*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1qrz_c15 PLASMINOGEN user 1 3 RMSD = 1.09 A TRANSFORM 0.3276 -0.2313 0.9161 -0.2712 -0.9518 -0.1433 -0.9050 0.2015 0.3746 -43.797 30.870 44.204 D 603 HIS A 45 HIS.? D 646 ASP A 38 ASP~? D 741 SER A 17 SER~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.10 A TRANSFORM -0.8386 0.1626 -0.5199 -0.1221 -0.9862 -0.1115 0.5308 0.0301 -0.8469 61.380 57.681 -15.111 A 67 ASP B 11 ASP~? A 68 ALA B 10 ALA~? A 72 LEU B 13 LEU~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 8 3 RMSD = 1.11 A TRANSFORM 0.6393 0.7084 0.2992 0.7473 -0.4807 -0.4588 0.1812 -0.5169 0.8367 -10.526 21.318 80.520 A 194 SER B 18 SER~? A 292 ASP B 64 ASP~? A 322 HIS D 74 HIS~? ULMNm 3 1cns_c01 CHITINASE user 6 3 RMSD = 1.12 A TRANSFORM -0.4407 0.6303 -0.6391 0.4510 0.7711 0.4495 -0.7761 0.0901 0.6241 -16.112 -52.999 78.052 B 67 GLU B 85 GLU~? B 89 GLU B 22 GLU~? B 120 SER B 18 SER~? ULMNm 3 2odj_o00 PORIN D user 1 3 RMSD = 1.12 A TRANSFORM -0.6956 -0.2781 -0.6625 0.2740 -0.9550 0.1132 0.6642 0.1028 -0.7405 25.510 55.562 16.228 A 156 HIS A 45 HIS.? A 208 ASP A 11 ASP~? A 296 SER B 55 SER~? ULMNm 3 1qrz_c12 PLASMINOGEN user 1 3 RMSD = 1.13 A TRANSFORM 0.9559 -0.2844 -0.0728 0.2893 0.9548 0.0687 -0.0500 0.0868 -0.9950 -14.754 -37.130 29.686 A 603 HIS A 45 HIS.? A 646 ASP A 38 ASP~? A 741 SER A 17 SER~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 7 3 RMSD = 1.13 A TRANSFORM 0.9092 -0.1196 0.3987 -0.1886 0.7355 0.6507 0.3711 0.6668 -0.6462 39.504 11.677 -29.545 A 67 ASP D 11 ASP~? A 68 ALA D 10 ALA~? A 72 LEU D 13 LEU~? ULMNm 3 1cns_c01 CHITINASE user 9 3 RMSD = 1.14 A TRANSFORM -0.1929 -0.9715 0.1379 0.8325 -0.0877 0.5470 0.5193 -0.2204 -0.8257 40.282 -33.000 39.778 B 67 GLU C 85 GLU~? B 89 GLU C 22 GLU~? B 120 SER C 18 SER~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 5 3 RMSD = 1.18 A TRANSFORM -0.2282 -0.8223 -0.5213 -0.6605 0.5242 -0.5376 -0.7153 -0.2217 0.6627 80.400 16.546 41.410 A 67 ASP C 11 ASP~? A 68 ALA C 10 ALA~? A 72 LEU C 13 LEU~? ULMNm 3 1qrz_c13 PLASMINOGEN user 1 3 RMSD = 1.19 A TRANSFORM 0.9685 -0.2425 -0.0571 0.2477 0.9617 0.1175 -0.0264 0.1280 -0.9914 -44.061 -37.095 -10.399 B 603 HIS A 45 HIS.? B 646 ASP A 38 ASP~? B 741 SER A 17 SER~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 4 3 RMSD = 1.19 A TRANSFORM 0.7645 0.1740 0.6206 -0.3853 -0.6485 0.6565 -0.5167 0.7411 0.4288 15.220 64.458 28.590 A 194 SER A 84 SER~? A 292 ASP B 63 ASP~? A 322 HIS A 74 HIS~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.20 A TRANSFORM 0.0361 0.2147 -0.9760 0.9958 0.0750 0.0533 -0.0847 0.9738 0.2111 38.395 6.734 -37.581 A 229 ALA A 35 ALA~? A 257 ALA A 36 ALA~? A 328 ASP A 68 ASP.? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 22 3 RMSD = 1.21 A TRANSFORM 0.0436 0.9422 -0.3322 0.9043 -0.1785 -0.3877 0.4246 0.2835 0.8599 -27.972 25.420 113.481 B 109 ASP D 68 ASP.? B 182 GLU D 67 GLU.? B 286 ASN D 32 ASN~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 9 3 RMSD = 1.22 A TRANSFORM 0.4062 0.4869 0.7733 0.9120 -0.1641 -0.3758 0.0561 -0.8579 0.5107 20.643 2.580 92.778 A 194 SER B 18 SER~? A 292 ASP B 68 ASP.? A 322 HIS D 74 HIS~? ULMNm 3 1qrz_c14 PLASMINOGEN user 1 3 RMSD = 1.22 A TRANSFORM 0.3431 -0.1644 0.9248 -0.2514 -0.9647 -0.0782 -0.9050 0.2056 0.3724 7.507 31.037 5.834 C 603 HIS A 45 HIS.? C 646 ASP A 38 ASP~? C 741 SER A 17 SER~? ULMNm 3 1qrz_c12 PLASMINOGEN user 2 3 RMSD = 1.22 A TRANSFORM -0.3144 0.6830 0.6593 0.5896 -0.4038 0.6995 -0.7440 -0.6086 0.2757 -5.795 9.107 83.281 A 603 HIS D 45 HIS.? A 646 ASP D 38 ASP~? A 741 SER D 17 SER~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 6 3 RMSD = 1.23 A TRANSFORM 0.7112 -0.4191 0.5645 -0.3902 0.4325 0.8128 0.5848 0.7983 -0.1441 48.048 82.368 -38.044 B 194 SER B 18 SER~? B 292 ASP B 64 ASP~? B 322 HIS D 74 HIS~? ULMNm 3 2odj_o00 PORIN D user 3 3 RMSD = 1.23 A TRANSFORM 0.6126 0.4284 0.6643 0.7262 -0.6368 -0.2590 -0.3121 -0.6410 0.7012 -14.529 29.359 81.859 A 156 HIS B 45 HIS.? A 208 ASP B 11 ASP~? A 296 SER A 55 SER~? ULMNm 3 1qrz_c15 PLASMINOGEN user 2 3 RMSD = 1.23 A TRANSFORM 0.5698 0.8157 -0.1001 -0.6496 0.3724 -0.6628 0.5033 -0.4427 -0.7421 -94.731 -11.080 17.078 D 603 HIS D 45 HIS.? D 646 ASP D 38 ASP~? D 741 SER D 17 SER~? ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 3 3 RMSD = 1.23 A TRANSFORM -0.4132 -0.1780 0.8931 -0.8461 -0.2877 -0.4488 -0.3368 0.9410 0.0318 5.034 84.054 26.987 A 53 SER C 8 SER~? A 54 PRO C 9 PRO~? A 96 ASP C 11 ASP~? ULMNm 3 1qrz_c14 PLASMINOGEN user 2 3 RMSD = 1.26 A TRANSFORM 0.6123 0.7887 -0.0556 -0.6085 0.4252 -0.6700 0.5048 -0.4441 -0.7403 -40.417 -14.313 -21.106 C 603 HIS D 45 HIS.? C 646 ASP D 38 ASP~? C 741 SER D 17 SER~? ULMNm 3 2odj_o00 PORIN D user 6 3 RMSD = 1.26 A TRANSFORM -0.7264 -0.4972 -0.4745 -0.4200 0.8676 -0.2661 -0.5440 -0.0060 0.8391 36.269 7.617 68.810 A 156 HIS D 45 HIS.? A 208 ASP D 11 ASP~? A 296 SER C 55 SER~? ULMNm 3 1cns_c01 CHITINASE user 3 3 RMSD = 1.27 A TRANSFORM -0.3193 0.5711 0.7562 -0.8744 0.1301 -0.4674 0.3653 0.8105 -0.4579 -0.758 -8.602 13.835 B 67 GLU A 85 GLU~? B 89 GLU A 22 GLU~? B 120 SER A 18 SER~? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 4 3 RMSD = 1.28 A TRANSFORM 0.1363 -0.9421 0.3063 -0.5011 0.2011 0.8417 0.8546 0.2682 0.4447 64.037 48.365 77.073 A 109 ASP A 63 ASP~? A 182 GLU B 50 GLU~? A 286 ASN B 91 ASN.? ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 1 3 RMSD = 1.28 A TRANSFORM -0.5540 -0.5461 0.6283 0.6731 0.1503 0.7241 0.4899 -0.8241 -0.2843 17.826 44.266 62.071 A 53 SER A 8 SER~? A 54 PRO A 9 PRO~? A 96 ASP A 11 ASP~? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 19 3 RMSD = 1.29 A TRANSFORM 0.7390 0.3935 -0.5468 -0.4992 0.8649 -0.0522 -0.4523 -0.3115 -0.8357 -33.038 36.652 130.595 A 109 ASP D 68 ASP.? A 182 GLU D 67 GLU.? A 286 ASN D 32 ASN~? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 7 3 RMSD = 1.29 A TRANSFORM 0.3774 -0.7011 0.6050 -0.3998 0.4660 0.7893 0.8353 0.5398 0.1044 27.774 48.971 87.288 B 109 ASP A 68 ASP.? B 182 GLU A 67 GLU.? B 286 ASN A 32 ASN~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 75 3 RMSD = 1.30 A TRANSFORM -0.6407 -0.6462 0.4146 0.0764 0.4837 0.8719 0.7640 -0.5903 0.2605 97.967 25.733 -6.976 A 229 ALA D 35 ALA~? A 257 ALA D 36 ALA~? A 328 ASP D 68 ASP.? ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 1.30 A TRANSFORM -0.4065 -0.2703 0.8727 -0.2704 0.9480 0.1677 0.8727 0.1678 0.4585 57.079 5.051 59.586 C 107 ASP B 26 ASP.? C 246 ASP D 11 ASP~? C 275 HIS B 74 HIS~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 38 3 RMSD = 1.30 A TRANSFORM 0.2688 -0.1532 -0.9510 -0.7059 -0.7031 -0.0863 0.6554 -0.6944 0.2971 19.833 69.848 36.199 A 229 ALA B 40 ALA~? A 257 ALA B 36 ALA~? A 328 ASP B 64 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 50 3 RMSD = 1.31 A TRANSFORM 0.8342 0.3816 -0.3981 -0.5105 0.2615 -0.8191 0.2085 -0.8866 -0.4130 18.556 28.427 9.513 A 229 ALA C 35 ALA~? A 257 ALA C 36 ALA~? A 328 ASP C 68 ASP.? ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 2 3 RMSD = 1.31 A TRANSFORM 0.7008 0.3466 -0.6236 -0.3646 -0.5773 -0.7306 0.6132 -0.7393 0.2782 -57.701 77.150 60.937 A 53 SER B 8 SER~? A 54 PRO B 9 PRO~? A 96 ASP B 11 ASP~? ULMNm 3 1js4_c01 ENDO-EXOCELLULASE E4 user 3 3 RMSD = 1.31 A TRANSFORM -0.7612 0.6485 -0.0041 -0.3002 -0.3580 -0.8842 0.5749 0.6718 -0.4671 97.595 61.733 -25.899 B 55 ASP B 63 ASP~? B 58 ASP B 64 ASP~? B 424 GLU A 50 GLU~? ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 4 3 RMSD = 1.31 A TRANSFORM 0.2325 0.3556 -0.9053 0.6479 0.6376 0.4168 -0.7254 0.6834 0.0821 -49.969 25.924 45.061 A 53 SER D 8 SER~? A 54 PRO D 9 PRO~? A 96 ASP D 11 ASP~? ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 3 3 RMSD = 1.31 A TRANSFORM 0.5609 0.3349 -0.7571 0.6625 -0.7299 0.1680 0.4964 0.5958 0.6313 -6.344 37.577 56.590 C 107 ASP C 26 ASP.? C 246 ASP A 11 ASP~? C 275 HIS C 74 HIS~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 88 3 RMSD = 1.31 A TRANSFORM 0.5394 0.7349 -0.4109 0.2097 0.3554 0.9109 -0.8155 0.5775 -0.0376 -10.401 24.735 25.451 A 229 ALA D 40 ALA~? A 257 ALA D 36 ALA~? A 328 ASP D 64 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 63 3 RMSD = 1.32 A TRANSFORM -0.8631 -0.1934 0.4665 -0.4876 0.0786 -0.8695 -0.1315 0.9780 0.1621 65.579 30.396 -2.176 A 229 ALA C 40 ALA~? A 257 ALA C 36 ALA~? A 328 ASP C 64 ASP~? ULMNm 3 1ddj_c15 PLASMINOGEN user 3 3 RMSD = 1.32 A TRANSFORM 0.2790 -0.9360 0.2147 -0.9016 -0.1783 0.3941 0.3306 0.3035 0.8936 2.045 92.320 37.262 D 603 HIS D 74 HIS~? D 646 ASP D 26 ASP.? D 739 GLY D 81 GLY~? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 5 3 RMSD = 1.32 A TRANSFORM -0.3651 -0.4022 0.8396 0.3807 -0.8875 -0.2596 -0.8496 -0.2249 -0.4772 40.591 98.653 162.177 B 109 ASP A 63 ASP~? B 182 GLU B 50 GLU~? B 286 ASN B 91 ASN.? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 9 3 RMSD = 1.33 A TRANSFORM -0.9567 -0.2759 0.0924 -0.1338 0.1352 -0.9817 -0.2584 0.9516 0.1663 62.550 12.038 67.417 A 109 ASP B 38 ASP~? A 182 GLU B 21 GLU~? A 286 ASN B 42 ASN~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 13 3 RMSD = 1.33 A TRANSFORM 0.0398 -0.4515 0.8914 0.9467 0.3024 0.1109 0.3197 -0.8395 -0.4395 56.738 -2.244 40.764 A 229 ALA A 40 ALA~? A 257 ALA A 36 ALA~? A 328 ASP A 64 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.33 A TRANSFORM 0.1455 0.7877 0.5987 0.9568 -0.2661 0.1175 -0.2518 -0.5557 0.7923 27.569 10.149 41.887 A 67 ASP A 11 ASP~? A 68 ALA A 10 ALA~? A 72 LEU A 13 LEU~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 3 3 RMSD = 1.33 A TRANSFORM -0.3593 0.3531 0.8638 0.3627 0.9057 -0.2194 0.8598 -0.2345 0.4535 34.585 32.436 12.253 B 194 SER A 84 SER~? B 292 ASP B 63 ASP~? B 322 HIS A 74 HIS~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 8 3 RMSD = 1.33 A TRANSFORM -0.5917 0.3282 -0.7363 -0.7868 -0.4342 0.4387 0.1757 -0.8389 -0.5151 24.064 116.160 37.793 B 194 SER B 84 SER~? B 292 ASP A 63 ASP~? B 322 HIS B 74 HIS~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 10 3 RMSD = 1.34 A TRANSFORM -0.2680 -0.7772 -0.5694 0.4244 0.4353 -0.7940 -0.8649 0.4544 -0.2131 59.764 -10.470 41.797 A 194 SER B 84 SER~? A 292 ASP A 63 ASP~? A 322 HIS B 74 HIS~? ULMNm 3 1ddj_c15 PLASMINOGEN user 2 3 RMSD = 1.35 A TRANSFORM 0.7094 -0.6119 -0.3498 0.5017 0.7870 -0.3591 -0.4950 -0.0792 -0.8653 -25.687 16.981 49.565 D 603 HIS C 74 HIS~? D 646 ASP C 26 ASP.? D 739 GLY C 81 GLY~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 18 3 RMSD = 1.35 A TRANSFORM -0.6991 -0.6292 0.3398 0.6289 -0.3147 0.7110 0.3404 -0.7107 -0.6157 81.348 32.406 28.539 A 229 ALA A 56 ALA~? A 257 ALA A 58 ALA~? A 328 ASP A 63 ASP~? ULMNm 3 1ddj_c12 PLASMINOGEN user 4 3 RMSD = 1.35 A TRANSFORM 0.1128 0.4019 -0.9087 0.6506 0.6613 0.3732 -0.7510 0.6334 0.1869 -26.727 12.097 8.272 A 603 HIS D 74 HIS~? A 646 ASP D 26 ASP.? A 739 GLY D 81 GLY~? ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 4 3 RMSD = 1.35 A TRANSFORM -0.6431 -0.4587 0.6133 0.2865 -0.8867 -0.3628 -0.7102 0.0576 -0.7016 67.131 46.574 84.217 C 107 ASP D 26 ASP.? C 246 ASP B 11 ASP~? C 275 HIS D 74 HIS~? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 6 3 RMSD = 1.35 A TRANSFORM -0.1414 -0.0590 0.9882 0.5282 -0.8488 0.0249 -0.8373 -0.5254 -0.1512 19.937 68.481 154.010 A 109 ASP A 68 ASP.? A 182 GLU A 67 GLU.? A 286 ASN A 32 ASN~? ULMNm 3 1js4_c01 ENDO-EXOCELLULASE E4 user 1 3 RMSD = 1.35 A TRANSFORM -0.3629 0.9236 0.1234 0.6770 0.1704 0.7160 -0.6403 -0.3434 0.6871 80.549 38.635 49.740 B 55 ASP A 63 ASP~? B 58 ASP A 64 ASP~? B 424 GLU B 50 GLU~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 18 3 RMSD = 1.36 A TRANSFORM -0.3746 -0.4913 -0.7863 -0.2055 0.8710 -0.4463 -0.9041 0.0056 0.4272 41.533 -0.807 84.853 A 194 SER D 18 SER~? A 292 ASP D 64 ASP~? A 322 HIS B 74 HIS~? ULMNm 3 1myr_c00 MYROSINASE user 3 3 RMSD = 1.36 A TRANSFORM 0.2746 0.3271 -0.9042 -0.0440 -0.9351 -0.3517 0.9605 -0.1364 0.2424 21.996 128.671 21.926 187 GLN C 49 GLN.? 328 ASN C 46 ASN.? 409 GLU C 48 GLU.? ULMNm 3 1ddj_c12 PLASMINOGEN user 3 3 RMSD = 1.36 A TRANSFORM -0.3267 -0.0366 0.9444 -0.9043 -0.2785 -0.3236 -0.2749 0.9597 -0.0579 20.265 73.209 -17.289 A 603 HIS C 74 HIS~? A 646 ASP C 26 ASP.? A 739 GLY C 81 GLY~? ULMNm 3 1js4_c00 ENDO-EXOCELLULASE E4 user 3 3 RMSD = 1.38 A TRANSFORM -0.1279 -0.6530 -0.7465 0.4331 -0.7139 0.5502 0.8922 0.2529 -0.3741 70.852 81.588 -11.227 A 55 ASP B 63 ASP~? A 58 ASP B 64 ASP~? A 424 GLU A 50 GLU~? ULMNm 3 1ddj_c13 PLASMINOGEN user 4 3 RMSD = 1.38 A TRANSFORM 0.1141 -0.9903 0.0794 -0.8817 -0.0641 0.4675 0.4578 0.1233 0.8804 10.092 91.445 -25.088 B 603 HIS D 74 HIS~? B 646 ASP D 26 ASP.? B 739 GLY D 81 GLY~? ULMNm 3 1ddj_c12 PLASMINOGEN user 2 3 RMSD = 1.38 A TRANSFORM 0.7640 0.2796 -0.5815 -0.4215 -0.4661 -0.7778 0.4885 -0.8394 0.2382 -34.446 61.410 27.454 A 603 HIS B 74 HIS~? A 646 ASP B 26 ASP.? A 739 GLY B 81 GLY~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 43 3 RMSD = 1.38 A TRANSFORM 0.8339 0.3737 -0.4061 -0.0907 -0.6331 -0.7687 0.5443 -0.6779 0.4941 1.531 43.649 35.463 A 229 ALA B 56 ALA~? A 257 ALA B 58 ALA~? A 328 ASP B 63 ASP~? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 5 3 RMSD = 1.38 A TRANSFORM -0.6570 -0.6850 -0.3147 0.5480 -0.7207 0.4246 0.5176 -0.1065 -0.8489 14.487 73.072 -10.624 A1132 ASP B 38 ASP~? A1134 ALA B 36 ALA~? A1137 ASN B 39 ASN~? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 18 3 RMSD = 1.38 A TRANSFORM -0.8154 0.3453 0.4646 -0.2076 -0.9237 0.3221 -0.5404 -0.1662 -0.8249 22.983 86.243 131.745 B 109 ASP C 68 ASP.? B 182 GLU C 67 GLU.? B 286 ASN C 32 ASN~? ULMNm 3 1ddj_c13 PLASMINOGEN user 3 3 RMSD = 1.39 A TRANSFORM 0.8390 -0.5002 -0.2141 0.3843 0.8234 -0.4175 -0.3851 -0.2680 -0.8831 -27.213 20.493 -12.073 B 603 HIS C 74 HIS~? B 646 ASP C 26 ASP.? B 739 GLY C 81 GLY~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.39 A TRANSFORM -0.5888 0.2381 0.7724 0.0076 0.9572 -0.2893 0.8082 0.1645 0.5654 91.987 84.671 129.952 B 141 GLY A 81 GLY~? B 144 GLU C 85 GLU~? B 164 GLU A 85 GLU~? ULMNm 3 1ddj_c13 PLASMINOGEN user 2 3 RMSD = 1.39 A TRANSFORM -0.4584 0.7148 0.5281 0.1123 -0.5429 0.8323 -0.8816 -0.4408 -0.1686 -26.931 87.510 13.286 B 603 HIS B 74 HIS~? B 646 ASP B 26 ASP.? B 739 GLY B 81 GLY~? ULMNm 3 1ddj_c14 PLASMINOGEN user 4 3 RMSD = 1.39 A TRANSFORM 0.0561 0.3771 -0.9245 0.6892 0.6553 0.3091 -0.7224 0.6545 0.2231 -26.149 8.169 70.242 C 603 HIS D 74 HIS~? C 646 ASP D 26 ASP.? C 739 GLY D 81 GLY~? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.39 A TRANSFORM -0.6334 0.6557 0.4110 0.1403 -0.4250 0.8942 -0.7610 -0.6241 -0.1772 -26.035 81.198 81.351 D 603 HIS B 74 HIS~? D 646 ASP B 26 ASP.? D 739 GLY B 81 GLY~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 7 3 RMSD = 1.40 A TRANSFORM 0.6088 -0.6169 0.4987 -0.6527 -0.0323 0.7569 0.4508 0.7864 0.4224 59.461 112.399 -17.985 B 194 SER B 18 SER~? B 292 ASP B 68 ASP.? B 322 HIS D 74 HIS~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 93 3 RMSD = 1.40 A TRANSFORM -0.0422 0.2281 -0.9727 0.4045 0.8941 0.1921 -0.9136 0.3854 0.1300 20.837 -7.321 31.258 A 229 ALA D 56 ALA~? A 257 ALA D 58 ALA~? A 328 ASP D 63 ASP~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.40 A TRANSFORM -0.0419 0.6956 -0.7172 -0.8268 0.3789 0.4158 -0.5610 -0.6104 -0.5592 45.835 132.549 176.747 B 141 GLY B 81 GLY~? B 144 GLU D 85 GLU~? B 164 GLU B 85 GLU~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 68 3 RMSD = 1.40 A TRANSFORM -0.0736 0.0192 0.9971 -0.9943 0.0756 -0.0748 0.0769 0.9969 -0.0135 51.466 51.273 -15.075 A 229 ALA C 56 ALA~? A 257 ALA C 58 ALA~? A 328 ASP C 63 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 25 3 RMSD = 1.40 A TRANSFORM -0.1347 0.0077 0.9909 -0.5466 -0.8346 -0.0679 -0.8265 0.5508 -0.1167 71.319 73.275 -10.043 A 229 ALA B 35 ALA~? A 257 ALA B 36 ALA~? A 328 ASP B 68 ASP.? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.40 A TRANSFORM 0.7974 -0.1300 -0.5893 0.2730 -0.7932 0.5444 0.5382 0.5949 0.5970 54.440 146.357 123.834 B 141 GLY D 81 GLY~? B 144 GLU B 85 GLU~? B 164 GLU D 85 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.40 A TRANSFORM 0.3311 0.6845 0.6495 -0.0577 -0.6723 0.7380 -0.9418 0.2818 0.1831 60.869 102.117 180.391 E 141 GLY A 81 GLY~? E 144 GLU C 85 GLU~? E 164 GLU A 85 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.40 A TRANSFORM 0.6977 -0.1859 -0.6919 0.0178 -0.9609 0.2762 0.7162 0.2050 0.6671 50.004 100.040 133.081 F 141 GLY A 81 GLY~? F 144 GLU C 85 GLU~? F 164 GLU A 85 GLU~? ULMNm 3 1ddj_c14 PLASMINOGEN user 3 3 RMSD = 1.41 A TRANSFORM -0.2787 0.0030 0.9604 -0.9093 -0.3227 -0.2628 -0.3091 0.9465 -0.0927 16.511 73.081 46.528 C 603 HIS C 74 HIS~? C 646 ASP C 26 ASP.? C 739 GLY C 81 GLY~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.41 A TRANSFORM -0.0605 -0.7646 0.6417 0.8199 -0.4047 -0.4050 -0.5694 -0.5016 -0.6513 103.621 53.973 173.280 F 141 GLY B 81 GLY~? F 144 GLU D 85 GLU~? F 164 GLU B 85 GLU~? ULMNm 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 1 3 RMSD = 1.41 A TRANSFORM 0.1292 -0.9207 -0.3683 -0.8408 0.0952 -0.5330 -0.5258 -0.3785 0.7618 109.674 72.019 100.288 C 95 ASP A 64 ASP~? C 117 GLU B 50 GLU~? C 131 GLU A 67 GLU.? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.41 A TRANSFORM -0.8283 0.0489 -0.5582 0.5431 -0.1749 -0.8212 0.1378 0.9834 -0.1183 96.701 52.767 126.595 E 141 GLY B 81 GLY~? E 144 GLU D 85 GLU~? E 164 GLU B 85 GLU~? ULMNm 3 2cpu_c01 ALPHA-AMYLASE user 2 3 RMSD = 1.41 A TRANSFORM 0.5777 -0.0295 -0.8157 0.8034 -0.1562 0.5747 0.1443 0.9873 0.0666 -11.082 27.755 5.260 A 197 ASP B 64 ASP~? A 233 GLU A 50 GLU~? A 300 ASN A 91 ASN.? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.42 A TRANSFORM 0.8824 -0.3911 0.2613 0.4684 0.7819 -0.4113 0.0435 -0.4854 -0.8732 50.255 71.206 151.649 C 141 GLY A 81 GLY~? C 144 GLU C 85 GLU~? C 164 GLU A 85 GLU~? ULMNm 3 1js4_c00 ENDO-EXOCELLULASE E4 user 1 3 RMSD = 1.42 A TRANSFORM 0.8523 -0.0803 0.5168 0.3623 -0.6221 -0.6940 -0.3772 -0.7788 0.5012 42.329 66.166 63.181 A 55 ASP A 63 ASP~? A 58 ASP A 64 ASP~? A 424 GLU B 50 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.42 A TRANSFORM -0.0637 -0.9400 -0.3353 -0.8566 -0.1209 0.5017 0.5121 -0.3192 0.7974 85.282 144.561 153.934 C 141 GLY B 81 GLY~? C 144 GLU D 85 GLU~? C 164 GLU B 85 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.42 A TRANSFORM 0.9049 0.0101 0.4255 0.2606 0.7773 -0.5727 0.3365 -0.6291 -0.7007 67.687 30.947 168.408 E 141 GLY D 81 GLY~? E 144 GLU B 85 GLU~? E 164 GLU D 85 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.42 A TRANSFORM -0.7050 0.1914 0.6829 -0.2865 0.8040 -0.5211 0.6488 0.5631 0.5119 87.980 39.266 122.230 F 141 GLY D 81 GLY~? F 144 GLU B 85 GLU~? F 164 GLU D 85 GLU~? ULMNm 3 2odj_o01 PORIN D user 4 3 RMSD = 1.42 A TRANSFORM -0.0637 -0.0026 -0.9980 0.4376 0.8987 -0.0303 -0.8969 0.4386 0.0561 -37.073 -57.065 82.915 B 156 HIS B 74 HIS~? B 208 ASP D 11 ASP~? B 296 SER B 55 SER~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.42 A TRANSFORM -0.2207 -0.8109 0.5420 0.5490 -0.5626 -0.6182 -0.8062 -0.1611 -0.5693 114.858 117.657 168.450 B 141 GLY C 81 GLY~? B 144 GLU A 85 GLU~? B 164 GLU C 85 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.43 A TRANSFORM -0.0196 0.8789 0.4766 0.0605 -0.4747 0.8780 -0.9980 -0.0460 0.0439 33.460 138.563 172.495 C 141 GLY D 81 GLY~? C 144 GLU B 85 GLU~? C 164 GLU D 85 GLU~? ULMNm 3 1ddj_c14 PLASMINOGEN user 2 3 RMSD = 1.43 A TRANSFORM 0.7991 0.2866 -0.5285 -0.3960 -0.4105 -0.8214 0.4523 -0.8657 0.2145 -36.314 56.016 91.831 C 603 HIS B 74 HIS~? C 646 ASP B 26 ASP.? C 739 GLY B 81 GLY~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.43 A TRANSFORM -0.8679 0.2754 -0.4134 -0.4551 -0.7743 0.4397 0.1990 -0.5697 -0.7974 95.804 113.450 148.012 D 141 GLY A 81 GLY~? D 144 GLU C 85 GLU~? D 164 GLU A 85 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.43 A TRANSFORM 0.1781 0.8647 0.4697 0.8408 0.1142 -0.5291 0.5112 -0.4892 0.7067 60.292 40.644 155.139 D 141 GLY B 81 GLY~? D 144 GLU D 85 GLU~? D 164 GLU B 85 GLU~? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.43 A TRANSFORM -0.6338 0.6629 0.3987 0.1888 -0.3673 0.9107 -0.7501 -0.6525 -0.1076 -24.775 87.595 68.795 C 137 ARG A 54 ARG~? C 141 THR A 57 THR~? C 235 ASP A 11 ASP~? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 10 3 RMSD = 1.43 A TRANSFORM -0.6593 -0.1030 -0.7448 -0.6833 -0.3311 0.6507 0.3136 -0.9380 -0.1480 11.250 119.176 172.529 B 109 ASP B 38 ASP~? B 182 GLU B 21 GLU~? B 286 ASN B 42 ASN~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 19 3 RMSD = 1.43 A TRANSFORM -0.6608 -0.6669 -0.3444 -0.2838 0.6467 -0.7079 -0.6949 0.3701 0.6166 71.800 0.746 71.718 A 194 SER D 18 SER~? A 292 ASP D 68 ASP.? A 322 HIS B 74 HIS~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.44 A TRANSFORM -0.4494 -0.7655 -0.4605 -0.7780 0.0820 0.6229 0.4391 -0.6381 0.6324 115.904 93.951 181.229 E 141 GLY C 81 GLY~? E 144 GLU A 85 GLU~? E 164 GLU C 85 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.44 A TRANSFORM 0.1196 0.7633 -0.6349 -0.5520 0.5827 0.5965 -0.8253 -0.2791 -0.4910 33.757 66.899 174.725 F 141 GLY C 81 GLY~? F 144 GLU A 85 GLU~? F 164 GLU C 85 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.44 A TRANSFORM -0.1714 -0.8615 -0.4780 -0.0332 0.4900 -0.8711 -0.9847 0.1334 0.1125 114.820 45.282 163.649 D 141 GLY D 81 GLY~? D 144 GLU B 85 GLU~? D 164 GLU D 85 GLU~? ULMNm 3 2odj_o01 PORIN D user 6 3 RMSD = 1.44 A TRANSFORM 0.7835 0.5679 -0.2522 0.0841 -0.4991 -0.8625 0.6156 -0.6546 0.4388 -67.485 -11.992 86.777 B 156 HIS D 74 HIS~? B 208 ASP B 11 ASP~? B 296 SER D 55 SER~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 13 3 RMSD = 1.45 A TRANSFORM -0.0983 0.6903 0.7168 -0.7157 -0.5495 0.4310 -0.6914 0.4707 -0.5481 14.236 70.291 51.665 A 194 SER C 8 SER~? A 292 ASP D 64 ASP~? A 322 HIS A 74 HIS~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.45 A TRANSFORM -0.7944 0.4554 -0.4019 0.3457 -0.2049 -0.9157 0.4993 0.8664 -0.0054 56.864 101.237 105.278 C 141 GLY C 81 GLY~? C 144 GLU A 85 GLU~? C 164 GLU C 85 GLU~? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.45 A TRANSFORM 0.6471 -0.6525 -0.3943 -0.1945 0.3588 -0.9129 -0.7372 -0.6675 -0.1052 24.332 73.934 69.165 A 137 ARG A 54 ARG~? A 141 THR A 57 THR~? A 235 ASP A 11 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 73 3 RMSD = 1.45 A TRANSFORM 0.7823 -0.1603 -0.6019 -0.6126 -0.0234 -0.7900 -0.1126 -0.9868 0.1165 16.946 36.238 30.901 A 229 ALA C 58 ALA~? A 257 ALA C 56 ALA~? A 328 ASP C 63 ASP~? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 2 3 RMSD = 1.46 A TRANSFORM 0.6648 0.7458 -0.0428 -0.0265 0.0808 0.9964 -0.7465 0.6613 -0.0735 -12.500 33.914 86.858 A 109 ASP A 38 ASP~? A 182 GLU A 21 GLU~? A 286 ASN A 42 ASN~? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 12 3 RMSD = 1.46 A TRANSFORM 0.3866 0.4731 0.7917 -0.8805 0.4446 0.1643 0.2743 0.7606 -0.5884 -36.352 66.381 -29.620 A1132 ASP D 38 ASP~? A1134 ALA D 36 ALA~? A1137 ASN D 39 ASN~? ULMNm 3 2odj_o01 PORIN D user 5 3 RMSD = 1.46 A TRANSFORM -0.8292 -0.4831 0.2812 0.4843 -0.3697 0.7930 0.2791 -0.7937 -0.5405 13.187 -6.547 87.872 B 156 HIS C 74 HIS~? B 208 ASP A 11 ASP~? B 296 SER C 55 SER~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.47 A TRANSFORM 0.8672 -0.2785 0.4128 -0.3720 0.1886 0.9089 0.3310 0.9417 -0.0599 79.891 84.812 103.025 D 141 GLY C 81 GLY~? D 144 GLU A 85 GLU~? D 164 GLU C 85 GLU~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 69 3 RMSD = 1.47 A TRANSFORM -0.3729 0.2744 0.8864 -0.8679 -0.4411 -0.2285 -0.3283 0.8545 -0.4026 53.994 56.083 -4.115 A 229 ALA C 56 ALA~? A 257 ALA C 58 ALA~? A 328 ASP C 64 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 15 3 RMSD = 1.47 A TRANSFORM -0.3529 0.6025 -0.7159 0.9330 0.2846 -0.2204 -0.0710 0.7457 0.6625 19.880 -0.550 -22.811 A 229 ALA A 40 ALA~? A 257 ALA A 58 ALA~? A 328 ASP A 63 ASP~? ULMNm 3 2odj_o00 PORIN D user 7 3 RMSD = 1.47 A TRANSFORM -0.5899 0.7398 -0.3236 -0.0321 0.3790 0.9249 -0.8068 -0.5559 0.1998 0.129 26.013 89.148 A 156 HIS D 74 HIS~? A 208 ASP B 11 ASP~? A 296 SER D 55 SER~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 98 3 RMSD = 1.47 A TRANSFORM -0.1895 -0.8528 0.4867 0.3533 0.4032 0.8441 0.9161 -0.3320 -0.2249 76.587 17.279 -20.108 A 229 ALA D 58 ALA~? A 257 ALA D 56 ALA~? A 328 ASP D 63 ASP~? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 15 3 RMSD = 1.48 A TRANSFORM -0.6208 -0.5398 0.5685 -0.5345 0.8219 0.1967 0.5735 0.1817 0.7988 45.205 42.138 108.761 A 109 ASP C 68 ASP.? A 182 GLU C 67 GLU.? A 286 ASN C 32 ASN~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 48 3 RMSD = 1.49 A TRANSFORM -0.5292 0.2801 0.8009 -0.7098 -0.6633 -0.2371 -0.4648 0.6940 -0.5499 51.302 65.429 -24.497 A 229 ALA B 58 ALA~? A 257 ALA B 56 ALA~? A 328 ASP B 63 ASP~? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 5 3 RMSD = 1.49 A TRANSFORM 0.4471 0.7739 0.4485 -0.8336 0.5423 -0.1048 0.3243 0.3271 -0.8876 2.958 34.894 -6.216 A 10 ASP C 68 ASP.? A 186 ASN C 32 ASN~? A 260 ALA C 37 ALA~? ULMNm 3 2odj_o01 PORIN D user 1 3 RMSD = 1.49 A TRANSFORM -0.6951 -0.0765 0.7149 -0.1438 0.9890 -0.0340 0.7044 0.1264 0.6984 5.167 -47.499 69.360 B 156 HIS A 45 HIS.? B 208 ASP A 11 ASP~? B 296 SER B 55 SER~? ULMNm 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.49 A TRANSFORM -0.6535 0.6095 0.4488 -0.1182 0.5034 -0.8559 0.7476 0.6124 0.2570 -24.456 67.244 70.751 D 137 ARG A 54 ARG~? D 141 THR A 57 THR~? D 235 ASP A 11 ASP~? ULMNm 3 1js4_c01 ENDO-EXOCELLULASE E4 user 11 3 RMSD = 1.50 A TRANSFORM 0.7430 -0.6568 0.1291 0.6130 0.7451 0.2629 0.2688 0.1162 -0.9562 104.795 18.430 -5.477 B 55 ASP D 63 ASP~? B 58 ASP D 64 ASP~? B 424 GLU C 50 GLU~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 40 3 RMSD = 1.50 A TRANSFORM -0.2827 0.5264 0.8019 -0.6478 -0.7213 0.2452 -0.7075 0.4501 -0.5449 38.004 77.479 -11.348 A 229 ALA B 40 ALA~? A 257 ALA B 58 ALA~? A 328 ASP B 63 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 90 3 RMSD = 1.50 A TRANSFORM -0.2633 -0.9530 0.1500 -0.0803 0.1766 0.9810 0.9614 -0.2463 0.1230 78.699 42.989 -20.699 A 229 ALA D 40 ALA~? A 257 ALA D 58 ALA~? A 328 ASP D 63 ASP~?