*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1pvd_c00 PYRUVATE DECARBOXYLASE (PDC) (E.C.4.user 1 4 RMSD = 1.35 A TRANSFORM 0.7594 -0.5142 -0.3985 -0.4777 -0.8566 0.1950 -0.4417 0.0423 -0.8962 18.663 18.249 59.241 A 28 ASP B 105 ASP~? A 114 HIS B 99 HIS~? A 115 HIS B 95 HIS~? A 477 GLU A 23 GLU~? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 4 3 RMSD = 0.77 A TRANSFORM -0.6648 0.5263 0.5302 0.6347 0.7722 0.0295 -0.3939 0.3561 -0.8474 -25.889 -18.832 48.223 30 GLY B 46 GLY^? 48 HIS B 99 HIS~? 99 ASP B 105 ASP~? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 2 3 RMSD = 0.81 A TRANSFORM 0.6202 -0.5767 0.5318 -0.7115 -0.6990 0.0717 0.3304 -0.4228 -0.8438 0.737 25.111 41.021 30 GLY A 46 GLY^? 48 HIS A 99 HIS~? 99 ASP A 105 ASP~? ULMNm 3 1ndo_c02 NAPTHALENE 1,2-DIOXYGENASE user 1 3 RMSD = 0.84 A TRANSFORM 0.6914 -0.7052 0.1568 -0.6179 -0.4648 0.6341 -0.3743 -0.5353 -0.7572 27.749 61.639 56.723 C 205 ASP A 105 ASP~? C 208 HIS A 95 HIS~? E 104 HIS A 99 HIS~? ULMNm 3 1ndo_c01 NAPTHALENE 1,2-DIOXYGENASE user 1 3 RMSD = 0.84 A TRANSFORM 0.2015 -0.9708 -0.1301 -0.2447 0.0787 -0.9664 0.9484 0.2266 -0.2217 40.803 36.645 20.930 A 104 HIS A 99 HIS~? E 205 ASP A 105 ASP~? E 208 HIS A 95 HIS~? ULMNm 3 4kbp_c03 PURPLE ACID PHOSPHATASE user 2 3 RMSD = 0.88 A TRANSFORM -0.4272 -0.0778 -0.9008 -0.7378 -0.5459 0.3970 -0.5226 0.8342 0.1758 106.063 129.063 9.793 D 202 HIS B 109 HIS~? D 295 HIS B 99 HIS~? D 296 HIS B 95 HIS~? ULMNm 3 4kbp_c01 PURPLE ACID PHOSPHATASE user 2 3 RMSD = 0.88 A TRANSFORM 0.4454 -0.8335 -0.3270 -0.8152 -0.5286 0.2368 -0.3702 0.1610 -0.9149 66.785 45.389 92.067 B 202 HIS B 109 HIS~? B 295 HIS B 99 HIS~? B 296 HIS B 95 HIS~? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 0.88 A TRANSFORM 0.1940 -0.7826 0.5915 0.8532 0.4322 0.2921 -0.4842 0.4480 0.7515 -47.485 -31.411 -31.551 G 51 ALA A 98 ALA~? G 148 HIS A 99 HIS~? G 163 ASP A 105 ASP~? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 0.89 A TRANSFORM -0.7828 -0.5038 -0.3652 0.2663 -0.8017 0.5352 -0.5624 0.3217 0.7617 14.927 -32.655 39.708 D 51 ALA A 98 ALA~? D 148 HIS A 99 HIS~? D 163 ASP A 105 ASP~? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 0.89 A TRANSFORM -0.8110 -0.1305 -0.5703 -0.0552 0.9875 -0.1475 0.5824 -0.0881 -0.8081 26.547 18.980 37.550 A 51 ALA A 98 ALA~? A 148 HIS A 99 HIS~? A 163 ASP A 105 ASP~? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 0.90 A TRANSFORM 0.7620 0.5483 0.3445 0.3257 -0.7843 0.5280 0.5597 -0.2902 -0.7762 -46.916 -33.193 37.174 C 51 ALA A 98 ALA~? C 148 HIS A 99 HIS~? C 163 ASP A 105 ASP~? ULMNm 3 4kbp_c02 PURPLE ACID PHOSPHATASE user 2 3 RMSD = 0.90 A TRANSFORM -0.4411 0.8349 0.3291 -0.6309 -0.5493 0.5479 0.6382 0.0341 0.7691 9.213 32.475 22.761 C 202 HIS B 109 HIS~? C 295 HIS B 99 HIS~? C 296 HIS B 95 HIS~? ULMNm 3 1ndo_c00 NAPTHALENE 1,2-DIOXYGENASE user 1 3 RMSD = 0.90 A TRANSFORM 0.6233 -0.6263 -0.4683 0.7815 0.4774 0.4017 -0.0281 -0.6163 0.7870 24.528 15.114 59.395 A 205 ASP A 105 ASP~? A 208 HIS A 95 HIS~? C 104 HIS A 99 HIS~? ULMNm 3 4kbp_c00 PURPLE ACID PHOSPHATASE user 2 3 RMSD = 0.91 A TRANSFORM 0.5718 -0.1866 0.7989 0.7357 0.5474 -0.3988 -0.3629 0.8158 0.4503 35.744 49.924 -1.483 A 202 HIS B 109 HIS~? A 295 HIS B 99 HIS~? A 296 HIS B 95 HIS~? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 0.91 A TRANSFORM -0.0797 0.9827 -0.1673 0.7123 0.1736 0.6801 0.6974 -0.0650 -0.7138 6.163 -43.001 -36.271 E 51 ALA A 98 ALA~? E 148 HIS A 99 HIS~? E 163 ASP A 105 ASP~? ULMNm 3 1ds2_c02 PROTEINASE B (SGPB user 4 3 RMSD = 0.91 A TRANSFORM -0.6676 0.6778 0.3081 0.5009 0.7150 -0.4876 -0.5508 -0.1712 -0.8169 -29.522 19.606 69.089 E 57 HIS B 99 HIS~? E 102 ASP B 105 ASP~? E 193 GLY B 46 GLY^? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 0.92 A TRANSFORM -0.0537 0.9864 -0.1556 -0.7062 -0.1477 -0.6925 -0.7060 0.0727 0.7045 5.363 42.699 -25.610 F 51 ALA A 98 ALA~? F 148 HIS A 99 HIS~? F 163 ASP A 105 ASP~? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 0.92 A TRANSFORM 0.7969 0.1472 0.5859 -0.1084 0.9890 -0.1010 -0.5943 0.0169 0.8041 -59.282 18.952 39.097 B 51 ALA A 98 ALA~? B 148 HIS A 99 HIS~? B 163 ASP A 105 ASP~? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 0.92 A TRANSFORM 0.2274 -0.7912 0.5677 -0.7974 -0.4859 -0.3577 0.5589 -0.3714 -0.7414 -47.905 30.303 -31.882 H 51 ALA A 98 ALA~? H 148 HIS A 99 HIS~? H 163 ASP A 105 ASP~? ULMNm 3 2isd_c00 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 2 3 RMSD = 0.94 A TRANSFORM -0.8951 0.2304 -0.3816 -0.0699 -0.9181 -0.3902 -0.4403 -0.3226 0.8379 133.944 94.547 3.209 A 311 HIS B 109 HIS~? A 341 GLU B 106 GLU~? A 356 HIS B 95 HIS~? ULMNm 3 2isd_c01 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 1 3 RMSD = 0.94 A TRANSFORM -0.2272 0.2885 -0.9301 -0.0657 -0.9575 -0.2809 -0.9716 -0.0027 0.2365 104.375 93.014 -26.895 B 311 HIS B 109 HIS~? B 341 GLU B 106 GLU~? B 356 HIS B 95 HIS~? ULMNm 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 4 3 RMSD = 0.97 A TRANSFORM 0.7917 0.1161 -0.5998 -0.6052 0.2837 -0.7438 0.0838 0.9518 0.2949 36.687 50.814 -31.806 A 57 HIS B 99 HIS~? A 102 ASP B 105 ASP~? A 193 GLY B 46 GLY^? ULMNm 3 1a0j_c14 TRYPSIN user 4 3 RMSD = 0.97 A TRANSFORM 0.8983 -0.3033 0.3178 -0.1704 -0.9073 -0.3843 0.4049 0.2911 -0.8668 32.274 94.759 99.705 C 57 HIS B 99 HIS~? C 102 ASP B 105 ASP~? C 193 GLY B 46 GLY^? ULMNm 3 1a0j_c15 TRYPSIN user 4 3 RMSD = 0.97 A TRANSFORM 0.1594 0.7993 -0.5794 0.5488 -0.5596 -0.6210 -0.8206 -0.2190 -0.5279 1.597 64.837 128.078 D 57 HIS B 99 HIS~? D 102 ASP B 105 ASP~? D 193 GLY B 46 GLY^? ULMNm 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 4 3 RMSD = 0.99 A TRANSFORM 0.9500 0.1960 -0.2432 -0.3086 0.7090 -0.6341 0.0482 0.6774 0.7340 -1.885 27.133 -16.811 B 57 HIS B 99 HIS~? B 102 ASP B 105 ASP~? B 193 GLY B 46 GLY^? ULMNm 3 1ds2_c02 PROTEINASE B (SGPB user 2 3 RMSD = 0.99 A TRANSFORM 0.5978 -0.7337 0.3231 -0.5814 -0.6743 -0.4554 0.5519 0.0844 -0.8296 -0.961 48.128 36.334 E 57 HIS A 99 HIS~? E 102 ASP A 105 ASP~? E 193 GLY A 46 GLY^? ULMNm 3 1a0j_c12 TRYPSIN user 4 3 RMSD = 1.00 A TRANSFORM -0.3463 0.1243 0.9299 -0.0122 0.9905 -0.1370 -0.9381 -0.0588 -0.3415 -20.403 7.459 79.381 A 57 HIS B 99 HIS~? A 102 ASP B 105 ASP~? A 193 GLY B 46 GLY^? ULMNm 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 5 3 RMSD = 1.01 A TRANSFORM 0.7865 0.1254 -0.6047 -0.6134 0.2723 -0.7414 0.0717 0.9540 0.2911 36.581 51.147 -31.691 A 57 HIS B 99 HIS~? A 102 ASP B 105 ASP~? A 193 GLY B 46 GLY^? ULMNm 3 1a0j_c13 TRYPSIN user 4 3 RMSD = 1.01 A TRANSFORM -0.5156 -0.4198 -0.7470 0.6757 -0.7353 -0.0531 -0.5269 -0.5321 0.6627 94.071 77.298 45.076 B 57 HIS B 99 HIS~? B 102 ASP B 105 ASP~? B 193 GLY B 46 GLY^? ULMNm 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 4 3 RMSD = 1.02 A TRANSFORM -0.3558 0.4633 -0.8116 -0.7886 0.3171 0.5268 0.5015 0.8275 0.2526 33.444 -2.697 -25.455 A 57 HIS B 95 HIS~? A 102 ASP B 105 ASP~? A 193 GLY B 46 GLY^? ULMNm 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 3 3 RMSD = 1.02 A TRANSFORM 0.0338 0.4686 -0.8828 -0.5162 0.7645 0.3861 0.8558 0.4427 0.2678 15.132 -16.725 10.763 B 57 HIS B 95 HIS~? B 102 ASP B 105 ASP~? B 193 GLY B 46 GLY^? ULMNm 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 3 3 RMSD = 1.03 A TRANSFORM -0.3555 0.4534 -0.8173 -0.7850 0.3297 0.5244 0.5073 0.8281 0.2388 34.013 -3.071 -24.938 A 57 HIS B 95 HIS~? A 102 ASP B 105 ASP~? A 193 GLY B 46 GLY^? ULMNm 3 1ds2_c02 PROTEINASE B (SGPB user 3 3 RMSD = 1.04 A TRANSFORM 0.2830 0.3974 0.8729 -0.1876 0.9155 -0.3559 -0.9406 -0.0630 0.3336 -42.949 7.420 17.784 E 57 HIS B 95 HIS~? E 102 ASP B 105 ASP~? E 193 GLY B 46 GLY^? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 1.04 A TRANSFORM -0.7006 -0.5981 0.3891 -0.4206 0.7867 0.4519 -0.5764 0.1530 -0.8027 -19.481 -71.947 56.000 C 51 ALA B 98 ALA~? C 148 HIS B 99 HIS~? C 163 ASP B 105 ASP~? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 1.05 A TRANSFORM 0.1896 -0.9789 -0.0761 -0.6990 -0.1889 0.6897 -0.6896 -0.0776 -0.7201 48.272 -40.204 -7.567 E 51 ALA B 98 ALA~? E 148 HIS B 99 HIS~? E 163 ASP B 105 ASP~? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 1.05 A TRANSFORM -0.2875 0.8057 0.5179 -0.8062 -0.4955 0.3233 0.5171 -0.3246 0.7920 -90.361 -5.560 -41.814 G 51 ALA B 98 ALA~? G 148 HIS B 99 HIS~? G 163 ASP B 105 ASP~? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 1.05 A TRANSFORM 0.8006 0.1685 -0.5751 0.1666 -0.9844 -0.0564 -0.5756 -0.0506 -0.8162 20.724 61.240 65.632 A 51 ALA B 98 ALA~? A 148 HIS B 99 HIS~? A 163 ASP B 105 ASP~? ULMNm 3 1a0j_c12 TRYPSIN user 3 3 RMSD = 1.05 A TRANSFORM 0.8288 -0.2173 0.5156 0.0852 0.9598 0.2675 -0.5530 -0.1777 0.8140 8.570 -7.909 35.768 A 57 HIS B 95 HIS~? A 102 ASP B 105 ASP~? A 193 GLY B 46 GLY^? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 1.05 A TRANSFORM 0.7282 0.5531 -0.4046 -0.3617 0.8117 0.4587 0.5822 -0.1877 0.7911 -10.573 -73.464 22.569 D 51 ALA B 98 ALA~? D 148 HIS B 99 HIS~? D 163 ASP B 105 ASP~? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 1.05 A TRANSFORM -0.3248 0.8078 0.4919 0.7433 0.5397 -0.3954 -0.5849 0.2372 -0.7757 -89.803 4.972 -17.227 H 51 ALA B 98 ALA~? H 148 HIS B 99 HIS~? H 163 ASP B 105 ASP~? ULMNm 3 1a0j_c13 TRYPSIN user 3 3 RMSD = 1.06 A TRANSFORM -0.9180 -0.3074 0.2504 -0.0608 -0.5149 -0.8551 0.3918 -0.8002 0.4540 48.877 102.583 62.839 B 57 HIS B 95 HIS~? B 102 ASP B 105 ASP~? B 193 GLY B 46 GLY^? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 3 3 RMSD = 1.06 A TRANSFORM 0.4609 0.1940 0.8660 0.3507 0.8566 -0.3785 -0.8152 0.4782 0.3268 -28.099 -4.698 -4.409 30 GLY B 46 GLY^? 48 HIS B 95 HIS~? 99 ASP B 105 ASP~? ULMNm 3 1a0j_c15 TRYPSIN user 3 3 RMSD = 1.06 A TRANSFORM -0.3368 0.9414 -0.0191 -0.5880 -0.2261 -0.7766 -0.7354 -0.2503 0.6297 -26.245 59.560 81.297 D 57 HIS B 95 HIS~? D 102 ASP B 105 ASP~? D 193 GLY B 46 GLY^? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 1.07 A TRANSFORM -0.7852 -0.1831 0.5916 0.2205 -0.9753 -0.0093 0.5787 0.1232 0.8062 -53.380 59.044 7.980 B 51 ALA B 98 ALA~? B 148 HIS B 99 HIS~? B 163 ASP B 105 ASP~? ULMNm 3 2c7v_c10 PTERIDINE REDUCTASE user 2 3 RMSD = 1.07 A TRANSFORM 0.6452 0.4747 -0.5987 -0.1897 0.8586 0.4763 0.7401 -0.1937 0.6440 21.770 -40.895 4.974 C 14 ARG B 26 ARG.? C 161 ASP B 66 ASP^? C 174 TYR B 48 TYR^? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 1.08 A TRANSFORM 0.1653 -0.9842 -0.0642 0.6960 0.1625 -0.6994 0.6987 0.0709 0.7119 47.794 41.312 -53.977 F 51 ALA B 98 ALA~? F 148 HIS B 99 HIS~? F 163 ASP B 105 ASP~? ULMNm 3 1a0j_c14 TRYPSIN user 3 3 RMSD = 1.08 A TRANSFORM 0.4367 -0.1620 -0.8849 -0.6037 -0.7820 -0.1548 -0.6669 0.6018 -0.4394 76.971 80.690 71.377 C 57 HIS B 95 HIS~? C 102 ASP B 105 ASP~? C 193 GLY B 46 GLY^? ULMNm 3 1rgq_c01 NS4A PEPTIDE user 3 3 RMSD = 1.08 A TRANSFORM 0.2742 -0.9613 0.0279 -0.0566 -0.0451 -0.9974 0.9600 0.2719 -0.0667 20.573 41.023 -31.307 B 60 HIS A 99 HIS~? B 84 ASP A 105 ASP~? B 140 GLY A 46 GLY^? ULMNm 3 1a0j_c15 TRYPSIN user 2 3 RMSD = 1.10 A TRANSFORM -0.2517 -0.7973 -0.5486 -0.4969 0.5929 -0.6337 0.8305 0.1132 -0.5454 27.421 33.293 95.817 D 57 HIS A 99 HIS~? D 102 ASP A 105 ASP~? D 193 GLY A 46 GLY^? ULMNm 3 1a0j_c14 TRYPSIN user 2 3 RMSD = 1.11 A TRANSFORM -0.8563 0.4070 0.3180 0.2585 0.8707 -0.4183 -0.4471 -0.2760 -0.8508 37.326 43.016 99.515 C 57 HIS A 99 HIS~? C 102 ASP A 105 ASP~? C 193 GLY A 46 GLY^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.11 A TRANSFORM 0.1213 -0.6575 0.7437 -0.9666 0.0921 0.2391 -0.2257 -0.7478 -0.6243 7.222 20.019 95.111 A 316 ALA B 16 ALA~? A 317 GLY B 19 GLY~? A 318 ASP B 18 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.11 A TRANSFORM -0.2177 0.6746 0.7053 0.9279 -0.0810 0.3639 0.3026 0.7337 -0.6084 -1.905 12.716 42.714 A 316 ALA A 16 ALA~? A 317 GLY A 19 GLY~? A 318 ASP A 18 ASP~? ULMNm 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 2 3 RMSD = 1.11 A TRANSFORM -0.8091 -0.0523 -0.5853 0.5599 -0.3710 -0.7408 -0.1784 -0.9271 0.3295 39.475 39.544 18.866 A 57 HIS A 99 HIS~? A 102 ASP A 105 ASP~? A 193 GLY A 46 GLY^? ULMNm 3 2c7v_c11 PTERIDINE REDUCTASE user 2 3 RMSD = 1.12 A TRANSFORM -0.9625 -0.2689 0.0355 0.2337 -0.8887 -0.3945 0.1377 -0.3714 0.9182 -20.740 44.461 -14.786 D 14 ARG B 26 ARG.? D 161 ASP B 66 ASP^? D 174 TYR B 48 TYR^? ULMNm 3 1m53_c06 ISOMALTULOSE SYNTHASE user 2 3 RMSD = 1.12 A TRANSFORM -0.3624 0.7646 -0.5330 -0.4658 -0.6439 -0.6070 -0.8073 0.0283 0.5895 24.861 73.436 63.165 A 241 ASP B 5 ASP~? A 279 GLU A 96 GLU~? A 369 ASP B 10 ASP~? ULMNm 3 1a0j_c13 TRYPSIN user 2 3 RMSD = 1.13 A TRANSFORM 0.5447 0.3374 -0.7678 -0.5956 0.8002 -0.0709 0.5904 0.4959 0.6368 52.011 51.768 28.298 B 57 HIS A 99 HIS~? B 102 ASP A 105 ASP~? B 193 GLY A 46 GLY^? ULMNm 3 1a0j_c12 TRYPSIN user 2 3 RMSD = 1.14 A TRANSFORM 0.3458 -0.1283 0.9295 -0.0939 -0.9904 -0.1017 0.9336 -0.0521 -0.3545 0.776 49.253 56.853 A 57 HIS A 99 HIS~? A 102 ASP A 105 ASP~? A 193 GLY A 46 GLY^? ULMNm 3 2c7v_c08 PTERIDINE REDUCTASE user 2 3 RMSD = 1.14 A TRANSFORM 0.9660 0.2523 -0.0554 0.1950 -0.8529 -0.4844 -0.1695 0.4571 -0.8731 6.372 47.321 47.180 A 14 ARG B 26 ARG.? A 161 ASP B 66 ASP^? A 174 TYR B 48 TYR^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.15 A TRANSFORM -0.5085 -0.3446 0.7891 -0.0957 0.9333 0.3460 -0.8557 0.1004 -0.5076 -13.832 -18.686 27.440 141 ASP B 5 ASP~? 166 GLY B 0 GLY.? 169 GLU A 36 GLU^? ULMNm 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 2 3 RMSD = 1.16 A TRANSFORM -0.9693 -0.1029 -0.2234 0.2217 -0.7586 -0.6126 -0.1065 -0.6434 0.7581 14.336 41.476 30.443 B 57 HIS A 99 HIS~? B 102 ASP A 105 ASP~? B 193 GLY A 46 GLY^? ULMNm 3 2c7v_c09 PTERIDINE REDUCTASE user 2 3 RMSD = 1.16 A TRANSFORM -0.6514 -0.4564 0.6060 -0.2421 0.8821 0.4041 -0.7190 0.1166 -0.6851 -38.294 -38.981 35.691 B 14 ARG B 26 ARG.? B 161 ASP B 66 ASP^? B 174 TYR B 48 TYR^? ULMNm 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 2 3 RMSD = 1.19 A TRANSFORM -0.8052 -0.0623 -0.5897 0.5691 -0.3605 -0.7390 -0.1665 -0.9307 0.3258 39.614 39.308 18.831 A 57 HIS A 99 HIS~? A 102 ASP A 105 ASP~? A 193 GLY A 46 GLY^? ULMNm 3 1rgq_c01 NS4A PEPTIDE user 5 3 RMSD = 1.19 A TRANSFORM -0.3738 0.9275 -0.0033 0.0439 0.0141 -0.9989 -0.9265 -0.3735 -0.0460 -16.405 61.479 -0.984 B 60 HIS B 99 HIS~? B 84 ASP B 105 ASP~? B 140 GLY B 46 GLY^? ULMNm 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 7 3 RMSD = 1.19 A TRANSFORM -0.9356 -0.0479 0.3499 -0.3309 -0.2273 -0.9159 0.1234 -0.9727 0.1968 43.156 39.222 40.678 C 49 ASP B 105 ASP~? C 86 HIS B 99 HIS~? C 250 ALA B 98 ALA~? ULMNm 3 4kbp_c02 PURPLE ACID PHOSPHATASE user 1 3 RMSD = 1.20 A TRANSFORM 0.5550 -0.8180 0.1512 0.6307 0.5323 0.5646 -0.5424 -0.2180 0.8114 50.375 11.402 48.525 C 202 HIS A 109 HIS~? C 295 HIS A 99 HIS~? C 296 HIS A 95 HIS~? ULMNm 3 4kbp_c01 PURPLE ACID PHOSPHATASE user 1 3 RMSD = 1.21 A TRANSFORM -0.5579 0.8161 -0.1510 0.7807 0.5778 0.2381 0.2816 0.0149 -0.9594 25.818 16.364 75.349 B 202 HIS A 109 HIS~? B 295 HIS A 99 HIS~? B 296 HIS A 95 HIS~? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 5 3 RMSD = 1.21 A TRANSFORM -0.6454 0.1765 0.7432 -0.7616 -0.2240 -0.6082 0.0591 -0.9585 0.2790 23.017 2.824 -15.462 B 37 ASP B 40 ASP.? B 56 ILE B 69 ILE^? B 82 TYR B 71 TYR^? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 6 3 RMSD = 1.22 A TRANSFORM -0.9405 -0.3049 0.1496 -0.0006 0.4421 0.8970 -0.3397 0.8435 -0.4160 26.003 3.917 69.342 A 241 ASP A 10 ASP~? A 265 GLU A 88 GLU~? A 369 ASP A 5 ASP~? ULMNm 3 2odj_o00 PORIN D user 2 3 RMSD = 1.22 A TRANSFORM -0.8068 -0.5580 0.1942 -0.2261 -0.0120 -0.9740 0.5459 -0.8297 -0.1165 26.298 61.561 63.102 A 156 HIS B 99 HIS~? A 208 ASP B 41 ASP.? A 296 SER B 83 SER~? ULMNm 3 4kbp_c03 PURPLE ACID PHOSPHATASE user 1 3 RMSD = 1.23 A TRANSFORM 0.3187 0.2517 -0.9138 0.7196 0.5632 0.4061 0.6169 -0.7870 -0.0017 77.797 103.614 46.546 D 202 HIS A 109 HIS~? D 295 HIS A 99 HIS~? D 296 HIS A 95 HIS~? ULMNm 3 1sll_c00 SIALIDASE L user 4 3 RMSD = 1.23 A TRANSFORM 0.1866 -0.6366 -0.7483 0.4662 -0.6130 0.6378 -0.8648 -0.4679 0.1825 50.278 2.636 35.615 318 ASP B 40 ASP.? 595 GLU B 36 GLU^? 713 TYR B 71 TYR^? ULMNm 3 4kbp_c00 PURPLE ACID PHOSPHATASE user 1 3 RMSD = 1.24 A TRANSFORM -0.4985 0.0067 0.8669 -0.7177 -0.5642 -0.4083 0.4863 -0.8256 0.2861 51.112 75.385 42.256 A 202 HIS A 109 HIS~? A 295 HIS A 99 HIS~? A 296 HIS A 95 HIS~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 13 3 RMSD = 1.24 A TRANSFORM 0.9104 0.3249 0.2560 -0.0972 -0.4334 0.8959 0.4020 -0.8406 -0.3630 -10.392 3.370 109.279 A 241 ASP B 10 ASP~? A 265 GLU B 88 GLU~? A 369 ASP B 5 ASP~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 4 3 RMSD = 1.24 A TRANSFORM -0.6496 0.1817 0.7383 -0.7564 -0.2534 -0.6031 0.0775 -0.9501 0.3021 20.153 19.885 11.245 A 37 ASP B 40 ASP.? A 56 ILE B 69 ILE^? A 82 TYR B 71 TYR^? ULMNm 3 1t0u_c01 URIDINE PHOSPHORYLASE user 2 3 RMSD = 1.24 A TRANSFORM 0.5706 -0.8107 0.1307 -0.8027 -0.5843 -0.1195 0.1732 -0.0367 -0.9842 -2.635 41.220 -4.781 B 8 HIS B 95 HIS~? B 80 GLU B 96 GLU~? B 223 ARG A 72 ARG~? ULMNm 3 1bfd_c00 BENZOYLFORMATE DECARBOXYLASE user 1 3 RMSD = 1.24 A TRANSFORM 0.6539 -0.5360 -0.5339 0.3527 0.8403 -0.4117 0.6693 0.0809 0.7386 109.236 36.391 120.687 28 GLU B 96 GLU~? 70 HIS B 95 HIS~? 281 HIS A 100 HIS~? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.25 A TRANSFORM -0.5941 0.5921 -0.5445 -0.3601 -0.8010 -0.4782 -0.7192 -0.0880 0.6892 148.773 120.146 114.918 B1198 GLY A 62 GLY.? B1228 SER B 83 SER~? B1549 ASP B 87 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.28 A TRANSFORM 0.3270 0.9291 -0.1730 0.2044 0.1092 0.9728 0.9227 -0.3534 -0.1542 123.804 -34.929 2.659 A 316 ALA B 16 ALA~? A 317 GLY B 19 GLY~? A 318 ASP B 18 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.28 A TRANSFORM -0.2998 -0.9347 -0.1908 -0.3282 -0.0868 0.9406 -0.8958 0.3446 -0.2808 166.791 -2.907 -0.392 A 316 ALA A 16 ALA~? A 317 GLY A 19 GLY~? A 318 ASP A 18 ASP~? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 2 3 RMSD = 1.28 A TRANSFORM 0.4727 -0.1416 0.8698 0.8682 0.2439 -0.4322 -0.1510 0.9594 0.2382 37.535 -37.860 -48.911 B 37 ASP A 40 ASP.? B 56 ILE A 69 ILE^? B 82 TYR A 71 TYR^? ULMNm 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 1.29 A TRANSFORM -0.6744 -0.3978 0.6221 0.1548 0.7475 0.6459 -0.7220 0.5319 -0.4425 27.926 -113.369 -12.021 D 49 ASP B 105 ASP~? D 86 HIS B 95 HIS~? D 250 ALA B 98 ALA~? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.29 A TRANSFORM 0.9932 0.1146 0.0185 0.1160 -0.9741 -0.1942 -0.0042 0.1950 -0.9808 -46.481 17.976 -22.358 H 51 ALA A 98 ALA~? H 148 HIS A 95 HIS~? H 163 ASP A 105 ASP~? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 1 3 RMSD = 1.29 A TRANSFORM -0.7816 0.0235 0.6233 -0.2938 -0.8954 -0.3346 0.5502 -0.4447 0.7067 12.908 28.837 8.568 30 GLY A 46 GLY^? 48 HIS A 95 HIS~? 99 ASP A 105 ASP~? ULMNm 3 1ddj_c15 PLASMINOGEN user 2 3 RMSD = 1.31 A TRANSFORM -0.5992 0.7342 0.3193 -0.2859 0.1762 -0.9419 -0.7478 -0.6557 0.1043 -34.670 66.745 60.397 D 603 HIS A 100 HIS~? D 646 ASP A 66 ASP^? D 739 GLY A 46 GLY^? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 6 3 RMSD = 1.31 A TRANSFORM 0.2140 0.7179 0.6624 -0.7003 -0.3600 0.6164 0.6810 -0.5958 0.4258 -140.380 1.779 42.513 F 49 ASP B 105 ASP~? F 86 HIS B 95 HIS~? F 250 ALA B 98 ALA~? ULMNm 3 1sll_c00 SIALIDASE L user 1 3 RMSD = 1.32 A TRANSFORM -0.0208 0.5967 -0.8022 -0.5992 0.6349 0.4878 0.8004 0.4908 0.3443 6.760 1.165 3.126 318 ASP A 40 ASP.? 595 GLU A 36 GLU^? 713 TYR A 71 TYR^? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 2 3 RMSD = 1.32 A TRANSFORM 0.4783 -0.1455 0.8661 0.8607 0.2735 -0.4294 -0.1744 0.9508 0.2560 34.659 -21.842 -20.845 A 37 ASP A 40 ASP.? A 56 ILE A 69 ILE^? A 82 TYR A 71 TYR^? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 6 3 RMSD = 1.32 A TRANSFORM 0.2923 -0.2389 -0.9260 -0.5693 -0.8215 0.0322 -0.7684 0.5178 -0.3761 10.447 61.314 13.478 E 49 ASP B 105 ASP~? E 86 HIS B 95 HIS~? E 250 ALA B 98 ALA~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.32 A TRANSFORM 0.4924 -0.6946 -0.5244 0.5866 -0.1803 0.7895 -0.6430 -0.6964 0.3187 55.419 -63.144 -37.814 B 250 ALA B 16 ALA~? B 251 GLY B 19 GLY~? B 252 ASP B 18 ASP~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 2 3 RMSD = 1.32 A TRANSFORM 0.5993 -0.6018 -0.5279 0.4440 0.7986 -0.4062 0.6661 0.0091 0.7458 34.230 14.576 63.268 A 241 ASP A 5 ASP~? A 265 GLU A 84 GLU~? A 369 ASP A 10 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.32 A TRANSFORM -0.4220 0.6790 -0.6007 -0.6842 0.1961 0.7024 0.5948 0.7074 0.3819 20.575 -41.640 -72.543 B 250 ALA A 16 ALA~? B 251 GLY A 19 GLY~? B 252 ASP A 18 ASP~? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 6 3 RMSD = 1.33 A TRANSFORM 0.6038 0.7070 0.3682 0.0921 -0.5207 0.8488 0.7918 -0.4785 -0.3795 -0.076 -12.976 78.371 B 325 ASP B 37 ASP.? B 354 GLU B 36 GLU^? B 421 ASP B 40 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.33 A TRANSFORM -0.1325 0.9835 0.1228 -0.2756 0.0824 -0.9577 -0.9521 -0.1608 0.2602 -14.887 34.267 -1.023 141 ASP A 18 ASP~? 166 GLY A 112 GLY.? 169 GLU A 110 GLU~? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 1.34 A TRANSFORM -0.1766 -0.7688 -0.6146 -0.6721 -0.3620 0.6459 -0.7191 0.5272 -0.4528 77.588 -36.088 22.435 A 49 ASP B 105 ASP~? A 86 HIS B 95 HIS~? A 250 ALA B 98 ALA~? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 1.34 A TRANSFORM -0.1766 -0.7688 -0.6146 -0.6721 -0.3620 0.6459 -0.7191 0.5272 -0.4528 77.588 -36.088 22.435 A 49 ASP B 105 ASP~? A 86 HIS B 95 HIS~? A 250 ALA B 98 ALA~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.35 A TRANSFORM -0.2193 0.2450 -0.9444 -0.5901 0.7375 0.3284 0.7770 0.6293 -0.0172 69.027 -45.775 -28.960 A 250 ALA B 16 ALA~? A 251 GLY B 19 GLY~? A 252 ASP B 18 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.35 A TRANSFORM 0.3402 -0.2665 -0.9018 0.5443 -0.7262 0.4200 -0.7668 -0.6337 -0.1020 53.191 -15.500 12.458 A 250 ALA A 16 ALA~? A 251 GLY A 19 GLY~? A 252 ASP A 18 ASP~? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 3 3 RMSD = 1.35 A TRANSFORM -0.5784 -0.7073 -0.4065 -0.4725 0.6966 -0.5398 0.6650 -0.1201 -0.7371 58.654 55.153 95.125 A 325 ASP B 37 ASP.? A 354 GLU B 36 GLU^? A 421 ASP B 40 ASP.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 9 3 RMSD = 1.35 A TRANSFORM -0.5347 0.5926 -0.6024 -0.3829 -0.8054 -0.4524 -0.7533 -0.0113 0.6576 31.536 68.701 60.779 A 241 ASP B 5 ASP~? A 265 GLU B 84 GLU~? A 369 ASP B 10 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 RMSD = 1.35 A TRANSFORM -0.1141 -0.9914 -0.0648 0.5457 -0.0080 -0.8379 0.8302 -0.1310 0.5419 68.235 46.834 -10.483 A 229 ALA B 77 ALA~? A 257 ALA A 14 ALA~? A 328 ASP A 10 ASP~? ULMNm 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 6 3 RMSD = 1.36 A TRANSFORM -0.5558 -0.8305 0.0358 0.3577 -0.2778 -0.8915 0.7504 -0.4827 0.4515 88.813 37.959 7.325 C 49 ASP B 105 ASP~? C 86 HIS B 95 HIS~? C 250 ALA B 98 ALA~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 11 3 RMSD = 1.36 A TRANSFORM 0.3835 0.8277 -0.4097 0.3345 0.2890 0.8970 0.8608 -0.4811 -0.1660 13.864 -10.605 92.036 A 241 ASP B 10 ASP~? A 265 GLU B 38 GLU.? A 369 ASP B 5 ASP~? ULMNm 3 1fr8_c00 BETA 1,4 GALACTOSYLTRANSFERASE user 3 3 RMSD = 1.36 A TRANSFORM 0.8974 -0.4225 0.1268 0.4213 0.9061 0.0376 -0.1308 0.0197 0.9912 6.348 -21.448 -17.752 A 317 GLU B 84 GLU~? A 319 ASP B 87 ASP~? A 359 ARG B 90 ARG~? ULMNm 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.37 A TRANSFORM -0.4578 -0.8034 -0.3808 -0.2494 0.5272 -0.8123 0.8533 -0.2769 -0.4417 14.137 106.053 112.856 D 137 ARG A 90 ARG~? D 141 THR A 92 THR~? D 235 ASP B 37 ASP.? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 6 3 RMSD = 1.37 A TRANSFORM 0.7401 -0.5490 0.3883 -0.6618 -0.6973 0.2754 0.1195 -0.4608 -0.8794 -4.231 14.359 48.488 14 ASP B 105 ASP~? 16 HIS B 109 HIS~? 67 GLY B 19 GLY~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 10 3 RMSD = 1.37 A TRANSFORM 0.4785 -0.3722 -0.7953 0.0433 -0.8946 0.4447 -0.8770 -0.2472 -0.4119 40.388 62.103 57.183 179 ASP B 10 ASP~? 227 GLU B 38 GLU.? 289 ASP B 5 ASP~? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.38 A TRANSFORM 0.9927 0.1124 0.0449 -0.1163 0.9883 0.0986 -0.0333 -0.1031 0.9941 -46.467 -18.037 -39.952 G 51 ALA A 98 ALA~? G 148 HIS A 95 HIS~? G 163 ASP A 105 ASP~? ULMNm 3 1ddj_c15 PLASMINOGEN user 4 3 RMSD = 1.38 A TRANSFORM 0.5852 -0.7016 0.4065 0.4030 -0.1833 -0.8966 0.7036 0.6886 0.1755 -22.612 89.840 13.280 D 603 HIS B 100 HIS~? D 646 ASP B 66 ASP^? D 739 GLY B 46 GLY^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 4 3 RMSD = 1.38 A TRANSFORM -0.5978 -0.6588 -0.4567 -0.7916 0.5750 0.2068 0.1264 0.4851 -0.8653 88.346 -36.035 -10.288 B 37 ASP B 37 ASP.? B 56 ILE A 20 ILE~? B 82 TYR B 3 TYR.? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 4 3 RMSD = 1.38 A TRANSFORM 0.4139 0.4879 0.7685 -0.8785 0.4355 0.1967 -0.2387 -0.7566 0.6088 -4.834 32.261 56.000 A 325 ASP B 37 ASP.? A 354 GLU B 38 GLU.? A 421 ASP B 40 ASP.? ULMNm 3 1fr8_c00 BETA 1,4 GALACTOSYLTRANSFERASE user 2 3 RMSD = 1.39 A TRANSFORM -0.8836 0.4681 0.0140 -0.4681 -0.8837 -0.0009 0.0120 -0.0074 0.9999 5.407 27.286 5.017 A 317 GLU A 84 GLU~? A 319 ASP A 87 ASP~? A 359 ARG A 90 ARG~? ULMNm 3 1ndo_c01 NAPTHALENE 1,2-DIOXYGENASE user 3 3 RMSD = 1.39 A TRANSFORM -0.0696 0.9973 -0.0248 0.0179 -0.0236 -0.9996 -0.9974 -0.0700 -0.0162 -2.826 57.704 33.472 A 104 HIS B 99 HIS~? E 205 ASP B 105 ASP~? E 208 HIS B 95 HIS~? ULMNm 3 1ddj_c12 PLASMINOGEN user 2 3 RMSD = 1.40 A TRANSFORM 0.9636 -0.0590 0.2609 -0.1862 -0.8480 0.4962 0.1920 -0.5268 -0.8281 -8.470 56.559 22.463 A 603 HIS A 100 HIS~? A 646 ASP A 66 ASP^? A 739 GLY A 46 GLY^? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.40 A TRANSFORM -0.1483 0.9888 0.0152 -0.5734 -0.0735 -0.8160 -0.8057 -0.1297 0.5779 22.974 39.903 51.039 A 198 GLY A 62 GLY.? A 228 SER B 83 SER~? A 549 ASP B 87 ASP~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 4 3 RMSD = 1.40 A TRANSFORM -0.4490 -0.8116 -0.3738 -0.4204 -0.1773 0.8899 -0.7885 0.5566 -0.2616 47.031 26.149 78.529 A 241 ASP A 10 ASP~? A 265 GLU A 38 GLU.? A 369 ASP A 5 ASP~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 3 3 RMSD = 1.40 A TRANSFORM -0.6036 -0.6553 -0.4542 -0.7830 0.5945 0.1828 0.1502 0.4660 -0.8720 85.332 -19.150 17.890 A 37 ASP B 37 ASP.? A 56 ILE A 20 ILE~? A 82 TYR B 3 TYR.? ULMNm 3 1ddj_c12 PLASMINOGEN user 4 3 RMSD = 1.40 A TRANSFORM -0.9894 0.0242 0.1435 0.0927 0.8653 0.4927 -0.1122 0.5008 -0.8583 3.595 4.110 22.410 A 603 HIS B 100 HIS~? A 646 ASP B 66 ASP^? A 739 GLY B 46 GLY^? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.41 A TRANSFORM -0.1764 0.9573 0.2292 0.9802 0.1921 -0.0480 -0.0900 0.2162 -0.9722 -35.162 -30.175 46.833 C 51 ALA A 98 ALA~? C 148 HIS A 95 HIS~? C 163 ASP A 105 ASP~? ULMNm 3 1ndo_c02 NAPTHALENE 1,2-DIOXYGENASE user 2 3 RMSD = 1.41 A TRANSFORM -0.5232 0.7779 0.3481 0.8030 0.3132 0.5071 0.2854 0.5448 -0.7885 -9.421 30.006 45.571 C 205 ASP B 105 ASP~? C 208 HIS B 95 HIS~? E 104 HIS B 99 HIS~? ULMNm 3 1ddj_c14 PLASMINOGEN user 2 3 RMSD = 1.41 A TRANSFORM 0.9769 -0.0213 0.2127 -0.1370 -0.8262 0.5464 0.1641 -0.5629 -0.8100 -10.258 53.022 86.047 C 603 HIS A 100 HIS~? C 646 ASP A 66 ASP^? C 739 GLY A 46 GLY^? ULMNm 3 1ddj_c14 PLASMINOGEN user 4 3 RMSD = 1.42 A TRANSFORM -0.9954 -0.0150 0.0951 0.0387 0.8425 0.5372 -0.0882 0.5384 -0.8381 4.840 1.433 83.402 C 603 HIS B 100 HIS~? C 646 ASP B 66 ASP^? C 739 GLY B 46 GLY^? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.42 A TRANSFORM 0.4037 -0.4398 0.8023 -0.9138 -0.1510 0.3770 -0.0446 -0.8853 -0.4628 -1.781 72.960 65.892 179 ASP A 5 ASP~? 227 GLU A 38 GLU.? 289 ASP A 10 ASP~? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.42 A TRANSFORM 0.1436 -0.9658 -0.2157 0.9874 0.1545 -0.0345 0.0667 -0.2081 0.9758 2.696 -30.473 29.931 D 51 ALA A 98 ALA~? D 148 HIS A 95 HIS~? D 163 ASP A 105 ASP~? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 RMSD = 1.42 A TRANSFORM -0.4336 -0.8415 0.3225 0.8943 -0.3579 0.2684 -0.1104 0.4048 0.9077 -14.744 19.169 -6.048 B 51 ALA B 98 ALA~? B 148 HIS B 95 HIS~? B 163 ASP B 105 ASP~? ULMNm 3 1ddj_c13 PLASMINOGEN user 3 3 RMSD = 1.43 A TRANSFORM 0.3579 0.7975 -0.4856 0.9298 -0.3522 0.1068 -0.0858 -0.4897 -0.8676 -40.293 46.967 38.294 B 603 HIS B 99 HIS~? B 646 ASP B 104 ASP~? B 739 GLY B 112 GLY.? ULMNm 3 1ds2_c02 PROTEINASE B (SGPB user 1 3 RMSD = 1.43 A TRANSFORM -0.6228 -0.2029 0.7556 0.1874 -0.9764 -0.1077 0.7596 0.0745 0.6461 2.838 33.604 5.457 E 57 HIS A 95 HIS~? E 102 ASP A 105 ASP~? E 193 GLY A 46 GLY^? ULMNm 3 1ddj_c14 PLASMINOGEN user 3 3 RMSD = 1.43 A TRANSFORM -0.5668 0.1900 0.8017 -0.7179 -0.5914 -0.3674 0.4043 -0.7837 0.4715 -28.381 100.704 71.237 C 603 HIS B 99 HIS~? C 646 ASP B 104 ASP~? C 739 GLY B 112 GLY.? ULMNm 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 5 3 RMSD = 1.43 A TRANSFORM -0.3034 0.2275 0.9253 -0.5901 -0.8073 0.0050 0.7482 -0.5445 0.3792 -71.802 28.741 48.307 B 49 ASP B 105 ASP~? B 86 HIS B 95 HIS~? B 250 ALA B 98 ALA~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 3 3 RMSD = 1.43 A TRANSFORM 0.8381 -0.4104 -0.3594 0.1789 0.8291 -0.5297 0.5154 0.3797 0.7683 23.229 18.394 52.676 A 241 ASP A 5 ASP~? A 265 GLU A 88 GLU~? A 369 ASP A 10 ASP~? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 RMSD = 1.43 A TRANSFORM -0.0041 -0.9663 0.2573 -0.9919 0.0366 0.1216 -0.1270 -0.2547 -0.9587 -0.038 -24.289 78.345 C 51 ALA B 98 ALA~? C 148 HIS B 95 HIS~? C 163 ASP B 105 ASP~? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 2 3 RMSD = 1.43 A TRANSFORM -0.1889 -0.3054 -0.9333 0.3953 -0.8937 0.2124 -0.8989 -0.3288 0.2896 84.328 100.881 34.838 229 ASP B 40 ASP.? 257 GLU B 38 GLU.? 328 ASP B 37 ASP.? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.43 A TRANSFORM 0.2553 0.9406 0.2237 -0.8948 0.1422 0.4232 0.3663 -0.3082 0.8780 -47.432 18.379 28.228 B 51 ALA A 98 ALA~? B 148 HIS A 95 HIS~? B 163 ASP A 105 ASP~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 3 3 RMSD = 1.44 A TRANSFORM -0.5695 -0.7818 -0.2537 -0.6154 0.6102 -0.4990 0.5449 -0.1281 -0.8286 35.010 27.027 36.397 A 14 GLU B 96 GLU~? A 61 GLU B 88 GLU~? A 162 HIS B 95 HIS~? ULMNm 3 1ddj_c12 PLASMINOGEN user 3 3 RMSD = 1.44 A TRANSFORM -0.6184 0.1703 0.7672 -0.6646 -0.6343 -0.3949 0.4194 -0.7541 0.5054 -23.353 104.562 5.245 A 603 HIS B 99 HIS~? A 646 ASP B 104 ASP~? A 739 GLY B 112 GLY.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 5 3 RMSD = 1.44 A TRANSFORM -0.9793 0.0458 0.1972 0.2024 0.2336 0.9510 -0.0025 0.9713 -0.2380 14.814 7.697 59.093 A 241 ASP A 10 ASP~? A 265 GLU A 84 GLU~? A 369 ASP A 5 ASP~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 4 3 RMSD = 1.45 A TRANSFORM -0.3768 0.3640 -0.8518 0.0224 0.9228 0.3845 0.9260 0.1258 -0.3559 12.715 32.465 25.066 179 ASP A 10 ASP~? 227 GLU A 38 GLU.? 289 ASP A 5 ASP~? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 RMSD = 1.45 A TRANSFORM -0.9729 0.1284 0.1921 0.0822 0.9693 -0.2315 -0.2160 -0.2095 -0.9537 -46.206 -18.551 7.962 H 51 ALA B 98 ALA~? H 148 HIS B 95 HIS~? H 163 ASP B 105 ASP~? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 1.45 A TRANSFORM 0.5163 -0.1597 0.8414 0.7735 0.5087 -0.3781 -0.3676 0.8460 0.3862 -10.579 55.955 53.434 C 603 HIS A 99 HIS~? C 646 ASP A 104 ASP~? C 739 GLY A 112 GLY.? ULMNm 3 1ndo_c00 NAPTHALENE 1,2-DIOXYGENASE user 2 3 RMSD = 1.45 A TRANSFORM -0.6014 0.7492 -0.2775 -0.7435 -0.3976 0.5378 0.2926 0.5297 0.7961 1.940 28.883 16.878 A 205 ASP B 105 ASP~? A 208 HIS B 95 HIS~? C 104 HIS B 99 HIS~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 10 3 RMSD = 1.45 A TRANSFORM -0.7960 0.3895 -0.4633 -0.0975 -0.8379 -0.5370 -0.5974 -0.3823 0.7049 30.491 70.949 62.993 A 241 ASP B 5 ASP~? A 265 GLU B 88 GLU~? A 369 ASP B 10 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.46 A TRANSFORM 0.9312 -0.3609 -0.0510 -0.3417 -0.8158 -0.4665 0.1268 0.4519 -0.8830 -3.304 39.246 20.959 141 ASP A 66 ASP^? 166 GLY A 19 GLY~? 169 GLU B 38 GLU.? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.46 A TRANSFORM -0.3924 -0.8098 -0.4363 -0.9061 0.4218 0.0321 0.1581 0.4079 -0.8993 -10.897 47.720 -3.784 B 603 HIS A 99 HIS~? B 646 ASP A 104 ASP~? B 739 GLY A 112 GLY.? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.46 A TRANSFORM 0.5705 -0.1466 0.8081 0.7249 0.5525 -0.4115 -0.3862 0.8205 0.4215 -7.949 58.104 -10.281 A 603 HIS A 99 HIS~? A 646 ASP A 104 ASP~? A 739 GLY A 112 GLY.? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.47 A TRANSFORM -0.9165 0.1756 0.3594 -0.3044 -0.8890 -0.3421 0.2594 -0.4229 0.8682 5.704 32.445 -38.064 F 51 ALA A 98 ALA~? F 148 HIS A 95 HIS~? F 163 ASP A 105 ASP~? ULMNm 3 1a0j_c15 TRYPSIN user 1 3 RMSD = 1.47 A TRANSFORM 0.1957 -0.9381 0.2857 0.8704 0.0320 -0.4914 0.4518 0.3448 0.8228 6.586 16.805 72.848 D 57 HIS A 95 HIS~? D 102 ASP A 105 ASP~? D 193 GLY A 46 GLY^? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 RMSD = 1.47 A TRANSFORM 0.4501 0.8405 -0.3017 0.8913 -0.4020 0.2097 0.0550 -0.3633 -0.9301 -18.670 23.173 81.655 A 51 ALA B 98 ALA~? A 148 HIS B 95 HIS~? A 163 ASP B 105 ASP~? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.47 A TRANSFORM -0.2694 -0.9416 -0.2021 -0.9159 0.1857 0.3558 -0.2974 0.2810 -0.9124 14.616 19.522 48.079 A 51 ALA A 98 ALA~? A 148 HIS A 95 HIS~? A 163 ASP A 105 ASP~? ULMNm 3 1a0j_c14 TRYPSIN user 1 3 RMSD = 1.48 A TRANSFORM -0.0175 -0.0136 -0.9998 0.7088 0.7051 -0.0220 0.7052 -0.7090 -0.0027 54.720 30.761 71.343 C 57 HIS A 95 HIS~? C 102 ASP A 105 ASP~? C 193 GLY A 46 GLY^? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 12 3 RMSD = 1.48 A TRANSFORM 0.9480 -0.0356 0.3163 -0.3157 -0.2306 0.9204 0.0402 -0.9724 -0.2299 -7.831 1.046 107.954 A 241 ASP B 10 ASP~? A 265 GLU B 84 GLU~? A 369 ASP B 5 ASP~? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.48 A TRANSFORM -0.9203 0.1410 0.3650 0.2746 0.8973 0.3457 -0.2788 0.4184 -0.8644 5.971 -32.662 -23.968 E 51 ALA A 98 ALA~? E 148 HIS A 95 HIS~? E 163 ASP A 105 ASP~? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 RMSD = 1.48 A TRANSFORM -0.9655 0.1405 0.2193 -0.1125 -0.9844 0.1354 0.2349 0.1061 0.9662 -47.332 21.373 -66.395 G 51 ALA B 98 ALA~? G 148 HIS B 95 HIS~? G 163 ASP B 105 ASP~? ULMNm 3 1ddj_c13 PLASMINOGEN user 4 3 RMSD = 1.48 A TRANSFORM 0.4754 -0.8408 0.2591 0.4234 -0.0394 -0.9051 0.7712 0.5400 0.3373 -9.004 88.291 -53.277 B 603 HIS B 100 HIS~? B 646 ASP B 66 ASP^? B 739 GLY B 46 GLY^? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 1 3 RMSD = 1.48 A TRANSFORM -0.0821 0.4632 0.8825 -0.9561 -0.2865 0.0614 0.2812 -0.8387 0.4664 10.338 44.168 6.247 199 ASP B 5 ASP~? 242 GLU A 88 GLU~? 329 ASP B 10 ASP~? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 RMSD = 1.48 A TRANSFORM 0.9105 -0.3589 0.2054 -0.4135 -0.7946 0.4447 0.0036 -0.4898 -0.8718 7.984 -4.615 14.148 E 51 ALA B 98 ALA~? E 148 HIS B 95 HIS~? E 163 ASP B 105 ASP~? ULMNm 3 2odj_o00 PORIN D user 1 3 RMSD = 1.49 A TRANSFORM 0.7840 0.5330 0.3181 0.3657 0.0173 -0.9306 -0.5015 0.8459 -0.1814 -8.308 32.927 31.882 A 156 HIS A 99 HIS~? A 208 ASP A 41 ASP.? A 296 SER A 83 SER~? ULMNm 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 3 3 RMSD = 1.49 A TRANSFORM -0.1380 -0.4415 0.8866 0.6960 -0.6801 -0.2303 0.7046 0.5853 0.4011 -4.713 5.639 -14.911 A 105 ALA A 98 ALA~? A 244 ASP A 105 ASP~? A 271 HIS A 99 HIS~? ULMNm 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.49 A TRANSFORM 0.6355 0.5906 0.4973 0.1488 -0.7257 0.6717 0.7576 -0.3529 -0.5491 17.259 -67.415 -6.279 D 49 ASP A 105 ASP~? D 86 HIS A 95 HIS~? D 250 ALA A 98 ALA~? ULMNm 3 1a0j_c13 TRYPSIN user 1 3 RMSD = 1.49 A TRANSFORM 0.7764 0.3124 0.5474 0.4556 0.3219 -0.8300 -0.4355 0.8937 0.1076 23.961 56.093 48.960 B 57 HIS A 95 HIS~? B 102 ASP A 105 ASP~? B 193 GLY A 46 GLY^? ULMNm 3 1al6_c00 CITRATE SYNTHASE user 3 3 RMSD = 1.49 A TRANSFORM -0.0666 0.9964 0.0533 -0.9535 -0.0793 0.2907 0.2939 -0.0315 0.9553 -29.678 -10.243 -39.051 274 HIS B 95 HIS~? 320 HIS B 109 HIS~? 375 ASP B 104 ASP~? ULMNm 3 1uk7_c00 3.07.01.0009 user 4 3 RMSD = 1.50 A TRANSFORM -0.1794 0.9814 -0.0684 -0.6813 -0.1741 -0.7110 -0.7097 -0.0809 0.6999 9.400 69.990 -14.195 A 103 ALA A 98 ALA~? A 224 ASP A 105 ASP~? A 252 HIS A 99 HIS~? ULMNm 3 1ddj_c13 PLASMINOGEN user 2 3 RMSD = 1.50 A TRANSFORM -0.4675 0.8649 0.1829 -0.3114 0.0325 -0.9497 -0.8273 -0.5009 0.2541 -32.717 71.841 -7.849 B 603 HIS A 100 HIS~? B 646 ASP A 66 ASP^? B 739 GLY A 46 GLY^?