*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 0.82 A TRANSFORM 0.8183 0.1502 -0.5548 -0.4413 -0.4543 -0.7739 -0.3683 0.8781 -0.3055 2.450 44.189 -25.001 A 229 ALA A 131 ALA~? A 257 ALA A 135 ALA~? A 328 ASP A 100 ASP~? ULMNm 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 0.92 A TRANSFORM 0.8850 0.1845 0.4274 0.2121 0.6574 -0.7231 -0.4144 0.7306 0.5427 26.215 4.568 61.477 B 107 ASP A 64 ASP~? B 246 ASP A 100 ASP~? B 275 HIS A 94 HIS~? ULMNm 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 0.93 A TRANSFORM -0.4087 0.8035 0.4329 -0.1403 -0.5240 0.8401 0.9018 0.2825 0.3269 11.126 67.265 65.542 D 107 ASP A 64 ASP~? D 246 ASP A 100 ASP~? D 275 HIS A 94 HIS~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.05 A TRANSFORM 0.7540 -0.6398 -0.1489 -0.4226 -0.2990 -0.8555 0.5029 0.7080 -0.4959 71.628 -8.632 -46.763 A 67 ASP A 14 ASP~? A 68 ALA A 15 ALA~? A 72 LEU A 12 LEU~? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 3 3 RMSD = 1.05 A TRANSFORM -0.9506 0.2955 0.0954 0.2038 0.8257 -0.5261 -0.2342 -0.4806 -0.8451 25.748 9.993 122.738 A 270 ASN A 92 ASN~? A 384 ASN A 162 ASN~? A 385 GLU A 159 GLU~? ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 3 3 RMSD = 1.06 A TRANSFORM -0.2677 -0.9378 0.2212 -0.9542 0.2899 0.0741 -0.1336 -0.1912 -0.9724 57.432 31.954 61.121 C 107 ASP A 64 ASP~? C 246 ASP A 100 ASP~? C 275 HIS A 94 HIS~? ULMNm 3 2phk_c03 MC-PEPTIDE user 1 3 RMSD = 1.13 A TRANSFORM -0.8142 0.5667 0.1264 -0.4568 -0.7595 0.4631 0.3585 0.3193 0.8772 37.198 68.548 58.095 A 149 ASP A 71 ASP~? A 151 LYS A 40 LYS~? A 154 ASN A 44 ASN~? ULMNm 3 1zrz_c03 PROTEIN KINASE C, IOTA user 1 3 RMSD = 1.14 A TRANSFORM 0.2410 -0.6125 -0.7528 -0.6371 -0.6850 0.3534 -0.7321 0.3945 -0.5553 -11.515 77.578 -6.818 A 369 ASP A 71 ASP~? A 371 LYS A 40 LYS~? A 374 ASN A 44 ASN~? ULMNm 3 2dbt_c02 CHITINASE C user 4 3 RMSD = 1.14 A TRANSFORM -0.7103 0.5829 0.3947 0.6997 0.5230 0.4867 0.0773 0.6219 -0.7793 40.165 -18.022 -29.511 C 147 GLU A 151 GLU~? C 156 GLU A 157 GLU~? C 194 ASN A 89 ASN.? ULMNm 3 2dbt_c01 CHITINASE C user 5 3 RMSD = 1.23 A TRANSFORM -0.6809 -0.1179 0.7228 -0.5795 -0.5167 -0.6302 0.4478 -0.8480 0.2835 83.208 104.548 47.925 B 147 GLU A 151 GLU~? B 156 GLU A 157 GLU~? B 194 ASN A 89 ASN.? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 1 3 RMSD = 1.25 A TRANSFORM -0.0827 -0.7490 -0.6574 -0.9671 -0.0990 0.2345 -0.2407 0.6551 -0.7161 40.532 37.329 -18.975 30 GLY A 85 GLY~? 48 HIS A 94 HIS~? 99 ASP A 64 ASP~? ULMNm 3 2dw7_c45 BLL6730 PROTEIN user 5 3 RMSD = 1.28 A TRANSFORM 0.1899 -0.9427 0.2742 0.9815 0.1750 -0.0781 0.0256 0.2840 0.9585 61.219 -68.859 102.771 N 182 LYS A 107 LYS~? N 184 LYS A 110 LYS~? N 345 ASP A 100 ASP~? ULMNm 3 2dbt_c00 CHITINASE C user 4 3 RMSD = 1.31 A TRANSFORM 0.7373 -0.2541 -0.6260 -0.6749 -0.3203 -0.6648 -0.0316 0.9126 -0.4076 54.952 50.041 -41.752 A 147 GLU A 151 GLU~? A 156 GLU A 157 GLU~? A 194 ASN A 89 ASN.? ULMNm 3 2dw7_c36 BLL6730 PROTEIN user 5 3 RMSD = 1.32 A TRANSFORM -0.7860 -0.1532 -0.5990 0.2171 -0.9755 -0.0354 -0.5789 -0.1578 0.8000 -6.810 92.585 169.538 E 182 LYS A 107 LYS~? E 184 LYS A 110 LYS~? E 345 ASP A 100 ASP~? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 1 3 RMSD = 1.33 A TRANSFORM 0.4132 -0.5321 -0.7390 -0.8936 -0.3931 -0.2167 -0.1752 0.7499 -0.6379 17.770 57.048 -38.011 A 10 ASP A 64 ASP~? A 186 ASN A 92 ASN~? A 260 ALA A 98 ALA~? ULMNm 3 1mjo_d00 TRANSCRIPTION/DNA user 1 3 RMSD = 1.35 A TRANSFORM -0.0599 0.9777 0.2015 -0.3707 -0.2092 0.9049 0.9268 -0.0205 0.3750 51.120 79.685 58.939 D 23 LYS A 36 LYS~? D 25 THR A 39 THR~? D 27 SER A 41 SER~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.37 A TRANSFORM 0.9980 0.0106 0.0623 0.0152 0.9164 -0.4000 -0.0613 0.4001 0.9144 -29.849 -42.585 2.686 141 ASP A 144 ASP~? 166 GLY A 85 GLY~? 169 GLU A 93 GLU~? ULMNm 3 2dw7_c40 BLL6730 PROTEIN user 5 3 RMSD = 1.38 A TRANSFORM -0.3496 -0.8529 0.3877 0.9358 -0.3380 0.1002 0.0456 0.3979 0.9163 116.047 82.699 51.686 I 182 LYS A 107 LYS~? I 184 LYS A 110 LYS~? I 345 ASP A 100 ASP~? ULMNm 3 2dw7_c42 BLL6730 PROTEIN user 5 3 RMSD = 1.39 A TRANSFORM 0.0537 0.3467 0.9364 -0.5104 -0.7965 0.3241 0.8583 -0.4953 0.1342 63.467 107.949 -11.880 K 182 LYS A 107 LYS~? K 184 LYS A 110 LYS~? K 345 ASP A 100 ASP~? ULMNm 3 1ds2_c02 PROTEINASE B (SGPB user 1 3 RMSD = 1.40 A TRANSFORM -0.2431 -0.6543 -0.7161 -0.9067 0.4156 -0.0719 0.3447 0.6318 -0.6942 29.747 18.273 -24.441 E 57 HIS A 94 HIS~? E 102 ASP A 64 ASP~? E 193 GLY A 85 GLY~? ULMNm 3 2dw7_c32 BLL6730 PROTEIN user 5 3 RMSD = 1.41 A TRANSFORM -0.0575 -0.3352 -0.9404 0.3814 -0.8779 0.2896 -0.9226 -0.3420 0.1783 -5.887 72.837 56.106 A 182 LYS A 107 LYS~? A 184 LYS A 110 LYS~? A 345 ASP A 100 ASP~? ULMNm 3 1stc_c03 CAMP-DEPENDENT PROTEIN KINASE user 1 3 RMSD = 1.41 A TRANSFORM 0.7194 0.2133 -0.6611 -0.5520 0.7532 -0.3577 0.4216 0.6223 0.6595 -36.502 -15.299 15.674 E 166 ASP A 71 ASP~? E 168 LYS A 40 LYS~? E 171 ASN A 44 ASN~? ULMNm 3 1a0j_c14 TRYPSIN user 1 3 RMSD = 1.42 A TRANSFORM -0.1429 0.0661 0.9875 0.8425 0.5317 0.0863 -0.5193 0.8444 -0.1317 55.214 6.049 37.368 C 57 HIS A 94 HIS~? C 102 ASP A 64 ASP~? C 193 GLY A 85 GLY~? ULMNm 3 2dw7_c35 BLL6730 PROTEIN user 5 3 RMSD = 1.42 A TRANSFORM -0.3322 -0.8687 0.3675 -0.9402 0.3362 -0.0552 -0.0756 -0.3638 -0.9284 84.454 3.442 31.045 D 182 LYS A 107 LYS~? D 184 LYS A 110 LYS~? D 345 ASP A 100 ASP~? ULMNm 3 1a0j_c15 TRYPSIN user 1 3 RMSD = 1.42 A TRANSFORM -0.8219 0.3763 -0.4278 0.1727 0.8801 0.4424 0.5429 0.2897 -0.7882 -7.747 -19.415 56.756 D 57 HIS A 94 HIS~? D 102 ASP A 64 ASP~? D 193 GLY A 85 GLY~? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 1 3 RMSD = 1.42 A TRANSFORM 0.4178 0.8463 0.3305 -0.6874 0.0566 0.7241 0.5941 -0.5297 0.6053 -30.909 88.185 134.983 A 270 ASN A 89 ASN.? A 384 ASN A 49 ASN~? A 385 GLU A 52 GLU~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 2 3 RMSD = 1.42 A TRANSFORM -0.1298 -0.7257 0.6757 -0.4895 0.6395 0.5928 -0.8623 -0.2538 -0.4382 83.056 23.016 90.940 A 241 ASP A 21 ASP~? A 265 GLU A 52 GLU~? A 369 ASP A 14 ASP~? ULMNm 3 1mas_c00 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 1 3 RMSD = 1.43 A TRANSFORM -0.2781 -0.9605 -0.0057 0.5718 -0.1704 0.8025 -0.7718 0.2199 0.5966 44.421 -7.457 29.897 A 10 ASP A 100 ASP~? A 168 ASN A 96 ASN~? A 241 HIS A 94 HIS~? ULMNm 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 1 3 RMSD = 1.43 A TRANSFORM -0.6069 -0.4328 -0.6666 -0.4421 -0.5132 0.7357 -0.6605 0.7412 0.1201 95.873 108.254 68.433 C 95 ASP A 141 ASP~? C 117 GLU A 142 GLU~? C 131 GLU A 112 GLU~? ULMNm 3 1a0j_c13 TRYPSIN user 1 3 RMSD = 1.44 A TRANSFORM 0.5530 0.6350 -0.5395 0.3117 0.4428 0.8407 0.7727 -0.6331 0.0469 -5.957 38.852 73.175 B 57 HIS A 94 HIS~? B 102 ASP A 64 ASP~? B 193 GLY A 85 GLY~? ULMNm 3 1a0j_c12 TRYPSIN user 1 3 RMSD = 1.44 A TRANSFORM 0.1343 -0.9905 0.0301 -0.8692 -0.1323 -0.4765 0.4759 0.0378 -0.8787 71.531 49.100 33.629 A 57 HIS A 94 HIS~? A 102 ASP A 64 ASP~? A 193 GLY A 85 GLY~? ULMNm 3 2dw7_c33 BLL6730 PROTEIN user 6 3 RMSD = 1.44 A TRANSFORM 0.7882 0.1370 0.6000 0.3354 0.7219 -0.6053 -0.5161 0.6783 0.5230 25.057 -54.096 9.400 B 182 LYS A 107 LYS~? B 184 LYS A 110 LYS~? B 345 ASP A 100 ASP~? ULMNm 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 1 3 RMSD = 1.45 A TRANSFORM -0.5331 0.7598 0.3722 -0.0182 0.4295 -0.9029 -0.8459 -0.4881 -0.2151 -5.334 -11.133 49.820 A 57 HIS A 94 HIS~? A 102 ASP A 64 ASP~? A 193 GLY A 85 GLY~? ULMNm 3 2dw7_c34 BLL6730 PROTEIN user 5 3 RMSD = 1.45 A TRANSFORM -0.1524 0.9803 -0.1257 -0.5934 0.0110 0.8048 0.7904 0.1972 0.5800 -42.520 54.223 54.372 C 182 LYS A 107 LYS~? C 184 LYS A 110 LYS~? C 345 ASP A 100 ASP~? ULMNm 3 2dw7_c41 BLL6730 PROTEIN user 5 3 RMSD = 1.45 A TRANSFORM -0.1383 0.9795 -0.1461 0.5563 -0.0452 -0.8297 -0.8194 -0.1961 -0.5387 -12.809 30.409 32.753 J 182 LYS A 107 LYS~? J 184 LYS A 110 LYS~? J 345 ASP A 100 ASP~? ULMNm 3 1rgq_c01 NS4A PEPTIDE user 1 3 RMSD = 1.45 A TRANSFORM -0.6230 -0.3932 -0.6762 -0.1003 0.8975 -0.4295 0.7758 -0.1997 -0.5985 33.120 -32.886 -32.883 B 60 HIS A 94 HIS~? B 84 ASP A 64 ASP~? B 140 GLY A 85 GLY~? ULMNm 3 1mas_c01 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 1 3 RMSD = 1.47 A TRANSFORM 0.6618 0.1849 0.7265 -0.0666 -0.9508 0.3026 0.7467 -0.2487 -0.6169 -23.766 38.949 30.793 B 10 ASP A 100 ASP~? B 168 ASN A 96 ASN~? B 241 HIS A 94 HIS~? ULMNm 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 1 3 RMSD = 1.47 A TRANSFORM -0.6486 0.4532 0.6115 -0.5250 0.3154 -0.7905 -0.5511 -0.8338 0.0333 -3.327 2.243 91.043 B 57 HIS A 94 HIS~? B 102 ASP A 64 ASP~? B 193 GLY A 85 GLY~? ULMNm 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 1 3 RMSD = 1.49 A TRANSFORM -0.5392 0.7589 0.3650 -0.0053 0.4303 -0.9026 -0.8421 -0.4887 -0.2280 -5.312 -11.375 49.540 A 57 HIS A 94 HIS~? A 102 ASP A 64 ASP~? A 193 GLY A 85 GLY~? ULMNm 3 2odj_o00 PORIN D user 1 3 RMSD = 1.50 A TRANSFORM 0.9717 0.2261 0.0683 0.1609 -0.8452 0.5096 0.1729 -0.4842 -0.8577 -10.315 68.005 26.041 A 156 HIS A 94 HIS~? A 208 ASP A 100 ASP~? A 296 SER A 41 SER~?