SIMILAR PATTERNS OF AMINO ACIDS FOR 2HS2_A_017A201_2

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.	1czi	CHYMOSIN (Bos taurus)	PF00026 (Asp)	5	LEU E 30 ASP E 32 GLY E 34 ASP E 37 ILE E 120	None	0.57A	2hs2B-1cziE: 6.7	2hs2B-1cziE: 17.42
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.	1fob	BETA-1,4-GALACTANASE (Aspergillus aculeatus)	PF07745 (Glyco_hydro_53)	5	GLY A 40 ALA A 39 ASP A 38 ILE A 44 ILE A 328	None	0.89A	2hs2B-1fobA: undetectable	2hs2B-1fobA: 12.80
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	ALA A 28 ASP A 29 GLY A 48 PRO A 81 VAL A 82 ILE A 84	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) A79 A 800 (-3.8A)	0.78A	2hs2B-1hvcA: 14.1	2hs2B-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)	11	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 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 (-3.4A) A79 A 800 ( 4.0A) A79 A 800 ( 3.4A) A79 A 800 (-4.5A) A79 A 800 (-3.8A)	0.46A	2hs2B-1hvcA: 14.1	2hs2B-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 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 ( 3.7A) A79 A 800 (-3.8A) A79 A 800 (-4.5A) A79 A 800 (-3.6A)	0.41A	2hs2B-1hvcA: 14.1	2hs2B-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 PRO A 81 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 ( 3.7A) A79 A 800 ( 3.9A) A79 A 800 (-4.5A) A79 A 800 (-3.6A)	0.47A	2hs2B-1hvcA: 14.1	2hs2B-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.	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	0.81A	2hs2B-1kaeA: undetectable	2hs2B-1kaeA: 11.83
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	0.45A	2hs2B-1q9pA: 10.2	2hs2B-1q9pA: 98.95
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.	1rcq	CATABOLIC ALANINE RACEMASE DADX (Pseudomonas aeruginosa)	PF00842 (Ala_racemase_C) PF01168 (Ala_racemase_N)	5	GLY A 315 ALA A 314 ILE A 265 VAL A 286 ILE A 288	None	0.94A	2hs2B-1rcqA: undetectable	2hs2B-1rcqA: 16.81
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 PRO A 81 ILE A 84	None	0.39A	2hs2B-1sivA: 18.3	2hs2B-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)	9	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	0.41A	2hs2B-1sivA: 18.3	2hs2B-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	2hs2B-1tcsA: undetectable	2hs2B-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	0.78A	2hs2B-1tjrA: undetectable	2hs2B-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.	1to3	PUTATIVE ALDOLASE YIHT (Salmonella enterica)	PF01791 (DeoC)	5	GLY A 188 ALA A 189 ASP A 190 VAL A 127 ILE A 158	None	0.68A	2hs2B-1to3A: undetectable	2hs2B-1to3A: 16.95
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.	1to3	PUTATIVE ALDOLASE YIHT (Salmonella enterica)	PF01791 (DeoC)	5	LEU A 184 GLY A 188 ALA A 189 ASP A 190 ILE A 158	None	0.84A	2hs2B-1to3A: undetectable	2hs2B-1to3A: 16.95
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	0.91A	2hs2B-1w3fA: undetectable	2hs2B-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	2hs2B-1znoA: undetectable	2hs2B-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.	2bc0	NADH OXIDASE (Streptococcus pyogenes)	PF02852 (Pyr_redox_dim) PF07992 (Pyr_redox_2)	5	GLY A 453 ALA A 454 ASP A 456 ILE A 387 ILE A 426	None	0.48A	2hs2B-2bc0A: undetectable	2hs2B-2bc0A: 13.32
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.	2d0o	DIOL DEHYDRATASE-REACTIVA TING FACTOR LARGE SUBUNIT (Klebsiella oxytoca)	PF08841 (DDR)	5	ARG A 375 ASP A 8 GLY A 389 VAL A 385 ILE A 73	None MG A1003 ( 4.1A) None None None	1.05A	2hs2B-2d0oA: undetectable	2hs2B-2d0oA: 9.74
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)	0.25A	2hs2B-2fmbA: 15.0	2hs2B-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.	2g28	PYRUVATE DEHYDROGENASE E1 COMPONENT (Escherichia coli)	PF00456 (Transketolase_N)	5	LEU A 565 GLY A 573 PRO A 594 VAL A 516 ILE A 518	None	0.94A	2hs2B-2g28A: undetectable	2hs2B-2g28A: 8.21
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.	2g4r	MOLYBDOPTERIN BIOSYNTHESIS MOG PROTEIN (Mycobacterium tuberculosis)	PF00994 (MoCF_biosynth)	5	GLY A 115 ASP A 97 GLY A 118 ILE A 125 ILE A 99	None TRS A 301 (-2.8A) None None None	0.86A	2hs2B-2g4rA: undetectable	2hs2B-2g4rA: 19.88
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	1.01A	2hs2B-2hzgA: undetectable	2hs2B-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)	0.75A	2hs2B-2isqA: undetectable	2hs2B-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.	2ph3	3-OXOACYL-[ACYL CARRIER PROTEIN] REDUCTASE (Thermus thermophilus)	PF13561 (adh_short_C2)	5	LEU A 28 GLY A 14 ALA A 9 VAL A 54 ILE A 30	None	0.94A	2hs2B-2ph3A: undetectable	2hs2B-2ph3A: 18.88
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	0.95A	2hs2B-2q2rA: undetectable	2hs2B-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)	0.76A	2hs2B-2rkfA: 20.9	2hs2B-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)	0.43A	2hs2B-2rkfA: 20.9	2hs2B-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)	5	ARG A 10 LEU A 35 ASP A 37 ALA A 40 ILE A 108	None	0.91A	2hs2B-2rspA: 12.7	2hs2B-2rspA: 32.26
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	0.31A	2hs2B-2rspA: 12.7	2hs2B-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.	2wsk	GLYCOGEN DEBRANCHING ENZYME (Escherichia coli)	PF00128 (Alpha-amylase) PF02922 (CBM_48)	5	LEU A 188 GLY A 255 ALA A 254 ILE A 248 ILE A 185	None	0.83A	2hs2B-2wskA: undetectable	2hs2B-2wskA: 8.22
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.	2y23	MYOMESIN (Homo sapiens)	PF07679 (I-set)	5	ASP A1401 GLY A1409 ILE A1410 VAL A1428 ILE A1389	None	0.80A	2hs2B-2y23A: undetectable	2hs2B-2y23A: 17.44
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.	2ynm	LIGHT-INDEPENDENT PROTOCHLOROPHYLLIDE REDUCTASE IRON-SULFUR ATP-BINDING PROTEIN LIGHT-INDEPENDENT PROTOCHLOROPHYLLIDE REDUCTASE SUBUNIT N (Prochlorococcus marinus)	PF00142 (Fer4_NifH) PF00148 (Oxidored_nitro)	5	LEU A 87 ALA C 71 GLY A 126 VAL A 83 ILE A 84	None None SF4 A1302 (-3.9A) None EPE A1298 (-4.9A)	0.97A	2hs2B-2ynmA: undetectable	2hs2B-2ynmA: 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.	3cj1	ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2 (Rattus norvegicus)	PF01150 (GDA1_CD39)	5	GLY A 47 ALA A 46 ASP A 45 VAL A 139 ILE A 82	None	1.05A	2hs2B-3cj1A: undetectable	2hs2B-3cj1A: 12.10
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.	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	0.91A	2hs2B-3dbgA: undetectable	2hs2B-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.	3dqg	HEAT SHOCK 70 KDA PROTEIN F (Caenorhabditis elegans)	PF00012 (HSP70)	5	LEU A 484 ASP A 515 GLY A 517 VAL A 461 ILE A 487	None	0.96A	2hs2B-3dqgA: undetectable	2hs2B-3dqgA: 21.64
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.	3ecd	SERINE HYDROXYMETHYLTRANSFE RASE 2 (Burkholderia pseudomallei)	PF00464 (SHMT)	5	LEU A 295 GLY A 216 ALA A 215 PRO A 370 ILE A 291	None	0.91A	2hs2B-3ecdA: undetectable	2hs2B-3ecdA: 14.40
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.	3egj	N-ACETYLGLUCOSAMINE- 6-PHOSPHATE DEACETYLASE (Vibrio cholerae)	PF01979 (Amidohydro_1)	5	LEU A 181 ASP A 161 GLY A 124 VAL A 188 ILE A 186	None	1.02A	2hs2B-3egjA: undetectable	2hs2B-3egjA: 16.21
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.	3f6m	2-C-METHYL-D-ERYTHRI TOL 2,4-CYCLODIPHOSPHATE SYNTHASE (Yersinia pestis)	PF02542 (YgbB)	5	GLY A 39 ASP A 8 GLY A 147 PRO A 105 ILE A 22	None	0.99A	2hs2B-3f6mA: undetectable	2hs2B-3f6mA: 21.56
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.	3gve	YFKN PROTEIN (Bacillus subtilis)	PF00149 (Metallophos)	5	GLY A 121 ALA A 122 ASP A 123 ILE A 89 ILE A 126	None	0.67A	2hs2B-3gveA: undetectable	2hs2B-3gveA: 14.41
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.	3hdy	UDP-GALACTOPYRANOSE MUTASE (Deinococcus radiodurans)	PF03275 (GLF) PF13450 (NAD_binding_8)	5	LEU A 230 ALA A 49 ILE A 256 VAL A 237 ILE A 235	None	0.94A	2hs2B-3hdyA: undetectable	2hs2B-3hdyA: 13.38
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	0.88A	2hs2B-3hh1A: undetectable	2hs2B-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.	3ir3	3-HYDROXYACYL-THIOES TER DEHYDRATASE 2 (Homo sapiens)	PF01575 (MaoC_dehydratas)	5	ALA A 128 GLY A 156 ILE A 112 VAL A 160 ILE A 140	None	1.01A	2hs2B-3ir3A: undetectable	2hs2B-3ir3A: 19.73
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.	3l2z	BIRA BIFUNCTIONAL PROTEIN (Mycobacterium tuberculosis)	PF02237 (BPL_C) PF03099 (BPL_LplA_LipB)	5	LEU A 153 ALA A 108 ASP A 111 ILE A 199 VAL A 86	None	1.01A	2hs2B-3l2zA: undetectable	2hs2B-3l2zA: 17.90
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.	3l7g	XAA-PRO DIPEPTIDASE (Alteromonas sp.)	PF00557 (Peptidase_M24)	5	LEU A 391 GLY A 415 ALA A 223 GLY A 383 ILE A 387	None	0.99A	2hs2B-3l7gA: undetectable	2hs2B-3l7gA: 10.83
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.	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	0.93A	2hs2B-3lxdA: undetectable	2hs2B-3lxdA: 13.55
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.	3mdo	PUTATIVE PHOSPHORIBOSYLFORMYL GLYCINAMIDINE CYCLO-LIGASE (Parabacteroides distasonis)	PF02769 (AIRS_C)	5	LEU A 251 GLY A 256 ALA A 255 ILE A 319 ILE A 248	None	1.01A	2hs2B-3mdoA: undetectable	2hs2B-3mdoA: 14.40
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.	3mwc	MANDELATE RACEMASE/MUCONATE LACTONIZING PROTEIN (Kosmotoga olearia)	PF02746 (MR_MLE_N) PF13378 (MR_MLE_C)	5	GLY A 310 ALA A 336 ASP A 337 VAL A 363 ILE A 149	None	1.04A	2hs2B-3mwcA: undetectable	2hs2B-3mwcA: 14.44
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)	6	ALA A 28 ASP A 29 ASP A 30 GLY A 48 PRO A 81 ILE A 84	None	0.87A	2hs2B-3mwsA: 20.1	2hs2B-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)	6	ALA A 28 ASP A 29 GLY A 48 PRO A 81 VAL A 82 ILE A 84	None	0.83A	2hs2B-3mwsA: 20.1	2hs2B-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)	7	ARG A 8 LEU A 23 ASP A 25 ASP A 29 GLY A 49 ILE A 50 PRO A 81	None	1.26A	2hs2B-3mwsA: 20.1	2hs2B-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)	9	ARG A 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	0.54A	2hs2B-3mwsA: 20.1	2hs2B-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	0.46A	2hs2B-3mwsA: 20.1	2hs2B-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.	3nd0	SLL0855 PROTEIN (Synechocystis sp. PCC 6803)	PF00654 (Voltage_CLC)	5	ARG A 170 LEU A 112 GLY A 176 ALA A 177 ILE A 108	None	1.05A	2hs2B-3nd0A: undetectable	2hs2B-3nd0A: 15.40
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	0.77A	2hs2B-3opyA: undetectable	2hs2B-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.	3r8y	2,3,4,5-TETRAHYDROPY RIDINE-2,6-DICARBOXY LATE N-ACETYLTRANSFERASE (Bacillus anthracis)	PF00132 (Hexapep) PF08503 (DapH_N) PF14602 (Hexapep_2)	5	ALA A 92 ASP A 108 GLY A 89 VAL A 104 ILE A 106	None	1.00A	2hs2B-3r8yA: undetectable	2hs2B-3r8yA: 19.25
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.	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)	0.32A	2hs2B-3slzA: 11.1	2hs2B-3slzA: 25.95
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 PRO A 89	None 3TL A 126 (-2.4A) 3TL A 126 (-3.1A) 3TL A 126 ( 4.0A) 3TL A 126 (-4.0A)	0.52A	2hs2B-3slzA: 11.1	2hs2B-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)	7	ARG A 8 LEU A 23 ASP A 25 ALA A 28 ASP A 30 GLY A 49 ILE A 50	SO4 A 101 (-3.8A) 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)	1.45A	2hs2B-3t3cA: 18.6	2hs2B-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)	9	ARG A 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 (-3.8A) 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	0.80A	2hs2B-3t3cA: 18.6	2hs2B-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)	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	SO4 A 101 (-3.8A) 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 (-4.0A) 017 A 201 (-3.3A) None	0.80A	2hs2B-3t3cA: 18.6	2hs2B-3t3cA: 73.74
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	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 ILE A 84	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) 017 A 201 (-4.7A)	0.40A	2hs2B-3ttpA: 19.6	2hs2B-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)	0.38A	2hs2B-3ttpA: 19.6	2hs2B-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)	6	ARG A 8 LEU A 23 ASP A 25 GLY A 27 ALA A 28 PRO A 81	None None 017 A 202 ( 2.5A) 017 A 201 ( 3.5A) 017 A 201 (-3.4A) 017 A 202 (-4.0A)	0.48A	2hs2B-3u7sA: 19.9	2hs2B-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)	1.25A	2hs2B-3u7sA: 19.9	2hs2B-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)	0.38A	2hs2B-3u7sA: 19.9	2hs2B-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	0.42A	2hs2B-3uhlA: 16.1	2hs2B-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.	4b2o	YMDB PHOSPHODIESTERASE (Bacillus subtilis)	PF13277 (YmdB)	5	GLY A 59 ALA A 60 ASP A 61 VAL A 9 ILE A 36	None	0.87A	2hs2B-4b2oA: undetectable	2hs2B-4b2oA: 16.67
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.	4fxc	FERREDOXIN (Arthrospira platensis)	PF00111 (Fer2)	5	LEU A 7 GLY A 34 ALA A 33 VAL A 5 ILE A 18	None	1.03A	2hs2B-4fxcA: undetectable	2hs2B-4fxcA: 25.69
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.	4ida	RIPENING-INDUCED PROTEIN (Fragaria vesca)	PF08240 (ADH_N) PF13602 (ADH_zinc_N_2)	5	LEU A 203 GLY A 208 ALA A 209 ASP A 210 ILE A 179	None	0.86A	2hs2B-4idaA: undetectable	2hs2B-4idaA: 17.76
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.	4inj	LMO1638 PROTEIN (Listeria monocytogenes)	PF02016 (Peptidase_S66)	5	LEU A 162 ALA A 309 GLY A 306 ILE A 305 ILE A 321	None	0.88A	2hs2B-4injA: undetectable	2hs2B-4injA: 15.41
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.	4j1y	COMPLEMENT C1S SUBCOMPONENT (Homo sapiens)	PF00084 (Sushi) PF00089 (Trypsin)	5	ARG A 572 ALA A 585 GLY A 620 VAL A 653 ILE A 567	None	0.99A	2hs2B-4j1yA: undetectable	2hs2B-4j1yA: 15.99
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	0.91A	2hs2B-4k5uB: undetectable	2hs2B-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.	4kpg	MEMBRANE-ANCHORED MYCOSIN MYCP1 (Mycolicibacterium smegmatis)	PF00082 (Peptidase_S8)	5	LEU A 72 GLY A 342 GLY A 133 PRO A 66 ILE A 74	None	0.99A	2hs2B-4kpgA: undetectable	2hs2B-4kpgA: 17.48
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.	4lom	IMIDAZOLEGLYCEROL-PH OSPHATE DEHYDRATASE (Mycobacterium tuberculosis)	PF00475 (IGPD)	5	LEU A 165 GLY A 84 ALA A 161 VAL A 116 ILE A 163	None	0.87A	2hs2B-4lomA: undetectable	2hs2B-4lomA: 19.35
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)	0.75A	2hs2B-4njvA: 20.7	2hs2B-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)	0.51A	2hs2B-4njvA: 20.7	2hs2B-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)	0.48A	2hs2B-4njvA: 20.7	2hs2B-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.	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	0.85A	2hs2B-4r1uA: undetectable	2hs2B-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.	4u1r	ATP-DEPENDENT 6-PHOSPHOFRUCTOKINAS E, PLATELET TYPE (Homo sapiens)	PF00365 (PFK)	5	ALA A 234 ASP A 235 ILE A 201 VAL A 216 ILE A 270	None PO4 A 802 ( 4.6A) None None None	0.96A	2hs2B-4u1rA: undetectable	2hs2B-4u1rA: 10.08
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)	0.36A	2hs2B-4ydfA: 12.9	2hs2B-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	0.43A	2hs2B-5b18A: 18.1	2hs2B-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.	5cw2	PUTATIVE EPOXIDE HYDROLASE EPHA (Mycolicibacterium thermoresistibile)	no annotation	5	LEU C 315 GLY C 53 ALA C 52 ILE C 46 ILE C 312	None	0.82A	2hs2B-5cw2C: undetectable	2hs2B-5cw2C: 15.09
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.	5dlq	EXPORTIN-4 (Mus musculus)	no annotation	5	LEU B 608 ALA B 667 ILE B 660 VAL B 604 ILE B 605	None	0.98A	2hs2B-5dlqB: undetectable	2hs2B-5dlqB: 6.80
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.	5erb	POLYKETIDE SYNTHASE (Bacillus amyloliquefaciens)	PF00109 (ketoacyl-synt) PF02801 (Ketoacyl-synt_C) PF16197 (KAsynt_C_assoc)	5	LEU A 187 GLY A 208 ALA A 207 ILE A 14 ILE A 190	None	1.05A	2hs2B-5erbA: undetectable	2hs2B-5erbA: 11.19
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	1.02A	2hs2B-5f8zA: undetectable	2hs2B-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.	5g5g	PUTATIVE XANTHINE DEHYDROGENASE YAGT IRON-SULFUR-BINDING SUBUNIT (Escherichia coli)	PF00111 (Fer2) PF01799 (Fer2_2)	5	GLY A 211 ALA A 212 ASP A 154 GLY A 159 ILE A 216	None None None FES A 230 (-4.2A) None	0.82A	2hs2B-5g5gA: undetectable	2hs2B-5g5gA: 23.12
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	0.92A	2hs2B-5hs0A: undetectable	2hs2B-5hs0A: 19.64
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.	5j7n	LOW MOLECULAR WEIGHT HEAT SHOCK PROTEIN (Xylella fastidiosa)	PF00011 (HSP20)	5	ASP A 119 ASP A 117 GLY A 77 ILE A 78 ILE A 134	None	0.99A	2hs2B-5j7nA: undetectable	2hs2B-5j7nA: 23.12
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.	5jcf	MELANOMA DIFFERENTIATION ASSOCIATED PROTEIN-5 (Gallus gallus)	PF00271 (Helicase_C) PF04851 (ResIII) PF11648 (RIG-I_C-RD)	5	LEU A 708 ALA A 725 GLY A 695 ILE A 777 ILE A 761	None	1.00A	2hs2B-5jcfA: undetectable	2hs2B-5jcfA: 9.12
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	0.39A	2hs2B-5t2zA: 20.3	2hs2B-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.	5ve3	BPPRF (Paraburkholderia phytofirmans)	no annotation	5	GLY B 88 ALA B 89 ASP B 90 VAL B 59 ILE B 80	None	0.85A	2hs2B-5ve3B: undetectable	2hs2B-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	0.78A	2hs2B-5vm2A: undetectable	2hs2B-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	0.88A	2hs2B-5xj1A: undetectable	2hs2B-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	0.48A	2hs2B-6fivA: 15.6	2hs2B-6fivA: 29.75
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	ARG A 8 LEU A 23 ASP A 25 ASP A 30 ILE A 84	None None NIU A 100 (-2.8A) None None	0.68A	2hs2B-6upjA: 17.9	2hs2B-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)	7	ASP A 25 ALA A 28 ASP A 29 ASP A 30 GLY A 49 PRO A 81 ILE A 84	NIU A 100 (-2.8A) NIU A 100 (-3.6A) None None NIU A 100 ( 3.8A) None None	0.72A	2hs2B-6upjA: 17.9	2hs2B-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 ASP A 29 GLY A 49 ILE A 50 PRO A 81 ILE A 84	NIU A 100 (-2.8A) None NIU A 100 ( 3.8A) NIU A 100 (-3.9A) None None	0.92A	2hs2B-6upjA: 17.9	2hs2B-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)	8	LEU A 23 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 84	None NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None None NIU A 100 ( 3.8A) None	0.68A	2hs2B-6upjA: 17.9	2hs2B-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)	7	LEU A 23 ASP A 25 GLY A 27 ASP A 29 GLY A 49 ILE A 50 ILE A 84	None NIU A 100 (-2.8A) NIU A 100 (-4.5A) None NIU A 100 ( 3.8A) NIU A 100 (-3.9A) None	0.80A	2hs2B-6upjA: 17.9	2hs2B-6upjA: 49.49

[["2HS2_A_017A201_2","1czi","Bos taurus","CHYMOSIN","PF00026(Asp)",5,"LEU E  30;ASP E  32;GLY E  34;ASP E  37;ILE E 120","None","0.57A","2hs2B-1cziE:6.7","2hs2B-1cziE:17.42"],["2HS2_A_017A201_2","1fob","Aspergillus aculeatus","BETA-1,4-GALACTANASE","PF07745(Glyco_hydro_53)",5,"GLY A  40;ALA A  39;ASP A  38;ILE A  44;ILE A 328","None","0.89A","2hs2B-1fobA:undetectable","2hs2B-1fobA:12.80"],["2HS2_A_017A201_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"ALA A  28;ASP A  29;GLY A  48;PRO A  81;VAL A  82;ILE A  84","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);A79 A 800 (-3.8A)","0.78A","2hs2B-1hvcA:14.1","2hs2B-1hvcA:46.31"],["2HS2_A_017A201_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",11,"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;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 (-3.4A);A79 A 800 ( 4.0A);A79 A 800 ( 3.4A);A79 A 800 (-4.5A);A79 A 800 (-3.8A)","0.46A","2hs2B-1hvcA:14.1","2hs2B-1hvcA:46.31"],["2HS2_A_017A201_2","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;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 ( 3.7A);A79 A 800 (-3.8A);A79 A 800 (-4.5A);A79 A 800 (-3.6A)","0.41A","2hs2B-1hvcA:14.1","2hs2B-1hvcA:46.31"],["2HS2_A_017A201_2","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;PRO A  81;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 ( 3.7A);A79 A 800 ( 3.9A);A79 A 800 (-4.5A);A79 A 800 (-3.6A)","0.47A","2hs2B-1hvcA:14.1","2hs2B-1hvcA:46.31"],["2HS2_A_017A201_2","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","0.81A","2hs2B-1kaeA:undetectable","2hs2B-1kaeA:11.83"],["2HS2_A_017A201_2","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","0.45A","2hs2B-1q9pA:10.2","2hs2B-1q9pA:98.95"],["2HS2_A_017A201_2","1rcq","Pseudomonas aeruginosa","CATABOLIC ALANINE RACEMASE DADX","PF00842(Ala_racemase_C);PF01168(Ala_racemase_N)",5,"GLY A 315;ALA A 314;ILE A 265;VAL A 286;ILE A 288","None","0.94A","2hs2B-1rcqA:undetectable","2hs2B-1rcqA:16.81"],["2HS2_A_017A201_2","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;PRO A  81;ILE A  84","None","0.39A","2hs2B-1sivA:18.3","2hs2B-1sivA:51.96"],["2HS2_A_017A201_2","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",9,"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","0.41A","2hs2B-1sivA:18.3","2hs2B-1sivA:51.96"],["2HS2_A_017A201_2","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","2hs2B-1tcsA:undetectable","2hs2B-1tcsA:16.87"],["2HS2_A_017A201_2","1tjr","Zea mays","BX1","PF00290(Trp_syntA)",5,"GLY A 307;ALA A 308;ASP A 309;VAL A 269;ILE A 303","None","0.78A","2hs2B-1tjrA:undetectable","2hs2B-1tjrA:19.59"],["2HS2_A_017A201_2","1to3","Salmonella enterica","PUTATIVE ALDOLASE YIHT","PF01791(DeoC)",5,"GLY A 188;ALA A 189;ASP A 190;VAL A 127;ILE A 158","None","0.68A","2hs2B-1to3A:undetectable","2hs2B-1to3A:16.95"],["2HS2_A_017A201_2","1to3","Salmonella enterica","PUTATIVE ALDOLASE YIHT","PF01791(DeoC)",5,"LEU A 184;GLY A 188;ALA A 189;ASP A 190;ILE A 158","None","0.84A","2hs2B-1to3A:undetectable","2hs2B-1to3A:16.95"],["2HS2_A_017A201_2","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","0.91A","2hs2B-1w3fA:undetectable","2hs2B-1w3fA:16.53"],["2HS2_A_017A201_2","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","2hs2B-1znoA:undetectable","2hs2B-1znoA:18.39"],["2HS2_A_017A201_2","2bc0","Streptococcus pyogenes","NADH OXIDASE","PF02852(Pyr_redox_dim);PF07992(Pyr_redox_2)",5,"GLY A 453;ALA A 454;ASP A 456;ILE A 387;ILE A 426","None","0.48A","2hs2B-2bc0A:undetectable","2hs2B-2bc0A:13.32"],["2HS2_A_017A201_2","2d0o","Klebsiella oxytoca","DIOL DEHYDRATASE-REACTIVATING FACTOR LARGE SUBUNIT","PF08841(DDR)",5,"ARG A 375;ASP A   8;GLY A 389;VAL A 385;ILE A  73","None; MG A1003 ( 4.1A);None;None;None","1.05A","2hs2B-2d0oA:undetectable","2hs2B-2d0oA:9.74"],["2HS2_A_017A201_2","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)","0.25A","2hs2B-2fmbA:15.0","2hs2B-2fmbA:33.96"],["2HS2_A_017A201_2","2g28","Escherichia coli","PYRUVATE DEHYDROGENASE E1 COMPONENT","PF00456(Transketolase_N)",5,"LEU A 565;GLY A 573;PRO A 594;VAL A 516;ILE A 518","None","0.94A","2hs2B-2g28A:undetectable","2hs2B-2g28A:8.21"],["2HS2_A_017A201_2","2g4r","Mycobacterium tuberculosis","MOLYBDOPTERIN BIOSYNTHESIS MOG PROTEIN","PF00994(MoCF_biosynth)",5,"GLY A 115;ASP A  97;GLY A 118;ILE A 125;ILE A  99","None;TRS A 301 (-2.8A);None;None;None","0.86A","2hs2B-2g4rA:undetectable","2hs2B-2g4rA:19.88"],["2HS2_A_017A201_2","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","1.01A","2hs2B-2hzgA:undetectable","2hs2B-2hzgA:12.66"],["2HS2_A_017A201_2","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)","0.75A","2hs2B-2isqA:undetectable","2hs2B-2isqA:15.72"],["2HS2_A_017A201_2","2ph3","Thermus thermophilus","3-OXOACYL-[ACYL CARRIER PROTEIN] REDUCTASE","PF13561(adh_short_C2)",5,"LEU A  28;GLY A  14;ALA A   9;VAL A  54;ILE A  30","None","0.94A","2hs2B-2ph3A:undetectable","2hs2B-2ph3A:18.88"],["2HS2_A_017A201_2","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","0.95A","2hs2B-2q2rA:undetectable","2hs2B-2q2rA:14.96"],["2HS2_A_017A201_2","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)","0.76A","2hs2B-2rkfA:20.9","2hs2B-2rkfA:82.83"],["2HS2_A_017A201_2","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)","0.43A","2hs2B-2rkfA:20.9","2hs2B-2rkfA:82.83"],["2HS2_A_017A201_2","2rsp","Rous sarcoma virus","RSV PROTEASE","PF00077(RVP)",5,"ARG A  10;LEU A  35;ASP A  37;ALA A  40;ILE A 108","None","0.91A","2hs2B-2rspA:12.7","2hs2B-2rspA:32.26"],["2HS2_A_017A201_2","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","0.31A","2hs2B-2rspA:12.7","2hs2B-2rspA:32.26"],["2HS2_A_017A201_2","2wsk","Escherichia coli","GLYCOGEN DEBRANCHING ENZYME","PF00128(Alpha-amylase);PF02922(CBM_48)",5,"LEU A 188;GLY A 255;ALA A 254;ILE A 248;ILE A 185","None","0.83A","2hs2B-2wskA:undetectable","2hs2B-2wskA:8.22"],["2HS2_A_017A201_2","2y23","Homo sapiens","MYOMESIN","PF07679(I-set)",5,"ASP A1401;GLY A1409;ILE A1410;VAL A1428;ILE A1389","None","0.80A","2hs2B-2y23A:undetectable","2hs2B-2y23A:17.44"],["2HS2_A_017A201_2","2ynm","Prochlorococcus marinus","LIGHT-INDEPENDENT PROTOCHLOROPHYLLIDE REDUCTASE IRON-SULFUR ATP-BINDING PROTEIN;LIGHT-INDEPENDENT PROTOCHLOROPHYLLIDE REDUCTASE SUBUNIT N","PF00142(Fer4_NifH);PF00148(Oxidored_nitro)",5,"LEU A  87;ALA C  71;GLY A 126;VAL A  83;ILE A  84","None;None;SF4 A1302 (-3.9A);None;EPE A1298 (-4.9A)","0.97A","2hs2B-2ynmA:undetectable","2hs2B-2ynmA:18.39"],["2HS2_A_017A201_2","3cj1","Rattus norvegicus","ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2","PF01150(GDA1_CD39)",5,"GLY A  47;ALA A  46;ASP A  45;VAL A 139;ILE A  82","None","1.05A","2hs2B-3cj1A:undetectable","2hs2B-3cj1A:12.10"],["2HS2_A_017A201_2","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","0.91A","2hs2B-3dbgA:undetectable","2hs2B-3dbgA:11.56"],["2HS2_A_017A201_2","3dqg","Caenorhabditis elegans","HEAT SHOCK 70 KDA PROTEIN F","PF00012(HSP70)",5,"LEU A 484;ASP A 515;GLY A 517;VAL A 461;ILE A 487","None","0.96A","2hs2B-3dqgA:undetectable","2hs2B-3dqgA:21.64"],["2HS2_A_017A201_2","3ecd","Burkholderia pseudomallei","SERINE HYDROXYMETHYLTRANSFERASE 2","PF00464(SHMT)",5,"LEU A 295;GLY A 216;ALA A 215;PRO A 370;ILE A 291","None","0.91A","2hs2B-3ecdA:undetectable","2hs2B-3ecdA:14.40"],["2HS2_A_017A201_2","3egj","Vibrio cholerae","N-ACETYLGLUCOSAMINE-6-PHOSPHATE DEACETYLASE","PF01979(Amidohydro_1)",5,"LEU A 181;ASP A 161;GLY A 124;VAL A 188;ILE A 186","None","1.02A","2hs2B-3egjA:undetectable","2hs2B-3egjA:16.21"],["2HS2_A_017A201_2","3f6m","Yersinia pestis","2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE","PF02542(YgbB)",5,"GLY A  39;ASP A   8;GLY A 147;PRO A 105;ILE A  22","None","0.99A","2hs2B-3f6mA:undetectable","2hs2B-3f6mA:21.56"],["2HS2_A_017A201_2","3gve","Bacillus subtilis","YFKN PROTEIN","PF00149(Metallophos)",5,"GLY A 121;ALA A 122;ASP A 123;ILE A  89;ILE A 126","None","0.67A","2hs2B-3gveA:undetectable","2hs2B-3gveA:14.41"],["2HS2_A_017A201_2","3hdy","Deinococcus radiodurans","UDP-GALACTOPYRANOSE MUTASE","PF03275(GLF);PF13450(NAD_binding_8)",5,"LEU A 230;ALA A  49;ILE A 256;VAL A 237;ILE A 235","None","0.94A","2hs2B-3hdyA:undetectable","2hs2B-3hdyA:13.38"],["2HS2_A_017A201_2","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","0.88A","2hs2B-3hh1A:undetectable","2hs2B-3hh1A:23.20"],["2HS2_A_017A201_2","3ir3","Homo sapiens","3-HYDROXYACYL-THIOESTER DEHYDRATASE 2","PF01575(MaoC_dehydratas)",5,"ALA A 128;GLY A 156;ILE A 112;VAL A 160;ILE A 140","None","1.01A","2hs2B-3ir3A:undetectable","2hs2B-3ir3A:19.73"],["2HS2_A_017A201_2","3l2z","Mycobacterium tuberculosis","BIRA BIFUNCTIONAL PROTEIN","PF02237(BPL_C);PF03099(BPL_LplA_LipB)",5,"LEU A 153;ALA A 108;ASP A 111;ILE A 199;VAL A  86","None","1.01A","2hs2B-3l2zA:undetectable","2hs2B-3l2zA:17.90"],["2HS2_A_017A201_2","3l7g","Alteromonas sp.","XAA-PRO DIPEPTIDASE","PF00557(Peptidase_M24)",5,"LEU A 391;GLY A 415;ALA A 223;GLY A 383;ILE A 387","None","0.99A","2hs2B-3l7gA:undetectable","2hs2B-3l7gA:10.83"],["2HS2_A_017A201_2","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","0.93A","2hs2B-3lxdA:undetectable","2hs2B-3lxdA:13.55"],["2HS2_A_017A201_2","3mdo","Parabacteroides distasonis","PUTATIVE PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE","PF02769(AIRS_C)",5,"LEU A 251;GLY A 256;ALA A 255;ILE A 319;ILE A 248","None","1.01A","2hs2B-3mdoA:undetectable","2hs2B-3mdoA:14.40"],["2HS2_A_017A201_2","3mwc","Kosmotoga olearia","MANDELATE RACEMASE\/MUCONATE LACTONIZING PROTEIN","PF02746(MR_MLE_N);PF13378(MR_MLE_C)",5,"GLY A 310;ALA A 336;ASP A 337;VAL A 363;ILE A 149","None","1.04A","2hs2B-3mwcA:undetectable","2hs2B-3mwcA:14.44"],["2HS2_A_017A201_2","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"ALA A  28;ASP A  29;ASP A  30;GLY A  48;PRO A  81;ILE A  84","None","0.87A","2hs2B-3mwsA:20.1","2hs2B-3mwsA:78.79"],["2HS2_A_017A201_2","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",6,"ALA A  28;ASP A  29;GLY A  48;PRO A  81;VAL A  82;ILE A  84","None","0.83A","2hs2B-3mwsA:20.1","2hs2B-3mwsA:78.79"],["2HS2_A_017A201_2","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"ARG A   8;LEU A  23;ASP A  25;ASP A  29;GLY A  49;ILE A  50;PRO A  81","None","1.26A","2hs2B-3mwsA:20.1","2hs2B-3mwsA:78.79"],["2HS2_A_017A201_2","3mws","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;ASP A  30;PRO A  81;ILE A  84","None","0.54A","2hs2B-3mwsA:20.1","2hs2B-3mwsA:78.79"],["2HS2_A_017A201_2","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","0.46A","2hs2B-3mwsA:20.1","2hs2B-3mwsA:78.79"],["2HS2_A_017A201_2","3nd0","Synechocystis sp. PCC 6803","SLL0855 PROTEIN","PF00654(Voltage_CLC)",5,"ARG A 170;LEU A 112;GLY A 176;ALA A 177;ILE A 108","None","1.05A","2hs2B-3nd0A:undetectable","2hs2B-3nd0A:15.40"],["2HS2_A_017A201_2","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","0.77A","2hs2B-3opyA:undetectable","2hs2B-3opyA:7.92"],["2HS2_A_017A201_2","3r8y","Bacillus anthracis","2,3,4,5-TETRAHYDROPYRIDINE-2,6-DICARBOXYLATE N-ACETYLTRANSFERASE","PF00132(Hexapep);PF08503(DapH_N);PF14602(Hexapep_2)",5,"ALA A  92;ASP A 108;GLY A  89;VAL A 104;ILE A 106","None","1.00A","2hs2B-3r8yA:undetectable","2hs2B-3r8yA:19.25"],["2HS2_A_017A201_2","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)","0.32A","2hs2B-3slzA:11.1","2hs2B-3slzA:25.95"],["2HS2_A_017A201_2","3slz","Murine leukemia virus","GAG-PRO-POL POLYPROTEIN","PF00077(RVP)",5,"LEU A  30;ASP A  32;GLY A  34;ALA A  35;PRO A  89","None;3TL A 126 (-2.4A);3TL A 126 (-3.1A);3TL A 126 ( 4.0A);3TL A 126 (-4.0A)","0.52A","2hs2B-3slzA:11.1","2hs2B-3slzA:25.95"],["2HS2_A_017A201_2","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",7,"ARG A   8;LEU A  23;ASP A  25;ALA A  28;ASP A  30;GLY A  49;ILE A  50","SO4 A 101 (-3.8A);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)","1.45A","2hs2B-3t3cA:18.6","2hs2B-3t3cA:73.74"],["2HS2_A_017A201_2","3t3c","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;ASP A  30;GLY A  49;PRO A  81","SO4 A 101 (-3.8A);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","0.80A","2hs2B-3t3cA:18.6","2hs2B-3t3cA:73.74"],["2HS2_A_017A201_2","3t3c","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","SO4 A 101 (-3.8A);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 (-4.0A);017 A 201 (-3.3A);None","0.80A","2hs2B-3t3cA:18.6","2hs2B-3t3cA:73.74"],["2HS2_A_017A201_2","3ttp","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;GLY A  49;ILE A  50;PRO A  81;ILE A  84","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);017 A 201 (-4.7A)","0.40A","2hs2B-3ttpA:19.6","2hs2B-3ttpA:75.76"],["2HS2_A_017A201_2","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)","0.38A","2hs2B-3ttpA:19.6","2hs2B-3ttpA:75.76"],["2HS2_A_017A201_2","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",6,"ARG A   8;LEU A  23;ASP A  25;GLY A  27;ALA A  28;PRO A  81","None;None;017 A 202 ( 2.5A);017 A 201 ( 3.5A);017 A 201 (-3.4A);017 A 202 (-4.0A)","0.48A","2hs2B-3u7sA:19.9","2hs2B-3u7sA:75.76"],["2HS2_A_017A201_2","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)","1.25A","2hs2B-3u7sA:19.9","2hs2B-3u7sA:75.76"],["2HS2_A_017A201_2","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)","0.38A","2hs2B-3u7sA:19.9","2hs2B-3u7sA:75.76"],["2HS2_A_017A201_2","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","0.42A","2hs2B-3uhlA:16.1","2hs2B-3uhlA:79.80"],["2HS2_A_017A201_2","4b2o","Bacillus subtilis","YMDB PHOSPHODIESTERASE","PF13277(YmdB)",5,"GLY A  59;ALA A  60;ASP A  61;VAL A   9;ILE A  36","None","0.87A","2hs2B-4b2oA:undetectable","2hs2B-4b2oA:16.67"],["2HS2_A_017A201_2","4fxc","Arthrospira platensis","FERREDOXIN","PF00111(Fer2)",5,"LEU A   7;GLY A  34;ALA A  33;VAL A   5;ILE A  18","None","1.03A","2hs2B-4fxcA:undetectable","2hs2B-4fxcA:25.69"],["2HS2_A_017A201_2","4ida","Fragaria vesca","RIPENING-INDUCED PROTEIN","PF08240(ADH_N);PF13602(ADH_zinc_N_2)",5,"LEU A 203;GLY A 208;ALA A 209;ASP A 210;ILE A 179","None","0.86A","2hs2B-4idaA:undetectable","2hs2B-4idaA:17.76"],["2HS2_A_017A201_2","4inj","Listeria monocytogenes","LMO1638 PROTEIN","PF02016(Peptidase_S66)",5,"LEU A 162;ALA A 309;GLY A 306;ILE A 305;ILE A 321","None","0.88A","2hs2B-4injA:undetectable","2hs2B-4injA:15.41"],["2HS2_A_017A201_2","4j1y","Homo sapiens","COMPLEMENT C1S SUBCOMPONENT","PF00084(Sushi);PF00089(Trypsin)",5,"ARG A 572;ALA A 585;GLY A 620;VAL A 653;ILE A 567","None","0.99A","2hs2B-4j1yA:undetectable","2hs2B-4j1yA:15.99"],["2HS2_A_017A201_2","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","0.91A","2hs2B-4k5uB:undetectable","2hs2B-4k5uB:16.59"],["2HS2_A_017A201_2","4kpg","Mycolicibacterium smegmatis","MEMBRANE-ANCHORED MYCOSIN MYCP1","PF00082(Peptidase_S8)",5,"LEU A  72;GLY A 342;GLY A 133;PRO A  66;ILE A  74","None","0.99A","2hs2B-4kpgA:undetectable","2hs2B-4kpgA:17.48"],["2HS2_A_017A201_2","4lom","Mycobacterium tuberculosis","IMIDAZOLEGLYCEROL-PHOSPHATE DEHYDRATASE","PF00475(IGPD)",5,"LEU A 165;GLY A  84;ALA A 161;VAL A 116;ILE A 163","None","0.87A","2hs2B-4lomA:undetectable","2hs2B-4lomA:19.35"],["2HS2_A_017A201_2","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)","0.75A","2hs2B-4njvA:20.7","2hs2B-4njvA:83.84"],["2HS2_A_017A201_2","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)","0.51A","2hs2B-4njvA:20.7","2hs2B-4njvA:83.84"],["2HS2_A_017A201_2","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)","0.48A","2hs2B-4njvA:20.7","2hs2B-4njvA:83.84"],["2HS2_A_017A201_2","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","0.85A","2hs2B-4r1uA:undetectable","2hs2B-4r1uA:13.48"],["2HS2_A_017A201_2","4u1r","Homo sapiens","ATP-DEPENDENT 6-PHOSPHOFRUCTOKINASE, PLATELET TYPE","PF00365(PFK)",5,"ALA A 234;ASP A 235;ILE A 201;VAL A 216;ILE A 270","None;PO4 A 802 ( 4.6A);None;None;None","0.96A","2hs2B-4u1rA:undetectable","2hs2B-4u1rA:10.08"],["2HS2_A_017A201_2","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)","0.36A","2hs2B-4ydfA:12.9","2hs2B-4ydfA:32.17"],["2HS2_A_017A201_2","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","0.43A","2hs2B-5b18A:18.1","2hs2B-5b18A:73.74"],["2HS2_A_017A201_2","5cw2","Mycolicibacterium thermoresistibile","PUTATIVE EPOXIDE HYDROLASE EPHA","no annotation",5,"LEU C 315;GLY C  53;ALA C  52;ILE C  46;ILE C 312","None","0.82A","2hs2B-5cw2C:undetectable","2hs2B-5cw2C:15.09"],["2HS2_A_017A201_2","5dlq","Mus musculus","EXPORTIN-4","no annotation",5,"LEU B 608;ALA B 667;ILE B 660;VAL B 604;ILE B 605","None","0.98A","2hs2B-5dlqB:undetectable","2hs2B-5dlqB:6.80"],["2HS2_A_017A201_2","5erb","Bacillus amyloliquefaciens","POLYKETIDE SYNTHASE","PF00109(ketoacyl-synt);PF02801(Ketoacyl-synt_C);PF16197(KAsynt_C_assoc)",5,"LEU A 187;GLY A 208;ALA A 207;ILE A  14;ILE A 190","None","1.05A","2hs2B-5erbA:undetectable","2hs2B-5erbA:11.19"],["2HS2_A_017A201_2","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","1.02A","2hs2B-5f8zA:undetectable","2hs2B-5f8zA:21.08"],["2HS2_A_017A201_2","5g5g","Escherichia coli","PUTATIVE XANTHINE DEHYDROGENASE YAGT IRON-SULFUR-BINDING SUBUNIT","PF00111(Fer2);PF01799(Fer2_2)",5,"GLY A 211;ALA A 212;ASP A 154;GLY A 159;ILE A 216","None;None;None;FES A 230 (-4.2A);None","0.82A","2hs2B-5g5gA:undetectable","2hs2B-5g5gA:23.12"],["2HS2_A_017A201_2","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","0.92A","2hs2B-5hs0A:undetectable","2hs2B-5hs0A:19.64"],["2HS2_A_017A201_2","5j7n","Xylella fastidiosa","LOW MOLECULAR WEIGHT HEAT SHOCK PROTEIN","PF00011(HSP20)",5,"ASP A 119;ASP A 117;GLY A  77;ILE A  78;ILE A 134","None","0.99A","2hs2B-5j7nA:undetectable","2hs2B-5j7nA:23.12"],["2HS2_A_017A201_2","5jcf","Gallus gallus","MELANOMA DIFFERENTIATION ASSOCIATED PROTEIN-5","PF00271(Helicase_C);PF04851(ResIII);PF11648(RIG-I_C-RD)",5,"LEU A 708;ALA A 725;GLY A 695;ILE A 777;ILE A 761","None","1.00A","2hs2B-5jcfA:undetectable","2hs2B-5jcfA:9.12"],["2HS2_A_017A201_2","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","0.39A","2hs2B-5t2zA:20.3","2hs2B-5t2zA:81.82"],["2HS2_A_017A201_2","5ve3","Paraburkholderia phytofirmans","BPPRF","no annotation",5,"GLY B  88;ALA B  89;ASP B  90;VAL B  59;ILE B  80","None","0.85A","2hs2B-5ve3B:undetectable","2hs2B-5ve3B:14.25"],["2HS2_A_017A201_2","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","0.78A","2hs2B-5vm2A:undetectable","2hs2B-5vm2A:16.55"],["2HS2_A_017A201_2","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","0.88A","2hs2B-5xj1A:undetectable","2hs2B-5xj1A:15.00"],["2HS2_A_017A201_2","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","0.48A","2hs2B-6fivA:15.6","2hs2B-6fivA:29.75"],["2HS2_A_017A201_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",5,"ARG A   8;LEU A  23;ASP A  25;ASP A  30;ILE A  84","None;None;NIU A 100 (-2.8A);None;None","0.68A","2hs2B-6upjA:17.9","2hs2B-6upjA:49.49"],["2HS2_A_017A201_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",7,"ASP A  25;ALA A  28;ASP A  29;ASP A  30;GLY A  49;PRO A  81;ILE A  84","NIU A 100 (-2.8A);NIU A 100 (-3.6A);None;None;NIU A 100 ( 3.8A);None;None","0.72A","2hs2B-6upjA:17.9","2hs2B-6upjA:49.49"],["2HS2_A_017A201_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",6,"ASP A  25;ASP A  29;GLY A  49;ILE A  50;PRO A  81;ILE A  84","NIU A 100 (-2.8A);None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A);None;None","0.92A","2hs2B-6upjA:17.9","2hs2B-6upjA:49.49"],["2HS2_A_017A201_2","6upj","Human immunodeficiency virus 2","HIV-2 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  84","None;NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;None;NIU A 100 ( 3.8A);None","0.68A","2hs2B-6upjA:17.9","2hs2B-6upjA:49.49"],["2HS2_A_017A201_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",7,"LEU A  23;ASP A  25;GLY A  27;ASP A  29;GLY A  49;ILE A  50;ILE A  84","None;NIU A 100 (-2.8A);NIU A 100 (-4.5A);None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A);None","0.80A","2hs2B-6upjA:17.9","2hs2B-6upjA:49.49"]]