A 199 ILE A 173	None	0.83A	2hs2A-5vm2A: undetectable	2hs2A-5vm2A: 16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5xj1	UNCHARACTERIZED RNA METHYLTRANSFERASE SP_1029 (Streptococcus pneumoniae)	no annotation	5	GLY A 399 ALA A 400 ASP A 401 ILE A 373 ILE A 378	None	1.01A	2hs2A-5xj1A: undetectable	2hs2A-5xj1A: 15.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6fiv	RETROPEPSIN (Feline immunodeficiency virus)	PF00077 (RVP)	7	LEU A 28 ASP A 30 GLY A 32 ALA A 33 ASP A 34 GLY A 58 VAL A 99	None 3TL A 201 (-3.5A) 3TL A 201 (-3.4A) 3TL A 201 (-4.0A) 3TL A 201 (-3.9A) 3TL A 201 (-3.4A) None	0.50A	2hs2A-6fivA: 15.0	2hs2A-6fivA: 29.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6gbn	- (-)	no annotation	5	LEU A 202 ALA A 278 ILE A 285 VAL A 348 ILE A 302	None None None None NAD A 502 (-4.3A)	0.96A	2hs2A-6gbnA: undetectable	2hs2A-6gbnA: undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	5	ASP A 25 ALA A 28 ASP A 30 PRO A 81 ILE A 84	NIU A 100 (-2.8A) NIU A 100 (-3.6A) None None None	0.63A	2hs2A-6upjA: 16.9	2hs2A-6upjA: 49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	6	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49	NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None None NIU A 100 ( 3.8A)	0.66A	2hs2A-6upjA: 16.9	2hs2A-6upjA: 49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	6	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 ILE A 84	NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None None None	0.45A	2hs2A-6upjA: 16.9	2hs2A-6upjA: 49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	5	GLY A 27 ASP A 29 ASP A 30 GLY A 49 ILE A 50	NIU A 100 (-4.5A) None None NIU A 100 ( 3.8A) NIU A 100 (-3.9A)	0.79A	2hs2A-6upjA: 16.9	2hs2A-6upjA: 49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 29 ASP A 30 GLY A 49	None NIU A 100 (-2.8A) NIU A 100 (-3.6A) None None NIU A 100 ( 3.8A)	0.75A	2hs2A-6upjA: 16.9	2hs2A-6upjA: 49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	6	LEU A 23 ASP A 25 ALA A 28 ASP A 30 GLY A 49 PRO A 81	None NIU A 100 (-2.8A) NIU A 100 (-3.6A) None NIU A 100 ( 3.8A) None	0.72A	2hs2A-6upjA: 16.9	2hs2A-6upjA: 49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	5	LEU A 23 ASP A 29 ASP A 30 GLY A 49 ILE A 50	None None None NIU A 100 ( 3.8A) NIU A 100 (-3.9A)	0.98A	2hs2A-6upjA: 16.9	2hs2A-6upjA: 49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	5	LEU A 23 ASP A 30 GLY A 49 ILE A 50 PRO A 81	None None NIU A 100 ( 3.8A) NIU A 100 (-3.9A) None	0.94A	2hs2A-6upjA: 16.9	2hs2A-6upjA: 49.49

[["2HS2_A_017A201_1","1civ","Flaveria bidentis","NADP-MALATE DEHYDROGENASE","PF00056(Ldh_1_N);PF02866(Ldh_1_C)",5,"LEU A  62;GLY A  69;ASP A  71;VAL A  45;ILE A  74","None","0.96A","2hs2A-1civA:undetectable","2hs2A-1civA:14.62"],["2HS2_A_017A201_1","1h2b","Aeropyrum pernix","ALCOHOL DEHYDROGENASE","PF00107(ADH_zinc_N);PF08240(ADH_N)",5,"GLY A  52;ALA A  51;GLY A 130;VAL A  46;ILE A  48","None","0.96A","2hs2A-1h2bA:undetectable","2hs2A-1h2bA:13.37"],["2HS2_A_017A201_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ALA A  28;ASP A  29;GLY A  48;PRO A  81;VAL A  82","A79 A 800 ( 4.0A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 (-4.1A);A79 A 800 ( 3.4A);A79 A 800 (-4.5A)","0.91A","2hs2A-1hvcA:13.1","2hs2A-1hvcA:46.31"],["2HS2_A_017A201_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","A79 A 800 ( 3.8A);A79 A 800 (-2.7A);A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 3.7A);A79 A 800 (-3.8A)","1.22A","2hs2A-1hvcA:13.1","2hs2A-1hvcA:46.31"],["2HS2_A_017A201_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 (-3.4A);A79 A 800 ( 4.0A)","1.22A","2hs2A-1hvcA:13.1","2hs2A-1hvcA:46.31"],["2HS2_A_017A201_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;ALA A  28;ASP A  30;GLY A  49;PRO A  81;VAL A  82","A79 A 800 ( 3.8A);A79 A 800 (-2.7A);A79 A 800 (-3.1A);A79 A 800 ( 4.9A);A79 A 800 ( 3.7A);A79 A 800 ( 3.9A);A79 A 800 (-4.5A)","0.59A","2hs2A-1hvcA:13.1","2hs2A-1hvcA:46.31"],["2HS2_A_017A201_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;ALA A  28;ASP A  30;PRO A  81;VAL A  82;ILE A  84","A79 A 800 ( 3.8A);A79 A 800 (-2.7A);A79 A 800 (-3.1A);A79 A 800 ( 4.9A);A79 A 800 ( 3.9A);A79 A 800 (-4.5A);A79 A 800 (-3.6A)","0.69A","2hs2A-1hvcA:13.1","2hs2A-1hvcA:46.31"],["2HS2_A_017A201_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;PRO A  81;VAL A  82","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.0A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 ( 4.7A);A79 A 800 (-3.4A);A79 A 800 ( 4.0A);A79 A 800 ( 3.4A);A79 A 800 (-4.5A)","0.44A","2hs2A-1hvcA:13.1","2hs2A-1hvcA:46.31"],["2HS2_A_017A201_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;VAL A  82","A79 A 800 ( 3.8A);A79 A 800 (-2.7A);A79 A 800 (-3.0A);A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 4.9A);A79 A 800 ( 3.7A);A79 A 800 (-3.8A);A79 A 800 (-4.5A)","0.43A","2hs2A-1hvcA:13.1","2hs2A-1hvcA:46.31"],["2HS2_A_017A201_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  50;PRO A  81;VAL A  82;ILE A  84","A79 A 800 ( 4.0A);A79 A 800 (-2.8A);A79 A 800 (-3.0A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 ( 4.7A);A79 A 800 ( 4.0A);A79 A 800 ( 3.4A);A79 A 800 (-4.5A);A79 A 800 (-3.8A)","0.56A","2hs2A-1hvcA:13.1","2hs2A-1hvcA:46.31"],["2HS2_A_017A201_1","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  50;VAL A  82;ILE A  84","A79 A 800 ( 3.8A);A79 A 800 (-2.7A);A79 A 800 (-3.0A);A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 4.9A);A79 A 800 (-3.8A);A79 A 800 (-4.5A);A79 A 800 (-3.6A)","0.54A","2hs2A-1hvcA:13.1","2hs2A-1hvcA:46.31"],["2HS2_A_017A201_1","1j2b","Pyrococcus horikoshii","ARCHAEOSINE TRNA-GUANINE TRANSGLYCOSYLASE","PF01472(PUA);PF01702(TGT);PF14809(TGT_C1);PF14810(TGT_C2)",5,"ASP A 535;GLY A 537;ASP A 542;GLY A 449;PRO A 504","None","0.76A","2hs2A-1j2bA:undetectable","2hs2A-1j2bA:11.94"],["2HS2_A_017A201_1","1kae","Escherichia coli","HISTIDINOL DEHYDROGENASE","PF00815(Histidinol_dh)",5,"GLY A 227;ALA A 228;ASP A 204;GLY A 196;ILE A 206","None","0.93A","2hs2A-1kaeA:undetectable","2hs2A-1kaeA:11.83"],["2HS2_A_017A201_1","1o9b","Escherichia coli","HYPOTHETICAL SHIKIMATE 5-DEHYDROGENASE-LIKE PROTEIN YDIB","PF08501(Shikimate_dh_N)",5,"LEU A 129;GLY A 143;ALA A 144;GLY A 124;ILE A 151","None","0.97A","2hs2A-1o9bA:undetectable","2hs2A-1o9bA:18.73"],["2HS2_A_017A201_1","1q9p","Homo sapiens","HIV-1 PROTEASE","PF00077(RVP)",6,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  84","None","0.53A","2hs2A-1q9pA:9.7","2hs2A-1q9pA:98.95"],["2HS2_A_017A201_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",10,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;PRO A  81;ILE A  84","None","0.55A","2hs2A-1sivA:17.7","2hs2A-1sivA:51.96"],["2HS2_A_017A201_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",7,"ARG A   8;LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","None","1.38A","2hs2A-1sivA:17.7","2hs2A-1sivA:51.96"],["2HS2_A_017A201_1","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",10,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;PRO A  81","None","0.43A","2hs2A-1sivA:17.7","2hs2A-1sivA:51.96"],["2HS2_A_017A201_1","1tcs","Trichosanthes kirilowii","TRICHOSANTHIN","PF00161(RIP)",5,"LEU A 215;GLY A 231;ALA A 230;VAL A 213;ILE A 225","None","0.96A","2hs2A-1tcsA:undetectable","2hs2A-1tcsA:16.87"],["2HS2_A_017A201_1","1tjr","Zea mays","BX1","PF00290(Trp_syntA)",5,"GLY A 307;ALA A 308;ASP A 309;VAL A 269;ILE A 303","None","0.86A","2hs2A-1tjrA:undetectable","2hs2A-1tjrA:19.59"],["2HS2_A_017A201_1","1u2e","Escherichia coli","2-HYDROXY-6-KETONONA-2,4-DIENEDIOIC ACID HYDROLASE","PF12697(Abhydrolase_6)",5,"LEU A 281;GLY A  61;ALA A  60;ILE A  54;VAL A 277","None","0.94A","2hs2A-1u2eA:undetectable","2hs2A-1u2eA:20.36"],["2HS2_A_017A201_1","1w3f","Laetiporus sulphureus","HEMOLYTIC LECTIN FROM LAETIPORUS SULPHUREUS","PF03318(ETX_MTX2)",5,"GLY A 241;GLY A 296;ILE A 297;PRO A 221;VAL A 220","None","0.99A","2hs2A-1w3fA:undetectable","2hs2A-1w3fA:16.53"],["2HS2_A_017A201_1","1zno","Vibrio cholerae","HYPOTHETICAL UPF0244 PROTEIN VC0702","PF01931(NTPase_I-T)",5,"ARG A  74;GLY A  77;ALA A  78;VAL A  44;ILE A  14","None","0.83A","2hs2A-1znoA:undetectable","2hs2A-1znoA:18.39"],["2HS2_A_017A201_1","2fja","Archaeoglobus fulgidus","ADENYLYLSULFATE REDUCTASE, SUBUNIT A","PF00890(FAD_binding_2);PF02910(Succ_DH_flav_C)",5,"LEU A  54;GLY A  36;ALA A  37;GLY A 438;ILE A  27","None;None;None;FAD A1000 (-3.5A);None","0.76A","2hs2A-2fjaA:undetectable","2hs2A-2fjaA:10.17"],["2HS2_A_017A201_1","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  55;PRO A  86;VAL A  87;ILE A  89","None;LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);LP1 A 201 (-3.6A);LP1 A 201 (-3.4A);LP1 A 201 (-3.9A);LP1 A 201 ( 4.9A);LP1 A 201 (-4.2A)","0.40A","2hs2A-2fmbA:14.9","2hs2A-2fmbA:33.96"],["2HS2_A_017A201_1","2fpg","Sus scrofa","SUCCINYL-COA LIGASE [GDP-FORMING] BETA-CHAIN, MITOCHONDRIAL","PF00549(Ligase_CoA);PF08442(ATP-grasp_2)",5,"LEU B  88;GLY B  52;ALA B  51;VAL B 100;ILE B  49","None;GDP B 397 (-3.4A);None;None;None","1.00A","2hs2A-2fpgB:undetectable","2hs2A-2fpgB:13.92"],["2HS2_A_017A201_1","2hzg","Rhodobacter sphaeroides","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME\/ENOLASE SUPERFAMILY","PF02746(MR_MLE_N);PF13378(MR_MLE_C)",5,"LEU A 310;ALA A  28;ASP A  27;VAL A 366;ILE A 341","None","1.00A","2hs2A-2hzgA:undetectable","2hs2A-2hzgA:12.66"],["2HS2_A_017A201_1","2isq","Arabidopsis thaliana","CYSTEINE SYNTHASE","PF00291(PALP)",5,"GLY A 190;ALA A 189;GLY A 183;ILE A 180;PRO A 296","None;None;PLP A 400 (-3.4A);PLP A 400 (-4.9A);PLP A 400 (-4.0A)","0.78A","2hs2A-2isqA:undetectable","2hs2A-2isqA:15.72"],["2HS2_A_017A201_1","2p2s","Pectobacterium atrosepticum","PUTATIVE OXIDOREDUCTASE","PF01408(GFO_IDH_MocA);PF02894(GFO_IDH_MocA_C)",5,"LEU A 250;GLY A 136;ALA A 135;ILE A 127;ILE A 261","None","0.96A","2hs2A-2p2sA:undetectable","2hs2A-2p2sA:14.98"],["2HS2_A_017A201_1","2p50","Escherichia coli","N-ACETYLGLUCOSAMINE-6-PHOSPHATE DEACETYLASE","PF01979(Amidohydro_1)",6,"LEU A 184;ALA A 163;ASP A 164;GLY A 127;VAL A 191;ILE A 189","None","1.06A","2hs2A-2p50A:undetectable","2hs2A-2p50A:14.56"],["2HS2_A_017A201_1","2q2r","Trypanosoma cruzi","GLUCOKINASE 1, PUTATIVE","PF02685(Glucokinase)",5,"LEU A 179;GLY A 188;ASP A 131;GLY A 306;ILE A 309","None;BGC A1001 (-3.5A);BGC A1001 (-3.0A);None;None","0.98A","2hs2A-2q2rA:undetectable","2hs2A-2q2rA:14.96"],["2HS2_A_017A201_1","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",5,"ALA A  28;ASP A  29;GLY A  48;PRO A  81;ILE A  84","AB1 A 501 (-3.5A);AB1 A 501 ( 3.3A);AB1 A 501 (-4.2A);AB1 A 501 (-4.2A);AB1 A 501 ( 4.2A)","0.86A","2hs2A-2rkfA:19.4","2hs2A-2rkfA:82.83"],["2HS2_A_017A201_1","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;PRO A  81;ILE A  84","None;AB1 A 501 (-2.4A);AB1 A 501 (-3.9A);AB1 A 501 (-3.5A);AB1 A 501 ( 3.3A);AB1 A 501 (-3.8A);AB1 A 501 (-3.5A);AB1 A 501 (-3.8A);AB1 A 501 (-4.2A);AB1 A 501 ( 4.2A)","0.57A","2hs2A-2rkfA:19.4","2hs2A-2rkfA:82.83"],["2HS2_A_017A201_1","2rsp","Rous sarcoma virus","RSV PROTEASE","PF00077(RVP)",6,"LEU A  35;ASP A  37;GLY A  39;ALA A  40;ASP A  41;ILE A 108","None","0.24A","2hs2A-2rspA:12.7","2hs2A-2rspA:32.26"],["2HS2_A_017A201_1","2v6b","Deinococcus radiodurans","L-LACTATE DEHYDROGENASE","PF00056(Ldh_1_N);PF02866(Ldh_1_C)",5,"LEU A 136;GLY A 251;ALA A  36;VAL A  93;ILE A  95","None","0.93A","2hs2A-2v6bA:undetectable","2hs2A-2v6bA:13.16"],["2HS2_A_017A201_1","2zuf","Pyrococcus horikoshii","ARGINYL-TRNA SYNTHETASE","PF00750(tRNA-synt_1d);PF03485(Arg_tRNA_synt_N);PF05746(DALR_1)",5,"LEU A 620;GLY A 564;ALA A 563;ASP A 566;ILE A 572","None;None;None;  A B 917 ( 4.9A);None","0.94A","2hs2A-2zufA:undetectable","2hs2A-2zufA:10.53"],["2HS2_A_017A201_1","3bl5","Bacillus subtilis","QUEUOSINE BIOSYNTHESIS PROTEIN QUEC","PF06508(QueC)",5,"LEU A 108;GLY A 113;ALA A 114;VAL A  33;ILE A   7","None","0.97A","2hs2A-3bl5A:undetectable","2hs2A-3bl5A:17.04"],["2HS2_A_017A201_1","3dbg","Streptomyces coelicolor","PUTATIVE CYTOCHROME P450","PF00067(p450)",5,"GLY A 359;ALA A 360;ASP A 361;PRO A  24;ILE A 356","None","0.78A","2hs2A-3dbgA:undetectable","2hs2A-3dbgA:11.56"],["2HS2_A_017A201_1","3glq","Burkholderia pseudomallei","ADENOSYLHOMOCYSTEINASE","PF00670(AdoHcyase_NAD);PF05221(AdoHcyase)",5,"LEU A 242;ALA A 318;ILE A 325;VAL A 386;ILE A 342","None;None;None;None;NAD A 601 (-4.3A)","0.92A","2hs2A-3glqA:undetectable","2hs2A-3glqA:14.07"],["2HS2_A_017A201_1","3hh1","Chlorobaculum tepidum","TETRAPYRROLE METHYLASE FAMILY PROTEIN","PF00590(TP_methylase)",5,"LEU A  79;GLY A 111;ALA A 110;VAL A  75;ILE A  76","None","1.00A","2hs2A-3hh1A:undetectable","2hs2A-3hh1A:23.20"],["2HS2_A_017A201_1","3ju7","Bacillus cereus","PUTATIVE PLP-DEPENDENT AMINOTRANSFERASE","PF01041(DegT_DnrJ_EryC1)",5,"GLY A 164;ALA A 161;ASP A 160;GLY A 198;ILE A 182","None;None;LLP A 190 ( 2.8A);None;None","0.96A","2hs2A-3ju7A:undetectable","2hs2A-3ju7A:17.92"],["2HS2_A_017A201_1","3jv7","Rhodococcus ruber","ADH-A","PF00107(ADH_zinc_N);PF08240(ADH_N)",5,"LEU A 211;GLY A 216;ALA A 217;ASP A 218;ILE A 190","None","0.68A","2hs2A-3jv7A:undetectable","2hs2A-3jv7A:16.47"],["2HS2_A_017A201_1","3lsc","Paenarthrobacter aurescens","TRIAZINE HYDROLASE","PF01979(Amidohydro_1)",5,"LEU A 383;ALA A 389;ILE A  48;VAL A  35;ILE A  32","None","0.96A","2hs2A-3lscA:undetectable","2hs2A-3lscA:12.28"],["2HS2_A_017A201_1","3lxd","Novosphingobium aromaticivorans","FAD-DEPENDENT PYRIDINE NUCLEOTIDE-DISULPHIDE OXIDOREDUCTASE","PF07992(Pyr_redox_2);PF14759(Reductase_C)",5,"LEU A 301;ALA A 294;ASP A 295;GLY A 348;ILE A 299","None","0.90A","2hs2A-3lxdA:undetectable","2hs2A-3lxdA:13.55"],["2HS2_A_017A201_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"ALA A  28;ASP A  29;ASP A  30;GLY A  48;PRO A  81;VAL A  82;ILE A  84","None","0.87A","2hs2A-3mwsA:18.6","2hs2A-3mwsA:78.79"],["2HS2_A_017A201_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;PRO A  81;VAL A  82;ILE A  84","None","0.65A","2hs2A-3mwsA:18.6","2hs2A-3mwsA:78.79"],["2HS2_A_017A201_1","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",11,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  49;ILE A  50;PRO A  81;VAL A  82;ILE A  84","None","0.53A","2hs2A-3mwsA:18.6","2hs2A-3mwsA:78.79"],["2HS2_A_017A201_1","3opy","Komagataella pastoris","6-PHOSPHOFRUCTO-1-KINASE ALPHA-SUBUNIT","PF00365(PFK)",5,"GLY A 419;ALA A 420;ASP A 421;VAL A 402;ILE A 457","None","0.85A","2hs2A-3opyA:undetectable","2hs2A-3opyA:7.92"],["2HS2_A_017A201_1","3slz","Murine leukemia virus","GAG-PRO-POL POLYPROTEIN","PF00077(RVP)",5,"LEU A  30;ASP A  32;GLY A  34;ALA A  35;GLY A  56","None;3TL A 126 (-2.4A);3TL A 126 (-3.1A);3TL A 126 ( 4.0A);3TL A 126 (-3.4A)","0.24A","2hs2A-3slzA:11.0","2hs2A-3slzA:25.95"],["2HS2_A_017A201_1","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"ARG A   8;ASP A  25;ALA A  28;ASP A  30;GLY A  49;ILE A  50","SO4 A 101 (-3.8A);017 A 201 (-2.6A);017 A 201 (-3.5A);017 A 201 (-4.2A);017 A 201 (-4.0A);017 A 201 (-3.3A)","1.46A","2hs2A-3t3cA:17.7","2hs2A-3t3cA:73.74"],["2HS2_A_017A201_1","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50","SO4 A 101 (-3.8A);017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.5A);017 A 201 (-3.5A);017 A 201 (-4.2A);017 A 201 (-4.0A);017 A 201 (-3.3A)","0.48A","2hs2A-3t3cA:17.7","2hs2A-3t3cA:73.74"],["2HS2_A_017A201_1","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;PRO A  81","SO4 A 101 (-3.8A);017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.5A);017 A 201 (-3.5A);017 A 201 (-4.2A);017 A 201 (-4.0A);None","0.63A","2hs2A-3t3cA:17.7","2hs2A-3t3cA:73.74"],["2HS2_A_017A201_1","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  30;GLY A  49;ILE A  50","SO4 A 101 (-4.2A);017 A 201 (-2.6A);017 A 201 (-3.5A);017 A 201 (-4.2A);017 A 201 (-4.0A);017 A 201 (-3.3A)","1.28A","2hs2A-3t3cA:17.7","2hs2A-3t3cA:73.74"],["2HS2_A_017A201_1","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50","SO4 A 101 (-4.2A);017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.5A);017 A 201 (-3.5A);017 A 201 (-4.2A);017 A 201 (-4.0A);017 A 201 (-3.3A)","0.38A","2hs2A-3t3cA:17.7","2hs2A-3t3cA:73.74"],["2HS2_A_017A201_1","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;PRO A  81","SO4 A 101 (-4.2A);017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.5A);017 A 201 (-3.5A);017 A 201 (-4.2A);017 A 201 (-4.0A);None","0.54A","2hs2A-3t3cA:17.7","2hs2A-3t3cA:73.74"],["2HS2_A_017A201_1","3t4w","Sulfitobacter sp. NAS-14.1","MANDELATE RACEMASE\/MUCONATE LACTONIZING ENZYME FAMILY PROTEIN","PF02746(MR_MLE_N);PF13378(MR_MLE_C)",5,"GLY A  92;ALA A  93;ILE A  99;VAL A   8;ILE A  54","None","0.94A","2hs2A-3t4wA:undetectable","2hs2A-3t4wA:13.00"],["2HS2_A_017A201_1","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  49;ILE A  50;PRO A  81","017 A 201 ( 4.8A);None;017 A 201 (-2.6A);017 A 201 (-3.6A);017 A 201 (-3.4A);017 A 201 (-3.3A);017 A 201 (-3.0A);017 A 201 (-3.3A);017 A 201 (-4.1A)","0.44A","2hs2A-3ttpA:18.5","2hs2A-3ttpA:75.76"],["2HS2_A_017A201_1","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;PRO A  81;ILE A  84","None;017 A 201 (-2.6A);017 A 201 (-3.6A);017 A 201 (-3.4A);017 A 201 (-3.3A);017 A 201 (-4.6A);017 A 201 (-3.0A);017 A 201 (-3.3A);017 A 201 (-4.1A);017 A 201 (-4.7A)","0.55A","2hs2A-3ttpA:18.5","2hs2A-3ttpA:75.76"],["2HS2_A_017A201_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",7,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;GLY A  49;ILE A  50;PRO A  81","None;None;017 A 202 ( 2.5A);017 A 201 ( 3.5A);017 A 202 (-2.9A);017 A 201 ( 3.5A);017 A 202 (-4.0A)","0.57A","2hs2A-3u7sA:18.5","2hs2A-3u7sA:75.76"],["2HS2_A_017A201_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  30;GLY A  49;ILE A  50","None;017 A 202 ( 2.5A);017 A 201 (-3.4A);017 A 201 ( 4.0A);017 A 202 (-2.9A);017 A 201 ( 3.5A)","1.34A","2hs2A-3u7sA:18.5","2hs2A-3u7sA:75.76"],["2HS2_A_017A201_1","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;PRO A  81","None;017 A 202 ( 2.5A);017 A 201 ( 3.5A);017 A 201 (-3.4A);017 A 201 (-3.2A);017 A 201 ( 4.0A);017 A 202 (-2.9A);017 A 201 ( 3.5A);017 A 202 (-4.0A)","0.41A","2hs2A-3u7sA:18.5","2hs2A-3u7sA:75.76"],["2HS2_A_017A201_1","3uhl","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;PRO A  81;VAL A  82","None","0.44A","2hs2A-3uhlA:15.4","2hs2A-3uhlA:79.80"],["2HS2_A_017A201_1","4aef","Pyrococcus furiosus","NEOPULLULANASE (ALPHA-AMYLASE II)","PF00128(Alpha-amylase);PF02903(Alpha-amylase_N);PF16561(AMPK1_CBM)",5,"GLY A 528;GLY A 452;ILE A 435;PRO A 201;ILE A 205","None","1.00A","2hs2A-4aefA:undetectable","2hs2A-4aefA:9.26"],["2HS2_A_017A201_1","4g1p","Saccharomyces cerevisiae","CYS-GLY METALLODIPEPTIDASE DUG1","PF01546(Peptidase_M20);PF07687(M20_dimer)",5,"LEU A 121;GLY A 140;ASP A 138;ASP A 137;GLY A 443","None;None;None; ZN A 501 (-2.3A);None","0.95A","2hs2A-4g1pA:undetectable","2hs2A-4g1pA:12.47"],["2HS2_A_017A201_1","4iqy","Homo sapiens","O-ACETYL-ADP-RIBOSE DEACETYLASE MACROD2","PF01661(Macro)",5,"GLY A 191;ALA A 149;GLY A 146;ILE A 185;ILE A 153","None","0.84A","2hs2A-4iqyA:undetectable","2hs2A-4iqyA:18.81"],["2HS2_A_017A201_1","4k5u","Petromyzon marinus","VARIABLE LYMPHOCYTE RECEPTOR","no annotation",5,"GLY B  63;GLY B  18;PRO B  25;VAL B  24;ILE B  42","None","0.96A","2hs2A-4k5uB:undetectable","2hs2A-4k5uB:16.59"],["2HS2_A_017A201_1","4kpn","Physcomitrella patens","NUCLEOSIDE N-RIBOHYDROLASE 1","PF01156(IU_nuc_hydro)",5,"GLY A  27;ASP A  29;GLY A 142;ILE A  51;ILE A  34","None; CA A 400 ( 4.5A); CA A 400 ( 4.4A);None;None","0.79A","2hs2A-4kpnA:undetectable","2hs2A-4kpnA:18.08"],["2HS2_A_017A201_1","4kpo","Zea mays","NUCLEOSIDE N-RIBOHYDROLASE 3","PF01156(IU_nuc_hydro)",5,"GLY A  10;ASP A  12;GLY A 124;ILE A  34;ILE A  17","None; CA A 401 ( 4.8A); CA A 401 ( 4.3A);None;None","0.77A","2hs2A-4kpoA:undetectable","2hs2A-4kpoA:18.78"],["2HS2_A_017A201_1","4lvc","Bradyrhizobium elkanii","S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE (SAHASE)","PF00670(AdoHcyase_NAD);PF05221(AdoHcyase)",5,"LEU A 240;ALA A 316;ILE A 323;VAL A 384;ILE A 340","None;None;None;None;NAD A 503 (-4.3A)","0.89A","2hs2A-4lvcA:undetectable","2hs2A-4lvcA:11.76"],["2HS2_A_017A201_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",5,"ALA A  28;ASP A  29;ASP A  30;GLY A  48;ILE A  84","RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.8A);RIT A 500 (-4.8A);RIT A 500 (-4.3A)","0.63A","2hs2A-4njvA:18.4","2hs2A-4njvA:83.84"],["2HS2_A_017A201_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","None;RIT A 500 (-2.4A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-3.4A);RIT A 500 (-4.3A)","1.28A","2hs2A-4njvA:18.4","2hs2A-4njvA:83.84"],["2HS2_A_017A201_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",8,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;PRO A  81;ILE A  84","None;RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.8A);RIT A 500 (-3.9A);RIT A 500 (-4.3A)","0.62A","2hs2A-4njvA:18.4","2hs2A-4njvA:83.84"],["2HS2_A_017A201_1","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",9,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  49;ILE A  50;PRO A  81;ILE A  84","None;RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-3.4A);RIT A 500 (-4.3A);RIT A 500 (-3.9A);RIT A 500 (-4.3A)","0.58A","2hs2A-4njvA:18.4","2hs2A-4njvA:83.84"],["2HS2_A_017A201_1","4r01","Streptococcus pneumoniae","PUTATIVE NADH-FLAVIN REDUCTASE","PF13460(NAD_binding_10)",5,"LEU A 190;GLY A  13;ALA A  12;GLY A  66;VAL A 148","None","0.82A","2hs2A-4r01A:undetectable","2hs2A-4r01A:18.52"],["2HS2_A_017A201_1","4r1u","Medicago truncatula","CINNAMOYL COA REDUCTASE","PF01370(Epimerase)",5,"GLY A  97;ASP A  59;GLY A   8;VAL A  70;ILE A  66","None","1.01A","2hs2A-4r1uA:undetectable","2hs2A-4r1uA:13.48"],["2HS2_A_017A201_1","4w7h","Sphingomonas sp. A1","CARBONYL REDUCTASE","PF13561(adh_short_C2)",5,"ALA A 167;GLY A 149;ILE A 191;VAL A 122;ILE A 118","None","0.98A","2hs2A-4w7hA:undetectable","2hs2A-4w7hA:17.83"],["2HS2_A_017A201_1","4xky","Bacteroides thetaiotaomicron","DIHYDRODIPICOLINATE SYNTHASE","PF00701(DHDPS)",5,"LEU A  94;GLY A  99;ALA A 100;ASP A 101;ILE A  69","None;None;None;MHO A   1 ( 3.2A);None","0.84A","2hs2A-4xkyA:undetectable","2hs2A-4xkyA:15.67"],["2HS2_A_017A201_1","4ydf","Primate T-lymphotropic virus 1","HTLV-1 PROTEASE","PF00077(RVP)",7,"LEU A  30;ASP A  32;GLY A  34;ALA A  35;ASP A  36;GLY A  58;ILE A 100","None;4B1 A 201 (-2.9A);4B1 A 201 ( 4.6A);4B1 A 201 (-3.6A);4B1 A 201 (-4.4A);4B1 A 201 (-3.4A);4B1 A 201 (-4.8A)","0.50A","2hs2A-4ydfA:12.6","2hs2A-4ydfA:32.17"],["2HS2_A_017A201_1","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"GLY A  27;ALA A  28;ASP A  29;ASP A  30;PRO A  81;ILE A  84","None","0.63A","2hs2A-5b18A:16.6","2hs2A-5b18A:73.74"],["2HS2_A_017A201_1","5bok","Diaphorobacter sp. DS2","FERREDOXIN","PF00355(Rieske)",5,"GLY A  55;GLY A  21;ILE A  20;VAL A  73;ILE A  62","None","0.99A","2hs2A-5bokA:undetectable","2hs2A-5bokA:21.10"],["2HS2_A_017A201_1","5f8z","Homo sapiens","PLASMA KALLIKREIN LIGHT CHAIN","PF00089(Trypsin)",5,"GLY A 226;ALA A 183;GLY A 211;VAL A 158;ILE A 160","None","0.89A","2hs2A-5f8zA:undetectable","2hs2A-5f8zA:21.08"],["2HS2_A_017A201_1","5gp4","Lactobacillus brevis","GLUTAMATE DECARBOXYLASE","no annotation",5,"GLY C 251;ALA C 247;ASP C 246;GLY C 288;ILE C 273","None;None;PLP C 501 (-2.7A);None;None","0.90A","2hs2A-5gp4C:undetectable","2hs2A-5gp4C:12.75"],["2HS2_A_017A201_1","5hs0","synthetic construct","ANKYRIN DOMAIN PROTEIN ANK1C4_7","PF12796(Ank_2)",5,"LEU A 121;GLY A 126;ALA A 127;ASP A 128;VAL A  86","None","0.94A","2hs2A-5hs0A:undetectable","2hs2A-5hs0A:19.64"],["2HS2_A_017A201_1","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",10,"LEU A  23;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;PRO A  81;ILE A  84","None","0.51A","2hs2A-5t2zA:19.5","2hs2A-5t2zA:81.82"],["2HS2_A_017A201_1","5utu","Cryptosporidium parvum","ADENOSYLHOMOCYSTEINASE","PF00670(AdoHcyase_NAD);PF05221(AdoHcyase)",5,"LEU A 254;ALA A 330;ILE A 337;VAL A 402;ILE A 354","None;None;None;None;NAD A 501 (-4.3A)","0.91A","2hs2A-5utuA:undetectable","2hs2A-5utuA:11.86"],["2HS2_A_017A201_1","5v96","Naegleria fowleri","S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE","PF00670(AdoHcyase_NAD);PF05221(AdoHcyase)",5,"LEU A 240;ALA A 316;ILE A 323;VAL A 387;ILE A 340","None;None;None;None;NAD A 501 (-4.4A)","0.85A","2hs2A-5v96A:undetectable","2hs2A-5v96A:13.43"],["2HS2_A_017A201_1","5vat","Haemophilus influenzae","PENICILLIN-BINDING PROTEIN ACTIVATOR LPOA","PF04348(LppC)",6,"LEU A 261;GLY A 520;ALA A 523;ASP A 522;GLY A 359;PRO A 319","None","1.32A","2hs2A-5vatA:undetectable","2hs2A-5vatA:12.42"],["2HS2_A_017A201_1","5ve3","Paraburkholderia phytofirmans","BPPRF","no annotation",5,"GLY B  88;ALA B  89;ASP B  90;VAL B  59;ILE B  80","None","0.79A","2hs2A-5ve3B:undetectable","2hs2A-5ve3B:14.25"],["2HS2_A_017A201_1","5vm2","Escherichia coli","ALCOHOL DEHYDROGENASE","PF00107(ADH_zinc_N);PF08240(ADH_N)",5,"GLY A 237;ALA A 238;ASP A 239;VAL A 199;ILE A 173","None","0.83A","2hs2A-5vm2A:undetectable","2hs2A-5vm2A:16.55"],["2HS2_A_017A201_1","5xj1","Streptococcus pneumoniae","UNCHARACTERIZED RNA METHYLTRANSFERASE SP_1029","no annotation",5,"GLY A 399;ALA A 400;ASP A 401;ILE A 373;ILE A 378","None","1.01A","2hs2A-5xj1A:undetectable","2hs2A-5xj1A:15.00"],["2HS2_A_017A201_1","6fiv","Feline immunodeficiency virus","RETROPEPSIN","PF00077(RVP)",7,"LEU A  28;ASP A  30;GLY A  32;ALA A  33;ASP A  34;GLY A  58;VAL A  99","None;3TL A 201 (-3.5A);3TL A 201 (-3.4A);3TL A 201 (-4.0A);3TL A 201 (-3.9A);3TL A 201 (-3.4A);None","0.50A","2hs2A-6fivA:15.0","2hs2A-6fivA:29.75"],["2HS2_A_017A201_1","6gbn","-","-","no annotation",5,"LEU A 202;ALA A 278;ILE A 285;VAL A 348;ILE A 302","None;None;None;None;NAD A 502 (-4.3A)","0.96A","2hs2A-6gbnA:undetectable","2hs2A-6gbnA:undetectable"],["2HS2_A_017A201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",5,"ASP A  25;ALA A  28;ASP A  30;PRO A  81;ILE A  84","NIU A 100 (-2.8A);NIU A 100 (-3.6A);None;None;None","0.63A","2hs2A-6upjA:16.9","2hs2A-6upjA:49.49"],["2HS2_A_017A201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",6,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49","NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;None;NIU A 100 ( 3.8A)","0.66A","2hs2A-6upjA:16.9","2hs2A-6upjA:49.49"],["2HS2_A_017A201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",6,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;ILE A  84","NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;None;None","0.45A","2hs2A-6upjA:16.9","2hs2A-6upjA:49.49"],["2HS2_A_017A201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",5,"GLY A  27;ASP A  29;ASP A  30;GLY A  49;ILE A  50","NIU A 100 (-4.5A);None;None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A)","0.79A","2hs2A-6upjA:16.9","2hs2A-6upjA:49.49"],["2HS2_A_017A201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  29;ASP A  30;GLY A  49","None;NIU A 100 (-2.8A);NIU A 100 (-3.6A);None;None;NIU A 100 ( 3.8A)","0.75A","2hs2A-6upjA:16.9","2hs2A-6upjA:49.49"],["2HS2_A_017A201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",6,"LEU A  23;ASP A  25;ALA A  28;ASP A  30;GLY A  49;PRO A  81","None;NIU A 100 (-2.8A);NIU A 100 (-3.6A);None;NIU A 100 ( 3.8A);None","0.72A","2hs2A-6upjA:16.9","2hs2A-6upjA:49.49"],["2HS2_A_017A201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",5,"LEU A  23;ASP A  29;ASP A  30;GLY A  49;ILE A  50","None;None;None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A)","0.98A","2hs2A-6upjA:16.9","2hs2A-6upjA:49.49"],["2HS2_A_017A201_1","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",5,"LEU A  23;ASP A  30;GLY A  49;ILE A  50;PRO A  81","None;None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A);None","0.94A","2hs2A-6upjA:16.9","2hs2A-6upjA:49.49"]]