*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 0.77 A TRANSFORM 0.0971 0.7461 -0.6588 0.1036 -0.6659 -0.7388 -0.9899 0.0035 -0.1419 12.483 -67.143 -117.372 A 420 ALA A 9 ALA~? B 182 GLY A 105 GLY.? B 183 GLY A 106 GLY.? ULMNm 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 2 3 RMSD = 0.84 A TRANSFORM 0.1395 -0.1110 -0.9840 0.5568 -0.8130 0.1706 -0.8189 -0.5716 -0.0516 13.972 38.653 111.801 B 59 GLU A 104 GLU^? B 128 HIS A 79 HIS^? C 263 HIS A 41 HIS.? ULMNm 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 2 3 RMSD = 0.86 A TRANSFORM -0.4953 0.1361 0.8580 0.5714 0.7950 0.2038 -0.6543 0.5912 -0.4715 5.951 -44.507 50.545 A 263 HIS A 41 HIS.? D 59 GLU A 104 GLU^? D 128 HIS A 79 HIS^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 0.95 A TRANSFORM -0.4147 0.5899 -0.6929 -0.3887 0.5736 0.7210 0.8227 0.5683 -0.0086 23.819 -130.454 -159.305 A 420 ALA A 35 ALA^? B 182 GLY A 105 GLY.? B 183 GLY A 106 GLY.? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 0.96 A TRANSFORM -0.0529 -0.9880 0.1452 -0.7116 0.1393 0.6886 -0.7006 -0.0669 -0.7104 -56.128 8.957 50.097 F 49 ASP A 99 ASP^? F 86 HIS A 111 HIS.? F 250 ALA A 45 ALA.? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 3 3 RMSD = 0.96 A TRANSFORM 0.3656 0.7294 0.5782 0.1441 0.5694 -0.8093 -0.9196 0.3792 0.1031 -7.351 3.721 18.825 B 99 ARG A 88 ARG.? B 101 ASP A 92 ASP.? B 132 ASP A 117 ASP.? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 3 3 RMSD = 0.96 A TRANSFORM -0.3735 -0.7334 -0.5680 -0.2259 -0.5219 0.8225 -0.8997 0.4355 0.0292 30.358 21.959 17.757 A 99 ARG A 88 ARG.? A 101 ASP A 92 ASP.? A 132 ASP A 117 ASP.? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 3 3 RMSD = 0.97 A TRANSFORM 0.3393 0.7448 0.5746 0.1269 0.5690 -0.8125 -0.9321 0.3486 0.0985 -7.213 4.151 19.338 B 99 ARG A 88 ARG.? B 101 ASP A 92 ASP.? B 132 ASP A 117 ASP.? ULMNm 3 1qrz_c23 PLASMINOGEN user 2 3 RMSD = 0.98 A TRANSFORM -0.0047 -0.3314 0.9435 -0.8257 0.5335 0.1833 -0.5641 -0.7782 -0.2761 -41.328 -22.264 71.447 D 603 HIS A 41 HIS.? D 646 ASP A 113 ASP.? D 739 GLY A 37 GLY^? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 3 3 RMSD = 1.00 A TRANSFORM -0.3688 -0.7390 -0.5639 -0.2417 -0.5095 0.8258 -0.8975 0.4408 0.0093 30.471 21.981 17.737 A 99 ARG A 88 ARG.? A 101 ASP A 92 ASP.? A 132 ASP A 117 ASP.? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.01 A TRANSFORM -0.0239 0.9859 -0.1653 -0.7331 0.0951 0.6734 0.6797 0.1373 0.7206 -5.822 -26.207 8.995 A 49 ASP A 99 ASP^? A 86 HIS A 111 HIS.? A 250 ALA A 45 ALA.? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.01 A TRANSFORM -0.0239 0.9859 -0.1653 -0.7331 0.0951 0.6734 0.6797 0.1373 0.7206 -5.822 -26.207 8.995 A 49 ASP A 99 ASP^? A 86 HIS A 111 HIS.? A 250 ALA A 45 ALA.? ULMNm 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.04 A TRANSFORM -0.5712 0.7700 0.2843 0.5110 0.6047 -0.6109 -0.6423 -0.2036 -0.7389 36.876 -26.881 24.212 C 49 ASP A 99 ASP^? C 86 HIS A 111 HIS.? C 250 ALA A 45 ALA.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.06 A TRANSFORM -0.6808 -0.0085 0.7324 -0.6244 -0.5161 -0.5864 0.3830 -0.8565 0.3461 29.866 43.145 40.352 A 316 ALA A 93 ALA.? A 317 GLY A 94 GLY.? A 318 ASP A 92 ASP.? ULMNm 3 1qrz_c20 PLASMINOGEN user 2 3 RMSD = 1.06 A TRANSFORM 0.5060 0.6523 0.5643 0.8534 -0.4736 -0.2179 0.1251 0.5918 -0.7963 -41.129 14.403 14.994 A 603 HIS A 41 HIS.? A 646 ASP A 113 ASP.? A 739 GLY A 37 GLY^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.08 A TRANSFORM 0.4118 0.7297 -0.5458 -0.7576 0.6070 0.2400 0.5064 0.3147 0.8028 137.029 21.182 -22.464 A 316 ALA A 93 ALA.? A 317 GLY A 94 GLY.? A 318 ASP A 92 ASP.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.09 A TRANSFORM 0.7679 -0.3795 -0.5161 -0.4589 0.2363 -0.8565 0.4470 0.8945 0.0073 24.305 -3.127 -18.739 A 250 ALA A 93 ALA.? A 251 GLY A 94 GLY.? A 252 ASP A 92 ASP.? ULMNm 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.10 A TRANSFORM -0.7468 0.1565 0.6464 -0.0108 -0.9746 0.2236 0.6650 0.1600 0.7295 33.949 -29.952 -25.380 D 49 ASP A 99 ASP^? D 86 HIS A 111 HIS.? D 250 ALA A 45 ALA.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.11 A TRANSFORM 0.5975 -0.3399 0.7263 -0.4594 0.5972 0.6575 -0.6572 -0.7265 0.2006 3.434 -28.047 -34.107 B 250 ALA A 93 ALA.? B 251 GLY A 94 GLY.? B 252 ASP A 92 ASP.? ULMNm 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.11 A TRANSFORM -0.5635 -0.5928 0.5754 -0.5506 0.7887 0.2734 -0.6159 -0.1627 -0.7708 -7.094 -24.267 58.456 B 49 ASP A 99 ASP^? B 86 HIS A 111 HIS.? B 250 ALA A 45 ALA.? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.12 A TRANSFORM 0.5610 0.6028 -0.5673 -0.5789 0.7756 0.2516 0.5916 0.1873 0.7841 -55.084 9.668 1.752 E 49 ASP A 99 ASP^? E 86 HIS A 111 HIS.? E 250 ALA A 45 ALA.? ULMNm 3 1qrz_c22 PLASMINOGEN user 2 3 RMSD = 1.13 A TRANSFORM 0.0278 -0.3702 0.9285 -0.8419 0.4922 0.2215 -0.5390 -0.7879 -0.2980 13.846 -21.239 33.460 C 603 HIS A 41 HIS.? C 646 ASP A 113 ASP.? C 739 GLY A 37 GLY^? ULMNm 3 1qrz_c21 PLASMINOGEN user 2 3 RMSD = 1.14 A TRANSFORM 0.5462 0.6165 0.5671 0.8184 -0.5371 -0.2043 0.1786 0.5757 -0.7979 -67.807 16.384 -22.940 B 603 HIS A 41 HIS.? B 646 ASP A 113 ASP.? B 739 GLY A 37 GLY^? ULMNm 3 1wbf_p00 PROTEIN (AGGLUTININ) user 1 3 RMSD = 1.14 A TRANSFORM -0.1985 0.9117 -0.3597 0.8336 0.3500 0.4273 0.5155 -0.2150 -0.8295 -12.390 -28.084 22.535 A 44 ASN A 124 ASN.? A 213 PRO A 125 PRO.? A 219 ASN A 121 ASN.? ULMNm 3 1avf_c04 GASTRICSIN user 1 3 RMSD = 1.17 A TRANSFORM -0.3964 -0.7232 0.5655 -0.2115 0.6713 0.7103 -0.8934 0.1620 -0.4191 0.609 -32.352 59.684 A 32 ASP A 26 ASP~? A 35 SER A 28 SER~? A 217 ASP A 57 ASP~? ULMNm 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 1 3 RMSD = 1.18 A TRANSFORM 0.6717 -0.6423 0.3692 0.3023 -0.2174 -0.9281 0.6764 0.7350 0.0482 23.672 52.351 2.848 34 ASP A 26 ASP~? 37 SER A 28 SER~? 216 ASP A 57 ASP~? ULMNm 3 1am5_c04 PEPSIN user 1 3 RMSD = 1.20 A TRANSFORM 0.5385 -0.7921 -0.2874 -0.4268 0.0377 -0.9036 0.7265 0.6093 -0.3178 19.751 31.124 130.447 32 ASP A 26 ASP~? 35 SER A 28 SER~? 215 ASP A 57 ASP~? ULMNm 3 1uk7_c00 3.07.01.0009 user 1 3 RMSD = 1.21 A TRANSFORM -0.4788 -0.2164 -0.8509 0.8474 -0.3674 -0.3834 -0.2297 -0.9045 0.3593 23.707 51.589 15.610 A 103 ALA A 45 ALA.? A 224 ASP A 99 ASP^? A 252 HIS A 111 HIS.? ULMNm 3 2qs9_o01 RETINOBLASTOMA-BINDING PROTEIN 9 user 1 3 RMSD = 1.21 A TRANSFORM 0.8798 -0.4752 -0.0071 0.4730 0.8742 0.1098 -0.0460 -0.1000 0.9939 15.516 25.397 3.290 B 75 SER A 42 SER.? B 138 ASP A 99 ASP^? B 165 HIS A 111 HIS.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.22 A TRANSFORM 0.5735 -0.5331 0.6220 0.2188 -0.6319 -0.7435 0.7894 0.5625 -0.2458 52.909 -69.533 -156.635 A 420 ALA A 35 ALA^? B 182 GLY A 106 GLY.? B 183 GLY A 105 GLY.? ULMNm 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 1 3 RMSD = 1.22 A TRANSFORM -0.3650 -0.2402 0.8995 0.2998 0.8844 0.3578 -0.8814 0.4002 -0.2508 14.827 -21.152 1.817 A 105 ALA A 45 ALA.? A 244 ASP A 99 ASP^? A 271 HIS A 111 HIS.? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.23 A TRANSFORM -0.3734 -0.3097 -0.8744 -0.8542 0.4824 0.1939 0.3618 0.8194 -0.4447 21.367 -26.640 -65.130 E 51 ALA A 45 ALA.? E 148 HIS A 111 HIS.? E 163 ASP A 99 ASP^? ULMNm 3 2qs9_o00 RETINOBLASTOMA-BINDING PROTEIN 9 user 1 3 RMSD = 1.24 A TRANSFORM -0.2843 0.4683 0.8366 -0.7632 -0.6387 0.0981 0.5803 -0.6106 0.5390 -15.992 32.200 26.696 A 75 SER A 42 SER.? A 138 ASP A 99 ASP^? A 165 HIS A 111 HIS.? ULMNm 3 1c4x_c00 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIEuser 1 3 RMSD = 1.24 A TRANSFORM 0.0441 -0.6737 0.7377 0.2589 0.7209 0.6429 -0.9649 0.1627 0.2062 44.472 36.391 15.407 A 110 SER A 42 SER.? A 235 ASP A 99 ASP^? A 263 HIS A 111 HIS.? ULMNm 3 1a8s_c00 CHLOROPEROXIDASE F user 1 3 RMSD = 1.24 A TRANSFORM -0.9672 -0.0305 0.2522 0.2514 -0.2584 0.9328 0.0367 0.9656 0.2576 18.960 83.075 34.594 94 SER A 42 SER.? 224 ASP A 99 ASP^? 253 HIS A 111 HIS.? ULMNm 3 1euu_c00 SIALIDASE user 1 3 RMSD = 1.24 A TRANSFORM -0.7231 -0.6282 -0.2873 0.5492 -0.2706 -0.7907 0.4189 -0.7295 0.5407 38.596 4.682 34.438 92 ASP A 26 ASP~? 260 GLU A 16 GLU~? 370 TYR A 33 TYR.? ULMNm 3 1e7q_c01 GDP-FUCOSE SYNTHETASE user 1 3 RMSD = 1.25 A TRANSFORM 0.9114 0.3975 0.1070 -0.3301 0.8610 -0.3870 -0.2459 0.3173 0.9159 34.792 -11.254 -5.670 A 107 ALA A 29 ALA~? A 136 TYR A 33 TYR.? A 140 LYS A 20 LYS~? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 2 3 RMSD = 1.25 A TRANSFORM 0.7505 0.6545 -0.0909 0.0290 -0.1701 -0.9850 -0.6602 0.7366 -0.1467 -24.586 40.646 -10.931 A 10 ASP A 78 ASP.? A 186 ASN A 10 ASN~? A 260 ALA A 5 ALA~? ULMNm 3 1avf_c05 GASTRICSIN user 1 3 RMSD = 1.25 A TRANSFORM 0.8099 -0.2456 0.5327 0.2295 -0.7031 -0.6730 0.5398 0.6673 -0.5131 -47.141 17.447 9.523 J 32 ASP A 26 ASP~? J 35 SER A 28 SER~? J 217 ASP A 57 ASP~? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 1 3 RMSD = 1.25 A TRANSFORM 0.4696 -0.8292 -0.3032 -0.8578 -0.5098 0.0656 -0.2090 0.2293 -0.9507 49.846 32.630 48.591 32 ASP A 26 ASP~? 35 SER A 28 SER~? 215 ASP A 57 ASP~? ULMNm 3 1bbs_c07 RENIN user 1 3 RMSD = 1.26 A TRANSFORM -0.7283 0.6605 0.1823 0.5396 0.3890 0.7466 0.4223 0.6422 -0.6398 41.420 14.191 72.356 32 ASP A 26 ASP~? 35 SER A 28 SER~? 215 ASP A 57 ASP~? ULMNm 3 1bbs_c06 RENIN user 1 3 RMSD = 1.26 A TRANSFORM -0.7283 0.6605 0.1823 0.5396 0.3890 0.7466 0.4223 0.6422 -0.6398 41.420 14.191 72.356 32 ASP A 26 ASP~? 35 SER A 28 SER~? 215 ASP A 57 ASP~? ULMNm 3 1jkm_c01 BREFELDIN A ESTERASE user 1 3 RMSD = 1.27 A TRANSFORM -0.6564 -0.2081 0.7252 0.7462 -0.3211 0.5832 0.1115 0.9239 0.3660 72.867 5.711 -2.199 B 202 SER A 42 SER.? B 308 ASP A 99 ASP^? B 338 HIS A 111 HIS.? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 1 3 RMSD = 1.27 A TRANSFORM -0.4426 0.8307 0.3376 -0.1341 -0.4336 0.8911 0.8866 0.3491 0.3033 11.325 51.632 83.010 35 ASP A 26 ASP~? 38 SER A 28 SER~? 218 ASP A 57 ASP~? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.27 A TRANSFORM -0.8122 0.5300 -0.2437 -0.0752 0.3191 0.9447 0.5785 0.7857 -0.2193 -34.810 -34.278 2.371 C 51 ALA A 45 ALA.? C 148 HIS A 111 HIS.? C 163 ASP A 99 ASP^? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.28 A TRANSFORM 0.7757 -0.6046 -0.1807 -0.4016 -0.2522 -0.8804 0.4868 0.7555 -0.4385 15.266 33.665 5.884 A 51 ALA A 45 ALA.? A 148 HIS A 111 HIS.? A 163 ASP A 99 ASP^? ULMNm 3 1dwo_c01 HYDROXYNITRILE LYASE user 1 3 RMSD = 1.28 A TRANSFORM 0.5190 0.2030 -0.8303 -0.8469 0.2533 -0.4675 0.1154 0.9459 0.3033 50.813 17.527 73.731 B 80 SER A 42 SER.? B 208 ASP A 99 ASP^? B 236 HIS A 111 HIS.? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 1 3 RMSD = 1.28 A TRANSFORM -0.4034 -0.0258 -0.9146 -0.7069 0.6435 0.2936 0.5810 0.7650 -0.2779 9.881 39.816 24.867 A 32 ASP A 26 ASP~? A 35 SER A 28 SER~? A 215 ASP A 57 ASP~? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.28 A TRANSFORM -0.0995 0.2517 0.9627 -0.7374 0.6309 -0.2412 -0.6681 -0.7339 0.1229 -46.918 -22.962 4.055 G 51 ALA A 45 ALA.? G 148 HIS A 111 HIS.? G 163 ASP A 99 ASP^? ULMNm 3 1qfm_c00 PROLYL OLIGOPEPTIDASE user 1 3 RMSD = 1.28 A TRANSFORM 0.3854 -0.0676 0.9202 0.7307 0.6314 -0.2596 -0.5635 0.7725 0.2928 32.336 23.407 61.609 A 554 SER A 42 SER.? A 641 ASP A 99 ASP^? A 680 HIS A 111 HIS.? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.28 A TRANSFORM 0.8112 -0.5343 0.2377 -0.0636 0.3234 0.9441 -0.5813 -0.7810 0.2284 2.420 -34.549 74.101 D 51 ALA A 45 ALA.? D 148 HIS A 111 HIS.? D 163 ASP A 99 ASP^? ULMNm 3 1jkm_c00 BREFELDIN A ESTERASE user 1 3 RMSD = 1.29 A TRANSFORM 0.9952 0.0808 -0.0549 0.0561 -0.0126 0.9983 0.0799 -0.9967 -0.0171 32.434 12.339 45.462 A 202 SER A 42 SER.? A 308 ASP A 99 ASP^? A 338 HIS A 111 HIS.? ULMNm 3 1sme_c05 PLASMEPSIN II user 1 3 RMSD = 1.29 A TRANSFORM 0.2479 0.8790 0.4073 -0.3201 0.4711 -0.8219 -0.9144 0.0734 0.3982 -19.265 104.410 46.374 B 34 ASP A 26 ASP~? B 37 SER A 28 SER~? B 214 ASP A 57 ASP~? ULMNm 3 1dwo_c00 HYDROXYNITRILE LYASE user 1 3 RMSD = 1.31 A TRANSFORM 0.5919 0.5111 0.6233 0.0240 -0.7841 0.6201 0.8057 -0.3521 -0.4764 33.411 59.903 132.405 A 80 SER A 42 SER.? A 208 ASP A 99 ASP^? A 236 HIS A 111 HIS.? ULMNm 3 1zoi_c01 ESTERASE user 1 3 RMSD = 1.31 A TRANSFORM 0.6945 0.4723 0.5428 0.1271 0.6620 -0.7387 -0.7081 0.5820 0.3997 49.569 -16.049 16.924 B 97 SER A 42 SER.? B 227 ASP A 99 ASP^? B 256 HIS A 111 HIS.? ULMNm 3 1zoi_c00 ESTERASE user 1 3 RMSD = 1.31 A TRANSFORM 0.7111 0.4845 0.5095 0.5466 -0.8368 0.0330 0.4423 0.2551 -0.8598 49.465 43.313 54.327 A 97 SER A 42 SER.? A 227 ASP A 99 ASP^? A 256 HIS A 111 HIS.? ULMNm 3 1zoi_c02 ESTERASE user 1 3 RMSD = 1.31 A TRANSFORM 0.7119 0.4326 0.5532 -0.6728 0.1945 0.7138 0.2013 -0.8803 0.4295 51.491 -18.431 87.080 C 97 SER A 42 SER.? C 227 ASP A 99 ASP^? C 256 HIS A 111 HIS.? ULMNm 3 1a7u_c02 CHLOROPEROXIDASE T user 1 3 RMSD = 1.33 A TRANSFORM -0.8423 0.3935 -0.3683 0.1802 -0.4385 -0.8805 -0.5079 -0.8080 0.2985 3.613 53.983 54.269 A 98 SER A 42 SER.? A 228 ASP A 99 ASP^? A 257 HIS A 111 HIS.? ULMNm 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 1 3 RMSD = 1.33 A TRANSFORM 0.9057 0.0507 -0.4210 0.0305 0.9824 0.1841 0.4229 -0.1796 0.8882 13.424 0.090 -5.586 P 32 ASP A 26 ASP~? P 35 SER A 28 SER~? P 215 ASP A 57 ASP~? ULMNm 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 2 3 RMSD = 1.33 A TRANSFORM 0.8559 0.0865 0.5099 -0.0738 -0.9554 0.2859 0.5118 -0.2824 -0.8113 -28.069 90.241 32.799 A 104 ILE A 100 ILE^? A 106 HIS A 111 HIS.? A 142 ASP A 113 ASP.? ULMNm 3 1tah_c01 LIPASE user 1 3 RMSD = 1.33 A TRANSFORM -0.6786 -0.7339 0.0287 -0.6633 0.5956 -0.4530 0.3154 -0.3264 -0.8911 41.764 -69.377 4.057 A 87 SER A 42 SER.? A 263 ASP A 99 ASP^? A 285 HIS A 111 HIS.? ULMNm 3 1tah_c03 LIPASE user 1 3 RMSD = 1.34 A TRANSFORM 0.0732 0.7989 -0.5970 0.0434 0.5955 0.8022 0.9964 -0.0846 0.0089 -51.371 -74.428 -17.808 D 87 SER A 42 SER.? D 263 ASP A 99 ASP^? D 285 HIS A 111 HIS.? ULMNm 3 1tah_c00 LIPASE user 1 3 RMSD = 1.34 A TRANSFORM -0.3637 -0.9168 0.1648 0.9278 -0.3407 0.1522 -0.0834 0.2082 0.9745 45.065 -92.251 -15.479 B 87 SER A 42 SER.? B 263 ASP A 99 ASP^? B 285 HIS A 111 HIS.? ULMNm 3 1tah_c02 LIPASE user 1 3 RMSD = 1.34 A TRANSFORM -0.5171 0.8279 0.2172 0.0957 -0.1963 0.9759 0.8505 0.5254 0.0222 -30.571 -65.051 0.251 C 87 SER A 42 SER.? C 263 ASP A 99 ASP^? C 285 HIS A 111 HIS.? ULMNm 3 2odj_o00 PORIN D user 1 3 RMSD = 1.34 A TRANSFORM 0.9661 -0.1481 -0.2116 0.1523 0.9883 0.0038 0.2086 -0.0359 0.9773 14.236 -13.030 26.313 A 156 HIS A 41 HIS.? A 208 ASP A 78 ASP.? A 296 SER A 27 SER~? ULMNm 3 3zwq_o01 ALPHA/BETA HYDROLASE FOLD-3 DOMAIN Puser 1 3 RMSD = 1.35 A TRANSFORM 0.4643 -0.6689 -0.5806 0.5638 -0.2823 0.7761 -0.6830 -0.6877 0.2461 -21.095 -13.834 51.419 B 157 SER A 42 SER.? B 254 ASP A 99 ASP^? B 284 HIS A 111 HIS.? ULMNm 3 3o4g_o02 ACYLAMINO-ACID-RELEASING ENZYME user 1 3 RMSD = 1.35 A TRANSFORM -0.0662 -0.0450 -0.9968 0.9326 -0.3581 -0.0458 -0.3549 -0.9326 0.0657 -31.720 6.591 81.085 C 445 SER A 42 SER.? C 524 ASP A 99 ASP^? C 556 HIS A 111 HIS.? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 1 3 RMSD = 1.35 A TRANSFORM 0.5465 0.8351 -0.0627 -0.4362 0.2199 -0.8726 -0.7149 0.5042 0.4845 0.338 29.064 -5.304 E 33 ASP A 26 ASP~? E 36 SER A 28 SER~? E 213 ASP A 57 ASP~? ULMNm 3 3zwq_o00 ALPHA/BETA HYDROLASE FOLD-3 DOMAIN Puser 1 3 RMSD = 1.35 A TRANSFORM -0.5758 0.7770 0.2543 0.3719 -0.0281 0.9279 0.7281 0.6288 -0.2728 -37.618 -16.912 -11.715 A 157 SER A 42 SER.? A 254 ASP A 99 ASP^? A 284 HIS A 111 HIS.? ULMNm 3 1a8q_c00 BROMOPEROXIDASE A1 user 1 3 RMSD = 1.35 A TRANSFORM 0.3729 0.4863 -0.7902 -0.6332 0.7559 0.1664 0.6782 0.4384 0.5898 30.189 -16.454 -11.230 94 SER A 42 SER.? 223 ASP A 99 ASP^? 252 HIS A 111 HIS.? ULMNm 3 3o4g_o00 ACYLAMINO-ACID-RELEASING ENZYME user 1 3 RMSD = 1.36 A TRANSFORM -0.8787 -0.4736 -0.0604 -0.3984 0.6574 0.6396 -0.2632 0.5861 -0.7663 27.138 -5.966 -17.955 A 445 SER A 42 SER.? A 524 ASP A 99 ASP^? A 556 HIS A 111 HIS.? ULMNm 3 3o4g_o00 ACYLAMINO-ACID-RELEASING ENZYME user 1 3 RMSD = 1.36 A TRANSFORM -0.8787 -0.4736 -0.0604 -0.3984 0.6574 0.6396 -0.2632 0.5861 -0.7663 27.138 -5.966 -17.955 A 445 SER A 42 SER.? A 524 ASP A 99 ASP^? A 556 HIS A 111 HIS.? ULMNm 3 1a7u_c03 CHLOROPEROXIDASE T user 1 3 RMSD = 1.36 A TRANSFORM -0.1201 0.9435 0.3090 -0.3152 0.2589 -0.9130 -0.9414 -0.2070 0.2663 5.264 68.316 11.128 B 98 SER A 42 SER.? B 228 ASP A 99 ASP^? B 257 HIS A 111 HIS.? ULMNm 3 2lip_c00 LIPASE user 1 3 RMSD = 1.36 A TRANSFORM -0.8984 0.2228 -0.3784 -0.4282 -0.6355 0.6425 -0.0973 0.7393 0.6664 9.167 40.857 -0.623 87 SER A 42 SER.? 264 ASP A 99 ASP^? 286 HIS A 111 HIS.? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.37 A TRANSFORM -0.7652 0.4305 -0.4786 -0.1914 0.5577 0.8077 0.6146 0.7097 -0.3444 0.756 -36.022 -63.527 E 51 ALA A 45 ALA.? E 148 HIS A 111 HIS.? E 163 ASP A 113 ASP.? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.37 A TRANSFORM -0.4108 -0.0653 0.9094 -0.7860 0.5307 -0.3170 -0.4619 -0.8450 -0.2694 -28.440 33.000 84.481 D 603 HIS A 11 HIS~? D 646 ASP A 12 ASP~? D 739 GLY A 105 GLY.? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 1 3 RMSD = 1.37 A TRANSFORM 0.6932 -0.3472 -0.6316 0.6907 0.0695 0.7198 -0.2060 -0.9352 0.2879 68.297 0.080 30.490 A 32 ASP A 26 ASP~? A 35 SER A 28 SER~? A 218 ASP A 57 ASP~? ULMNm 3 1pfq_c01 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.37 A TRANSFORM -0.1983 0.8857 0.4197 -0.4405 0.3019 -0.8455 -0.8756 -0.3526 0.3303 -17.482 9.624 48.079 B 630 SER A 42 SER.? B 708 ASP A 99 ASP^? B 740 HIS A 111 HIS.? ULMNm 3 2xmz_o00 HYDROLASE, ALPHA/BETA HYDROLASE FOLDuser 1 3 RMSD = 1.38 A TRANSFORM 0.7606 0.6450 -0.0738 -0.4685 0.4665 -0.7503 -0.4495 0.6052 0.6570 -5.763 2.187 3.805 A 89 SER A 42 SER.? A 216 ASP A 99 ASP^? A 243 HIS A 111 HIS.? ULMNm 3 1pfq_c00 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.39 A TRANSFORM 0.4020 -0.9015 0.1604 -0.1326 -0.2306 -0.9640 0.9060 0.3663 -0.2122 12.923 16.005 -5.018 A 630 SER A 42 SER.? A 708 ASP A 99 ASP^? A 740 HIS A 111 HIS.? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.39 A TRANSFORM 0.4470 -0.3349 0.8295 -0.1793 0.8749 0.4499 -0.8764 -0.3498 0.3310 -33.084 -36.680 -7.149 G 51 ALA A 45 ALA.? G 148 HIS A 111 HIS.? G 163 ASP A 113 ASP.? ULMNm 3 2xmz_o00 HYDROLASE, ALPHA/BETA HYDROLASE FOLDuser 2 3 RMSD = 1.40 A TRANSFORM -0.2309 0.9726 0.0257 -0.1680 -0.0138 -0.9857 -0.9584 -0.2319 0.1666 -12.906 21.123 45.297 A 89 SER A 73 SER^? A 216 ASP A 12 ASP~? A 243 HIS A 11 HIS~? ULMNm 3 1sme_c04 PLASMEPSIN II user 1 3 RMSD = 1.40 A TRANSFORM 0.3367 0.0474 0.9404 -0.2497 0.9675 0.0407 -0.9079 -0.2485 0.3376 26.770 32.258 23.473 A 34 ASP A 26 ASP~? A 37 SER A 28 SER~? A 214 ASP A 57 ASP~? ULMNm 3 1azw_c00 PROLINE IMINOPEPTIDASE user 1 3 RMSD = 1.41 A TRANSFORM -0.3830 0.5906 0.7103 0.9052 0.0866 0.4161 0.1842 0.8023 -0.5677 17.217 19.395 59.596 A 110 SER A 42 SER.? A 266 ASP A 99 ASP^? A 294 HIS A 111 HIS.? ULMNm 3 1qrz_c22 PLASMINOGEN user 1 3 RMSD = 1.42 A TRANSFORM -0.3542 0.5884 -0.7269 -0.2765 0.6766 0.6825 0.8934 0.4427 -0.0770 -6.815 -32.446 -23.218 C 603 HIS A 11 HIS~? C 646 ASP A 76 ASP^? C 739 GLY A 106 GLY.? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 1 3 RMSD = 1.42 A TRANSFORM 0.8635 0.2884 0.4137 0.2670 0.4346 -0.8601 -0.4278 0.8532 0.2983 13.653 -7.876 -18.701 B 46 HIS A 111 HIS.? B 163 ALA A 45 ALA.? B 182 SER A 42 SER.? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.42 A TRANSFORM -0.7541 0.4712 -0.4575 0.1688 -0.5341 -0.8284 -0.6347 -0.7019 0.3232 -0.663 35.242 1.385 F 51 ALA A 45 ALA.? F 148 HIS A 111 HIS.? F 163 ASP A 113 ASP.? ULMNm 3 1azw_c01 PROLINE IMINOPEPTIDASE user 1 3 RMSD = 1.43 A TRANSFORM -0.3401 -0.4570 -0.8218 0.9249 -0.3203 -0.2047 -0.1696 -0.8298 0.5317 65.696 38.361 55.681 B 110 SER A 42 SER.? B 266 ASP A 99 ASP^? B 294 HIS A 111 HIS.? ULMNm 3 1ysc_c01 SERINE CARBOXYPEPTIDASE (CPY, CPD-Y,user 1 3 RMSD = 1.43 A TRANSFORM -0.6572 0.3978 0.6402 -0.7536 -0.3651 -0.5467 0.0163 -0.8417 0.5397 36.183 10.985 54.262 146 SER A 42 SER.? 338 ASP A 99 ASP^? 397 HIS A 111 HIS.? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 3 RMSD = 1.43 A TRANSFORM -0.3228 -0.6844 -0.6537 0.3861 -0.7258 0.5693 -0.8641 -0.0686 0.4986 62.728 126.565 27.310 193 ASP A 78 ASP.? 219 GLU A 7 GLU~? 294 ASP A 76 ASP^? ULMNm 3 1qrz_c20 PLASMINOGEN user 1 3 RMSD = 1.44 A TRANSFORM -0.9638 -0.2339 -0.1277 0.2567 -0.6863 -0.6805 0.0716 -0.6887 0.7215 6.608 26.883 51.496 A 603 HIS A 11 HIS~? A 646 ASP A 76 ASP^? A 739 GLY A 106 GLY.? ULMNm 3 2dbt_c00 CHITINASE C user 1 3 RMSD = 1.44 A TRANSFORM -0.5529 0.4504 0.7010 0.3533 -0.6352 0.6868 0.7546 0.6274 0.1921 53.290 40.316 -23.022 A 147 GLU A 104 GLU^? A 156 GLU A 110 GLU.? A 194 ASN A 10 ASN~? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.44 A TRANSFORM 0.0639 -0.6357 -0.7693 -0.7594 0.4692 -0.4508 0.6475 0.6130 -0.4527 23.447 13.166 9.569 A 51 ALA A 45 ALA.? A 148 HIS A 111 HIS.? A 163 ASP A 113 ASP.? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 1 3 RMSD = 1.44 A TRANSFORM -0.4928 -0.1016 -0.8642 -0.6999 0.6364 0.3243 0.5170 0.7647 -0.3847 47.235 67.782 19.106 A 228 ASP A 92 ASP.? A 261 ASP A 99 ASP^? A 329 ASP A 117 ASP.? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 1 3 RMSD = 1.45 A TRANSFORM 0.7498 0.4898 0.4448 0.6592 -0.6111 -0.4383 0.0571 0.6218 -0.7811 -16.634 41.787 72.438 32 ASP A 26 ASP~? 35 SER A 28 SER~? 215 ASP A 57 ASP~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 2 3 RMSD = 1.45 A TRANSFORM -0.4317 -0.3490 -0.8318 -0.8436 0.4826 0.2354 0.3192 0.8033 -0.5028 48.641 71.877 22.048 A 228 ASP A 92 ASP.? A 261 ASP A 113 ASP.? A 329 ASP A 117 ASP.? ULMNm 3 2tmd_c01 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.45 A TRANSFORM -0.3459 0.9150 -0.2076 -0.8673 -0.2274 0.4427 0.3579 0.3332 0.8723 16.940 6.625 14.023 B 169 TYR A 38 TYR^? B 172 HIS A 111 HIS.? B 267 ASP A 99 ASP^? ULMNm 3 2tmd_c00 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.46 A TRANSFORM 0.2027 -0.8972 0.3925 -0.3038 0.3234 0.8962 -0.9309 -0.3008 -0.2070 52.646 2.171 12.964 A 169 TYR A 38 TYR^? A 172 HIS A 111 HIS.? A 267 ASP A 99 ASP^? ULMNm 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 1 3 RMSD = 1.47 A TRANSFORM 0.6851 0.6181 -0.3855 0.7261 -0.6214 0.2943 -0.0576 -0.4815 -0.8745 -9.820 9.894 34.550 86 HIS A 85 HIS^? 89 GLU A 87 GLU^? 243 ASN A 121 ASN.? ULMNm 3 1qrz_c23 PLASMINOGEN user 3 3 RMSD = 1.47 A TRANSFORM -0.8238 0.0663 0.5630 0.2918 -0.8018 0.5214 0.4860 0.5938 0.6412 -42.029 1.267 22.763 D 603 HIS A 83 HIS^? D 646 ASP A 99 ASP^? D 739 GLY A 94 GLY.? ULMNm 3 1qrz_c21 PLASMINOGEN user 1 3 RMSD = 1.47 A TRANSFORM -0.9503 -0.2565 -0.1764 0.3036 -0.6388 -0.7069 0.0686 -0.7254 0.6849 -20.146 24.504 14.822 B 603 HIS A 11 HIS~? B 646 ASP A 76 ASP^? B 739 GLY A 106 GLY.? ULMNm 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 2 3 RMSD = 1.47 A TRANSFORM 0.4452 0.8578 0.2568 0.8302 -0.5029 0.2405 0.3355 0.1061 -0.9360 -17.827 7.215 20.417 86 HIS A 85 HIS^? 89 GLU A 87 GLU^? 243 ASN A 124 ASN.? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.48 A TRANSFORM 0.2864 -0.8346 -0.4705 0.5125 -0.2814 0.8113 -0.8095 -0.4735 0.3472 17.663 -20.322 65.631 D 51 ALA A 45 ALA.? D 148 HIS A 111 HIS.? D 163 ASP A 113 ASP.? ULMNm 3 1sll_c00 SIALIDASE L user 1 3 RMSD = 1.48 A TRANSFORM 0.1880 -0.8638 -0.4675 0.8194 0.4004 -0.4103 0.5416 -0.3060 0.7830 41.124 -4.774 25.625 318 ASP A 26 ASP~? 595 GLU A 16 GLU~? 713 TYR A 33 TYR.? ULMNm 3 1qrz_c23 PLASMINOGEN user 1 3 RMSD = 1.50 A TRANSFORM -0.3842 0.6153 -0.6883 -0.2839 0.6307 0.7222 0.8785 0.4729 -0.0676 -61.592 -30.672 14.121 D 603 HIS A 11 HIS~? D 646 ASP A 76 ASP^? D 739 GLY A 106 GLY.? ULMNm 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 1 3 RMSD = 1.50 A TRANSFORM -0.4523 -0.6857 -0.5703 -0.8913 0.3249 0.3163 -0.0316 0.6513 -0.7581 31.104 27.644 -4.427 B 40 HIS A 41 HIS.? B 58 GLU A 110 GLU.? B 92 HIS A 79 HIS^? ULMNm 3 2odj_o01 PORIN D user 1 3 RMSD = 1.50 A TRANSFORM -0.1836 -0.0072 -0.9830 -0.2907 -0.9549 0.0613 -0.9390 0.2970 0.1732 -2.676 22.273 69.759 B 156 HIS A 41 HIS.? B 208 ASP A 78 ASP.? B 296 SER A 27 SER~?