*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1rk2_c02 RIBOKINASE user 5 4 RMSD = 1.28 A TRANSFORM -0.2965 -0.4336 0.8509 -0.2249 -0.8343 -0.5034 -0.9282 0.3406 -0.1499 58.423 56.868 159.248 C 252 ALA B 102 ALA.? C 253 ALA B 79 ALA.? C 254 GLY B 80 GLY.? C 255 ASP B 103 ASP.? ULMNm 4 1rk2_c03 RIBOKINASE user 5 4 RMSD = 1.29 A TRANSFORM -0.3718 -0.8815 0.2910 -0.0404 0.3285 0.9436 0.9275 -0.3391 0.1577 84.952 -12.853 198.293 D 252 ALA B 102 ALA.? D 253 ALA B 79 ALA.? D 254 GLY B 80 GLY.? D 255 ASP B 103 ASP.? ULMNm 4 1rk2_c01 RIBOKINASE user 5 4 RMSD = 1.29 A TRANSFORM 0.2474 0.7697 0.5885 -0.3021 -0.5158 0.8017 -0.9206 0.3762 -0.1049 -39.271 53.001 72.933 B 252 ALA B 102 ALA.? B 253 ALA B 79 ALA.? B 254 GLY B 80 GLY.? B 255 ASP B 103 ASP.? ULMNm 4 1rk2_c00 RIBOKINASE user 5 4 RMSD = 1.30 A TRANSFORM 0.0154 -0.2481 -0.9686 -0.3780 -0.8983 0.2240 0.9257 -0.3627 0.1076 19.301 74.826 115.046 A 252 ALA B 102 ALA.? A 253 ALA B 79 ALA.? A 254 GLY B 80 GLY.? A 255 ASP B 103 ASP.? ULMNm 4 1rk2_c02 RIBOKINASE user 2 4 RMSD = 1.38 A TRANSFORM -0.3054 -0.8497 0.4297 0.9313 -0.3607 -0.0512 -0.1985 -0.3845 -0.9015 84.272 9.938 200.885 C 252 ALA A 102 ALA.? C 253 ALA A 79 ALA.? C 254 GLY A 80 GLY.? C 255 ASP A 103 ASP.? ULMNm 4 1rk2_c03 RIBOKINASE user 2 4 RMSD = 1.38 A TRANSFORM 0.3999 -0.8722 0.2816 -0.8960 -0.3074 0.3204 0.1929 0.3804 0.9045 72.568 39.594 157.079 D 252 ALA A 102 ALA.? D 253 ALA A 79 ALA.? D 254 GLY A 80 GLY.? D 255 ASP A 103 ASP.? ULMNm 4 1rk2_c01 RIBOKINASE user 2 4 RMSD = 1.39 A TRANSFORM -0.9430 0.3008 0.1425 -0.2129 -0.8742 0.4363 -0.2558 -0.3811 -0.8885 7.475 73.649 117.530 B 252 ALA A 102 ALA.? B 253 ALA A 79 ALA.? B 254 GLY A 80 GLY.? B 255 ASP A 103 ASP.? ULMNm 4 1rk2_c00 RIBOKINASE user 2 4 RMSD = 1.40 A TRANSFORM 0.8547 0.3455 -0.3876 0.4581 -0.8531 0.2497 0.2444 0.3909 0.8874 -29.836 59.333 70.919 A 252 ALA A 102 ALA.? A 253 ALA A 79 ALA.? A 254 GLY A 80 GLY.? A 255 ASP A 103 ASP.? ULMNm 4 1rk2_c01 RIBOKINASE user 6 4 RMSD = 1.49 A TRANSFORM -0.5137 -0.2366 -0.8247 -0.6508 -0.5190 0.5542 0.5591 -0.8214 -0.1126 -5.532 37.876 160.452 B 252 ALA B 170 ALA^? B 253 ALA B 64 ALA~? B 254 GLY B 63 GLY~? B 255 ASP B 171 ASP.? ULMNm 4 1rk2_c03 RIBOKINASE user 6 4 RMSD = 1.49 A TRANSFORM -0.2243 -0.2576 0.9399 -0.7648 -0.5512 -0.3336 -0.6040 0.7936 0.0733 50.902 10.448 112.732 D 252 ALA B 170 ALA^? D 253 ALA B 64 ALA~? D 254 GLY B 63 GLY~? D 255 ASP B 171 ASP.? ULMNm 4 1rk2_c00 RIBOKINASE user 6 4 RMSD = 1.49 A TRANSFORM 0.8108 0.5236 0.2616 -0.1637 -0.2263 0.9602 -0.5619 0.8214 0.0978 3.054 40.120 28.072 A 252 ALA B 170 ALA^? A 253 ALA B 64 ALA~? A 254 GLY B 63 GLY~? A 255 ASP B 171 ASP.? ULMNm 4 1rk2_c02 RIBOKINASE user 6 4 RMSD = 1.49 A TRANSFORM -0.6832 -0.5561 0.4733 0.4186 0.2328 0.8778 0.5983 -0.7979 -0.0737 48.393 17.024 244.964 C 252 ALA B 170 ALA^? C 253 ALA B 64 ALA~? C 254 GLY B 63 GLY~? C 255 ASP B 171 ASP.? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 2 3 RMSD = 0.66 A TRANSFORM 0.7969 -0.5622 0.2211 0.3752 0.7474 0.5483 0.4735 0.3539 -0.8065 46.877 4.914 3.880 B 1 SER B 118 SER~? B 69 ALA B 90 ALA.? B 241 ASN B 122 ASN~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 0.75 A TRANSFORM 0.6439 -0.6818 -0.3472 -0.3183 -0.6514 0.6888 0.6958 0.3330 0.6364 50.417 1.731 -147.769 A 183 GLY A 80 GLY.? B 419 GLY A 101 GLY.? B 420 ALA A 100 ALA~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 1 3 RMSD = 0.75 A TRANSFORM 0.2543 0.0143 0.9670 -0.8448 0.4901 0.2149 0.4708 0.8716 -0.1367 12.337 37.394 -29.610 B 1 SER A 118 SER~? B 69 ALA A 90 ALA.? B 241 ASN A 122 ASN~? ULMNm 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 2 3 RMSD = 0.83 A TRANSFORM 0.3185 -0.5116 -0.7980 -0.0613 0.8290 -0.5559 -0.9459 -0.2260 -0.2326 36.748 -15.072 86.244 16 ALA A 218 ALA~? 19 HIS A 179 HIS~? 22 HIS A 176 HIS~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 9 3 RMSD = 0.90 A TRANSFORM -0.5162 0.7582 -0.3984 -0.8562 -0.4693 0.2162 0.0231 -0.4526 -0.8914 -23.954 67.753 7.054 A 229 ALA B 37 ALA.? A 257 ALA B 39 ALA.? A 328 ASP B 69 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 0.92 A TRANSFORM -0.4648 0.2669 -0.8442 -0.0340 -0.9582 -0.2842 0.8848 0.1034 -0.4544 17.537 92.736 -43.653 A 229 ALA A 37 ALA.? A 257 ALA A 39 ALA.? A 328 ASP A 69 ASP~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 0.92 A TRANSFORM 0.0235 0.3585 -0.9332 -0.1015 -0.9278 -0.3589 0.9946 -0.1032 -0.0146 -9.778 -20.781 -115.198 A 183 GLY B 87 GLY.? B 419 GLY B 89 GLY.? B 420 ALA B 90 ALA.? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 0.93 A TRANSFORM 0.4358 0.6452 -0.6275 0.8740 -0.4698 0.1239 0.2149 0.6024 0.7687 -31.665 -65.457 -155.045 A 183 GLY A 87 GLY.? B 419 GLY A 89 GLY.? B 420 ALA A 90 ALA.? ULMNm 3 2odj_o00 PORIN D user 1 3 RMSD = 0.94 A TRANSFORM 0.1937 0.7903 -0.5814 0.0638 0.5812 0.8113 -0.9790 0.1942 -0.0621 -43.947 11.466 53.966 A 156 HIS A 176 HIS~? A 208 ASP A 171 ASP.? A 296 SER A 151 SER.? ULMNm 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 4 3 RMSD = 0.97 A TRANSFORM -0.8814 -0.1071 -0.4601 0.2165 0.7742 -0.5948 -0.4199 0.6239 0.6592 23.120 -14.404 21.888 16 ALA B 218 ALA~? 19 HIS B 179 HIS~? 22 HIS B 176 HIS~? ULMNm 3 2odj_o00 PORIN D user 5 3 RMSD = 0.97 A TRANSFORM 0.1136 0.5803 -0.8065 0.9930 -0.0925 0.0733 0.0320 0.8091 0.5867 -32.151 45.770 1.040 A 156 HIS B 176 HIS~? A 208 ASP B 171 ASP.? A 296 SER B 151 SER.? ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 1 3 RMSD = 1.01 A TRANSFORM 0.2632 -0.6790 0.6853 0.9317 0.3631 0.0020 0.2502 -0.6380 -0.7282 31.495 13.189 49.289 A 53 SER A 151 SER.? A 54 PRO A 152 PRO~? A 96 ASP A 150 ASP.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 18 3 RMSD = 1.01 A TRANSFORM 0.4510 0.8537 -0.2603 0.6037 -0.5066 -0.6156 0.6574 -0.1205 0.7438 -12.652 -80.073 -104.612 A 420 ALA B 170 ALA^? B 182 GLY B 91 GLY~? B 183 GLY B 89 GLY.? ULMNm 3 3nwu_o00 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.01 A TRANSFORM -0.6881 0.7251 0.0266 -0.7130 -0.6825 0.1607 -0.1347 -0.0916 -0.9866 -76.744 71.554 -39.733 A 220 HIS B 207 HIS.? A 250 ASP B 216 ASP~? A 328 SER B 174 SER.? ULMNm 3 3nwu_o02 SERINE PROTEASE HTRA1 user 3 3 RMSD = 1.01 A TRANSFORM -0.7660 -0.6328 0.1133 0.0231 0.1491 0.9886 0.6425 -0.7598 0.0996 -27.552 62.729 9.912 C 220 HIS B 207 HIS.? C 250 ASP B 216 ASP~? C 328 SER B 174 SER.? ULMNm 3 3nwu_o01 SERINE PROTEASE HTRA1 user 3 3 RMSD = 1.02 A TRANSFORM 0.0131 0.0427 0.9990 -0.7321 0.6809 -0.0195 0.6811 0.7311 -0.0402 -29.217 19.644 -45.348 B 220 HIS B 207 HIS.? B 250 ASP B 216 ASP~? B 328 SER B 174 SER.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 9 3 RMSD = 1.02 A TRANSFORM -0.3095 0.9374 -0.1596 0.8703 0.3469 0.3497 -0.3832 0.0307 0.9232 -7.091 -142.152 -104.496 A 420 ALA A 170 ALA^? B 182 GLY A 91 GLY~? B 183 GLY A 89 GLY.? ULMNm 3 4mdh_c03 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 3 3 RMSD = 1.03 A TRANSFORM 0.3538 0.7227 -0.5937 0.2508 -0.6848 -0.6842 0.9011 -0.0932 0.4235 -3.613 33.583 64.068 B 158 ASP B 216 ASP~? B 161 ARG B 215 ARG~? B 186 HIS B 207 HIS.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 19 3 RMSD = 1.08 A TRANSFORM -0.2320 0.9086 0.3472 -0.7627 0.0516 -0.6447 0.6037 0.4144 -0.6811 -0.847 -18.699 -27.182 A 67 ASP B 69 ASP~? A 68 ALA B 68 ALA~? A 72 LEU B 71 LEU~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 10 3 RMSD = 1.08 A TRANSFORM -0.4325 -0.5991 0.6738 -0.7437 -0.1854 -0.6422 -0.5097 0.7789 0.3654 70.618 18.919 -2.919 A 316 ALA B 88 ALA.? A 317 GLY B 89 GLY.? A 318 ASP B 109 ASP^? ULMNm 3 3hde_o00 LYSOZYME user 1 3 RMSD = 1.09 A TRANSFORM -0.5408 0.4335 0.7208 0.1809 -0.7770 0.6030 -0.8215 -0.4565 -0.3418 8.806 29.813 19.387 A 35 GLU A 85 GLU^? A 44 ASP A 171 ASP.? A 50 THR A 204 THR^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 1.09 A TRANSFORM -0.1530 -0.9490 0.2756 0.5019 -0.3148 -0.8056 -0.8513 -0.0151 -0.5245 88.708 13.981 56.851 A 316 ALA A 88 ALA.? A 317 GLY A 89 GLY.? A 318 ASP A 109 ASP^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.09 A TRANSFORM -0.7423 -0.6311 0.2253 -0.6198 0.5189 -0.5887 -0.2546 0.5766 0.7763 121.359 -18.455 7.518 A 67 ASP A 69 ASP~? A 68 ALA A 66 ALA~? A 72 LEU A 67 LEU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 16 3 RMSD = 1.10 A TRANSFORM -0.3860 0.0110 0.9224 -0.1418 0.9873 -0.0711 0.9115 0.1583 0.3795 73.700 -57.823 23.251 A 67 ASP B 69 ASP~? A 68 ALA B 66 ALA~? A 72 LEU B 67 LEU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 4 3 RMSD = 1.11 A TRANSFORM -0.9002 0.2690 -0.3423 0.2938 -0.2048 -0.9337 0.3213 0.9411 -0.1053 53.507 -11.877 -58.639 A 67 ASP A 69 ASP~? A 68 ALA A 68 ALA~? A 72 LEU A 71 LEU~? ULMNm 3 1qrz_c21 PLASMINOGEN user 1 3 RMSD = 1.14 A TRANSFORM -0.6895 0.6093 -0.3916 -0.0237 -0.5593 -0.8286 0.7239 0.5621 -0.4001 -61.066 6.609 -65.811 B 603 HIS A 179 HIS~? B 646 ASP A 180 ASP~? B 739 GLY A 87 GLY.? ULMNm 3 3hde_o01 LYSOZYME user 1 3 RMSD = 1.14 A TRANSFORM 0.8172 -0.0133 0.5761 -0.0709 0.9898 0.1234 0.5719 0.1418 -0.8080 -18.952 -62.918 -70.430 B 35 GLU A 85 GLU^? B 44 ASP A 171 ASP.? B 50 THR A 204 THR^? ULMNm 3 1qrz_c22 PLASMINOGEN user 1 3 RMSD = 1.16 A TRANSFORM -0.9044 -0.3592 0.2301 0.0133 0.5154 0.8569 0.4264 -0.7780 0.4614 56.293 -9.823 40.082 C 603 HIS A 179 HIS~? C 646 ASP A 180 ASP~? C 739 GLY A 87 GLY.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 8 3 RMSD = 1.16 A TRANSFORM -0.6795 -0.7247 0.1143 -0.7031 0.6877 0.1807 0.2096 -0.0425 0.9769 67.641 -15.920 69.540 A 316 ALA B 64 ALA~? A 317 GLY B 63 GLY~? A 318 ASP B 171 ASP.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.17 A TRANSFORM 0.9609 -0.0630 -0.2696 -0.2268 0.3792 -0.8971 -0.1587 -0.9232 -0.3501 -28.065 -43.473 200.818 C 70 ALA A 64 ALA~? C 126 LEU A 67 LEU~? C 158 GLU A 85 GLU^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 12 3 RMSD = 1.17 A TRANSFORM -0.2569 -0.9635 -0.0757 -0.8247 0.2594 -0.5025 -0.5038 0.0667 0.8612 79.160 -11.599 53.918 A 316 ALA B 170 ALA^? A 317 GLY B 63 GLY~? A 318 ASP B 171 ASP.? ULMNm 3 1qrz_c21 PLASMINOGEN user 3 3 RMSD = 1.17 A TRANSFORM 0.0860 0.9963 -0.0040 -0.9823 0.0842 -0.1673 0.1664 -0.0183 -0.9859 -98.355 -26.180 -21.865 B 603 HIS B 179 HIS~? B 646 ASP B 180 ASP~? B 739 GLY B 87 GLY.? ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 3 3 RMSD = 1.18 A TRANSFORM 0.0700 -0.8924 0.4458 0.2768 -0.4120 -0.8681 -0.9584 -0.1842 -0.2181 50.758 70.863 32.991 A 53 SER B 151 SER.? A 54 PRO B 152 PRO~? A 96 ASP B 150 ASP.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 28 3 RMSD = 1.19 A TRANSFORM 0.1756 -0.8498 0.4970 -0.8018 0.1694 0.5730 0.5712 0.4991 0.6517 125.414 -10.479 5.799 A 67 ASP B 196 ASP.? A 68 ALA B 199 ALA.? A 72 LEU B 190 LEU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.19 A TRANSFORM -0.2992 -0.3773 0.8764 0.9401 -0.2739 0.2030 -0.1635 -0.8847 -0.4366 48.073 24.390 195.593 A 70 ALA A 64 ALA~? A 126 LEU A 67 LEU~? A 158 GLU A 85 GLU^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 12 3 RMSD = 1.20 A TRANSFORM 0.8775 -0.0364 -0.4781 0.0724 -0.9756 0.2071 0.4740 0.2163 0.8535 145.181 80.276 -0.030 A 316 ALA B 88 ALA.? A 317 GLY B 89 GLY.? A 318 ASP B 109 ASP^? ULMNm 3 4mdh_c02 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 1 3 RMSD = 1.21 A TRANSFORM -0.2650 -0.9339 0.2401 0.2229 -0.3016 -0.9270 -0.9381 0.1921 -0.2880 67.494 16.676 21.081 A 158 ASP B 216 ASP~? A 161 ARG B 215 ARG~? A 186 HIS B 207 HIS.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 9 3 RMSD = 1.21 A TRANSFORM 0.4646 -0.5203 0.7165 -0.3443 -0.8517 -0.3952 -0.8158 0.0631 0.5748 66.909 14.453 -42.651 B 250 ALA B 64 ALA~? B 251 GLY B 63 GLY~? B 252 ASP B 171 ASP.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 4 3 RMSD = 1.21 A TRANSFORM 0.4872 0.7617 0.4272 0.5048 -0.6448 0.5739 -0.7126 0.0640 0.6987 95.704 49.742 23.262 A 316 ALA A 88 ALA.? A 317 GLY A 89 GLY.? A 318 ASP A 109 ASP^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 9 3 RMSD = 1.22 A TRANSFORM 0.6885 0.6494 0.3229 -0.3413 0.6829 -0.6458 0.6399 -0.3344 -0.6918 1.659 -73.697 2.009 A 250 ALA B 64 ALA~? A 251 GLY B 63 GLY~? A 252 ASP B 171 ASP.? ULMNm 3 2odj_o01 PORIN D user 1 3 RMSD = 1.22 A TRANSFORM 0.9819 -0.1893 0.0101 -0.1248 -0.6858 -0.7170 -0.1427 -0.7027 0.6970 -33.250 7.703 129.901 B 156 HIS A 176 HIS~? B 208 ASP A 171 ASP.? B 296 SER A 151 SER.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 9 3 RMSD = 1.22 A TRANSFORM 0.5888 0.2564 -0.7666 -0.6153 -0.4728 -0.6307 0.5241 -0.8431 0.1206 114.018 25.918 50.577 A 316 ALA B 64 ALA~? A 317 GLY B 63 GLY~? A 318 ASP B 171 ASP.? ULMNm 3 3hde_o02 LYSOZYME user 2 3 RMSD = 1.22 A TRANSFORM -0.7071 -0.2647 -0.6557 0.6975 -0.4137 -0.5851 0.1164 0.8711 -0.4772 13.918 21.429 -62.226 C 35 GLU B 85 GLU^? C 44 ASP B 171 ASP.? C 50 THR B 204 THR^? ULMNm 3 12as_c00 ASPARAGINE SYNTHETASE user 3 3 RMSD = 1.23 A TRANSFORM 0.3299 0.7795 0.5326 -0.5208 -0.3202 0.7913 -0.7873 0.5384 -0.3003 -9.965 69.023 -25.264 A 46 ASP A 103 ASP.? A 100 ARG B 32 ARG^? A 116 GLN B 34 GLN^? ULMNm 3 2odj_o01 PORIN D user 6 3 RMSD = 1.23 A TRANSFORM -0.0675 -0.7835 -0.6177 -0.9972 0.0335 0.0665 0.0314 -0.6205 0.7836 18.598 -29.844 125.444 B 156 HIS B 176 HIS~? B 208 ASP B 171 ASP.? B 296 SER B 151 SER.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 8 3 RMSD = 1.23 A TRANSFORM 0.2963 0.6655 0.6851 0.8164 -0.5487 0.1799 -0.4956 -0.5060 0.7059 6.982 -93.546 -74.481 A 420 ALA A 170 ALA^? B 182 GLY A 89 GLY.? B 183 GLY A 87 GLY.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 17 3 RMSD = 1.24 A TRANSFORM 0.9830 -0.0948 -0.1570 -0.1342 -0.9553 -0.2634 0.1250 -0.2800 0.9518 51.028 -52.825 -94.912 A 420 ALA B 170 ALA^? B 182 GLY B 89 GLY.? B 183 GLY B 87 GLY.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 12 3 RMSD = 1.24 A TRANSFORM 0.1453 0.8682 -0.4744 0.0133 -0.4812 -0.8765 0.9893 -0.1211 0.0815 -31.578 -1.351 11.780 A 250 ALA B 88 ALA.? A 251 GLY B 89 GLY.? A 252 ASP B 109 ASP^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 12 3 RMSD = 1.24 A TRANSFORM -0.0152 0.6581 0.7527 0.1923 -0.7368 0.6481 -0.9812 -0.1546 0.1154 -11.147 33.115 -44.381 B 250 ALA B 88 ALA.? B 251 GLY B 89 GLY.? B 252 ASP B 109 ASP^? ULMNm 3 3hde_o00 LYSOZYME user 3 3 RMSD = 1.24 A TRANSFORM 0.7719 0.2214 0.5960 -0.1419 -0.8538 0.5009 -0.6197 0.4712 0.6276 8.276 39.003 -45.192 A 35 GLU B 85 GLU^? A 44 ASP B 171 ASP.? A 50 THR B 204 THR^? ULMNm 3 3hde_o01 LYSOZYME user 3 3 RMSD = 1.25 A TRANSFORM 0.4338 -0.8476 -0.3056 0.8055 0.5168 -0.2899 -0.4036 0.1204 -0.9070 41.540 -41.065 -58.087 B 35 GLU B 85 GLU^? B 44 ASP B 171 ASP.? B 50 THR B 204 THR^? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 7 3 RMSD = 1.25 A TRANSFORM 0.5440 0.4788 -0.6890 0.7619 0.0621 0.6447 -0.3514 0.8757 0.3310 -36.164 35.604 -67.076 A 49 ASP B 171 ASP.? A 147 THR B 206 THR^? A 294 ASP B 69 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 4 3 RMSD = 1.25 A TRANSFORM -0.9937 0.0611 0.0936 0.0363 -0.6151 0.7876 -0.1056 -0.7861 -0.6090 41.513 23.593 -11.825 B 250 ALA A 88 ALA.? B 251 GLY A 89 GLY.? B 252 ASP A 109 ASP^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 4 3 RMSD = 1.25 A TRANSFORM -0.2091 0.8391 -0.5022 0.9671 0.1014 -0.2332 0.1447 0.5345 0.8327 -22.454 -52.070 -23.822 A 250 ALA A 88 ALA.? A 251 GLY A 89 GLY.? A 252 ASP A 109 ASP^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 13 3 RMSD = 1.26 A TRANSFORM 0.1551 -0.9478 0.2786 -0.4805 0.1741 0.8596 0.8632 0.2672 0.4284 99.068 16.246 60.233 A 316 ALA B 228 ALA.? A 317 GLY B 227 GLY.? A 318 ASP B 226 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 10 3 RMSD = 1.27 A TRANSFORM 0.2465 -0.9573 0.1510 -0.5987 -0.0279 0.8005 0.7621 0.2877 0.5800 95.544 -7.440 -51.577 B 250 ALA B 79 ALA.? B 251 GLY B 80 GLY.? B 252 ASP B 103 ASP.? ULMNm 3 1dco_c00 DCOH user 3 3 RMSD = 1.27 A TRANSFORM 0.5014 0.0744 -0.8620 0.2338 0.9476 0.2178 -0.8330 0.3108 -0.4577 23.768 0.349 -0.014 A 62 HIS B 207 HIS.? A 63 HIS B 208 HIS.? A 89 ASP B 216 ASP~? ULMNm 3 4kbp_c02 PURPLE ACID PHOSPHATASE user 1 3 RMSD = 1.27 A TRANSFORM -0.1397 0.8669 -0.4786 -0.0529 0.4761 0.8778 -0.9888 -0.1480 0.0207 -8.624 39.187 52.150 C 202 HIS B 211 HIS.? C 295 HIS B 258 HIS^? C 296 HIS B 207 HIS.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 13 3 RMSD = 1.28 A TRANSFORM 0.3363 -0.5378 0.7731 -0.6805 -0.7063 -0.1953 -0.6510 0.4604 0.6035 99.693 53.232 25.434 A 67 ASP A 196 ASP.? A 68 ALA A 199 ALA.? A 72 LEU A 190 LEU~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 10 3 RMSD = 1.28 A TRANSFORM 0.3470 -0.2741 -0.8969 -0.1630 0.9242 -0.3455 -0.9236 -0.2660 -0.2760 30.779 -96.589 3.106 A 250 ALA B 79 ALA.? A 251 GLY B 80 GLY.? A 252 ASP B 103 ASP.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 6 3 RMSD = 1.29 A TRANSFORM -0.1807 0.6388 -0.7479 -0.3360 -0.7547 -0.5634 0.9244 -0.1495 -0.3510 2.371 49.800 -14.739 A 67 ASP A 171 ASP.? A 68 ALA A 64 ALA~? A 72 LEU A 67 LEU~? ULMNm 3 2c7v_c11 PTERIDINE REDUCTASE user 1 3 RMSD = 1.29 A TRANSFORM 0.5145 -0.8026 0.3020 0.1359 -0.2714 -0.9528 -0.8467 -0.5312 0.0306 8.553 -17.301 62.259 D 14 ARG A 157 ARG~? D 161 ASP A 150 ASP.? D 174 TYR A 146 TYR.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 14 3 RMSD = 1.29 A TRANSFORM 0.7822 0.5321 -0.3242 0.1973 -0.7050 -0.6812 0.5910 -0.4689 0.6564 112.650 44.501 44.690 A 316 ALA B 170 ALA^? A 317 GLY B 63 GLY~? A 318 ASP B 171 ASP.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 15 3 RMSD = 1.29 A TRANSFORM -0.5576 0.4293 -0.7105 -0.5450 -0.8349 -0.0767 0.6261 -0.3445 -0.6995 83.952 53.435 21.929 A 316 ALA B 228 ALA.? A 317 GLY B 227 GLY.? A 318 ASP B 226 ASP~? ULMNm 3 4kbp_c01 PURPLE ACID PHOSPHATASE user 1 3 RMSD = 1.29 A TRANSFORM 0.1395 -0.8689 0.4749 0.3035 0.4941 0.8147 0.9426 -0.0305 -0.3326 84.749 41.281 61.991 B 202 HIS B 211 HIS.? B 295 HIS B 258 HIS^? B 296 HIS B 207 HIS.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 11 3 RMSD = 1.29 A TRANSFORM -0.4531 -0.8691 0.1983 -0.8848 0.4656 0.0190 0.1088 0.1668 0.9800 92.447 -133.040 -120.285 A 420 ALA B 64 ALA~? B 182 GLY B 89 GLY.? B 183 GLY B 91 GLY~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 11 3 RMSD = 1.29 A TRANSFORM 0.5604 -0.8258 -0.0634 0.8079 0.5620 -0.1773 -0.1820 -0.0481 -0.9821 81.682 -46.997 -11.294 A 67 ASP A 196 ASP.? A 68 ALA A 191 ALA.? A 72 LEU A 190 LEU~? ULMNm 3 2c7v_c10 PTERIDINE REDUCTASE user 1 3 RMSD = 1.29 A TRANSFORM 0.1406 0.9665 -0.2149 -0.2306 0.2431 0.9422 -0.9628 0.0829 -0.2570 -47.704 26.937 39.485 C 14 ARG A 157 ARG~? C 161 ASP A 150 ASP.? C 174 TYR A 146 TYR.? ULMNm 3 12as_c01 ASPARAGINE SYNTHETASE user 3 3 RMSD = 1.29 A TRANSFORM -0.3219 -0.8484 -0.4202 0.8292 -0.0384 -0.5576 -0.4569 0.5279 -0.7159 81.814 23.760 -33.217 B 46 ASP A 103 ASP.? B 100 ARG B 32 ARG^? B 116 GLN B 34 GLN^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 7 3 RMSD = 1.29 A TRANSFORM 0.4153 -0.5676 0.7109 -0.7283 -0.6757 -0.1140 -0.5451 0.4704 0.6940 69.192 68.370 62.226 A 316 ALA A 228 ALA.? A 317 GLY A 227 GLY.? A 318 ASP A 226 ASP~? ULMNm 3 2c7v_c08 PTERIDINE REDUCTASE user 1 3 RMSD = 1.30 A TRANSFORM -0.5005 0.8035 -0.3224 0.2337 -0.2332 -0.9439 0.8336 0.5478 0.0711 -25.279 -21.318 -22.861 A 14 ARG A 157 ARG~? A 161 ASP A 150 ASP.? A 174 TYR A 146 TYR.? ULMNm 3 1emd_c01 MALATE DEHYDROGENASE (E.C.1.1.1.37) user 2 3 RMSD = 1.30 A TRANSFORM 0.5991 0.7801 -0.1802 -0.5120 0.5463 0.6629 -0.6156 0.3049 -0.7267 -26.255 -13.433 -31.384 150 ASP B 216 ASP~? 153 ARG B 215 ARG~? 177 HIS B 207 HIS.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.30 A TRANSFORM -0.0922 -0.4746 -0.8753 -0.7020 0.6544 -0.2809 -0.7062 -0.5886 0.3936 53.784 -121.318 -68.719 A 420 ALA A 64 ALA~? B 182 GLY A 87 GLY.? B 183 GLY A 89 GLY.? ULMNm 3 1lci_c00 LUCIFERASE user 4 3 RMSD = 1.30 A TRANSFORM -0.9565 -0.1276 0.2624 0.0204 0.8679 0.4964 0.2910 -0.4801 0.8275 12.984 62.131 95.427 218 ARG B 215 ARG~? 245 HIS B 208 HIS.? 343 THR B 206 THR^? ULMNm 3 4kbp_c00 PURPLE ACID PHOSPHATASE user 1 3 RMSD = 1.31 A TRANSFORM -0.9481 -0.1950 0.2512 -0.1269 -0.4923 -0.8611 -0.2916 0.8483 -0.4420 68.879 48.524 -14.689 A 202 HIS B 211 HIS.? A 295 HIS B 258 HIS^? A 296 HIS B 207 HIS.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.31 A TRANSFORM 0.3594 -0.9243 0.1281 -0.4593 -0.2947 -0.8379 -0.8123 -0.2423 0.5305 84.393 -83.992 -82.426 A 420 ALA A 64 ALA~? B 182 GLY A 89 GLY.? B 183 GLY A 91 GLY~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 15 3 RMSD = 1.31 A TRANSFORM 0.2426 0.9686 -0.0552 -0.9303 0.2484 0.2700 -0.2752 0.0141 -0.9613 -29.253 -54.859 -34.356 A 250 ALA B 228 ALA.? A 251 GLY B 227 GLY.? A 252 ASP B 226 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 14 3 RMSD = 1.31 A TRANSFORM 0.0454 -0.2351 0.9709 0.3705 -0.8987 -0.2349 -0.9277 -0.3703 -0.0463 54.064 27.484 -36.550 B 250 ALA B 170 ALA^? B 251 GLY B 63 GLY~? B 252 ASP B 171 ASP.? ULMNm 3 4kbp_c03 PURPLE ACID PHOSPHATASE user 1 3 RMSD = 1.31 A TRANSFORM 0.9914 -0.0837 -0.1006 0.1289 0.4940 0.8598 0.0222 0.8654 -0.5006 78.854 130.339 -13.130 D 202 HIS B 211 HIS.? D 295 HIS B 258 HIS^? D 296 HIS B 207 HIS.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 10 3 RMSD = 1.32 A TRANSFORM -0.9669 0.1691 -0.1912 0.1538 0.9838 0.0921 -0.2037 -0.0596 0.9772 19.195 -155.663 -109.504 A 420 ALA B 64 ALA~? B 182 GLY B 87 GLY.? B 183 GLY B 89 GLY.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 14 3 RMSD = 1.32 A TRANSFORM -0.0236 0.8983 0.4387 -0.0840 0.4355 -0.8962 0.9962 0.0580 -0.0652 -15.089 -64.225 0.411 A 250 ALA B 170 ALA^? A 251 GLY B 63 GLY~? A 252 ASP B 171 ASP.? ULMNm 3 2c7v_c09 PTERIDINE REDUCTASE user 1 3 RMSD = 1.32 A TRANSFORM -0.1415 -0.9613 0.2366 -0.1401 0.2560 0.9565 0.9800 -0.1022 0.1709 32.439 23.956 -4.919 B 14 ARG A 157 ARG~? B 161 ASP A 150 ASP.? B 174 TYR A 146 TYR.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 10 3 RMSD = 1.33 A TRANSFORM -0.7139 0.1504 -0.6839 -0.5494 0.4851 0.6803 -0.4341 -0.8614 0.2637 111.727 -8.553 64.763 A 316 ALA B 79 ALA.? A 317 GLY B 80 GLY.? A 318 ASP B 103 ASP.? ULMNm 3 1ldm_c01 M4 LACTATE DEHYDROGENASE user 2 3 RMSD = 1.33 A TRANSFORM -0.6424 0.6430 -0.4170 0.1161 -0.4561 -0.8823 0.7575 0.6153 -0.2183 -37.071 12.862 -19.343 166 ASP B 216 ASP~? 169 ARG B 215 ARG~? 193 HIS B 207 HIS.? ULMNm 3 2odj_o00 PORIN D user 3 3 RMSD = 1.33 A TRANSFORM 0.1671 0.8211 -0.5458 0.3756 0.4589 0.8052 -0.9116 0.3395 0.2317 -44.116 5.912 49.022 A 156 HIS A 179 HIS~? A 208 ASP A 171 ASP.? A 296 SER A 154 SER~? ULMNm 3 1cns_c01 CHITINASE user 1 3 RMSD = 1.34 A TRANSFORM -0.5682 0.8177 -0.0918 0.5714 0.3118 -0.7592 0.5922 0.4838 0.6444 -28.303 -52.648 11.974 B 67 GLU A 120 GLU~? B 89 GLU B 125 GLU~? B 120 SER A 140 SER.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 15 3 RMSD = 1.34 A TRANSFORM 0.9719 -0.0330 -0.2330 -0.1098 -0.9392 -0.3252 0.2081 -0.3417 0.9165 43.167 27.280 0.111 B 250 ALA B 228 ALA.? B 251 GLY B 227 GLY.? B 252 ASP B 226 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.34 A TRANSFORM 0.3022 -0.9507 -0.0701 -0.7052 -0.1735 -0.6875 -0.6414 -0.2572 0.7228 71.523 45.355 93.397 A 316 ALA A 64 ALA~? A 317 GLY A 63 GLY~? A 318 ASP A 171 ASP.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 8 3 RMSD = 1.35 A TRANSFORM -0.3870 -0.2466 -0.8885 0.0395 -0.9671 0.2512 0.9212 -0.0621 -0.3841 55.487 63.535 -20.027 A 67 ASP A 171 ASP.? A 68 ALA A 170 ALA^? A 72 LEU A 169 LEU^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 8 3 RMSD = 1.35 A TRANSFORM 0.2767 0.2558 -0.9263 0.6431 -0.7655 -0.0193 0.7140 0.5904 0.3764 89.313 34.318 -34.704 A 316 ALA A 228 ALA.? A 317 GLY A 227 GLY.? A 318 ASP A 226 ASP~? ULMNm 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 3 3 RMSD = 1.35 A TRANSFORM 0.2599 -0.5398 0.8006 0.5195 0.7771 0.3553 0.8139 -0.3236 -0.4824 32.777 -45.297 13.533 54 ASP A 171 ASP.? 158 THR A 206 THR.? 317 ASP A 69 ASP~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 4 3 RMSD = 1.35 A TRANSFORM 0.7936 0.2313 -0.5628 0.5569 0.0966 0.8249 -0.2452 0.9681 0.0521 10.719 60.643 22.605 A 241 ASP B 180 ASP~? A 265 GLU B 214 GLU~? A 369 ASP B 226 ASP~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 5 3 RMSD = 1.36 A TRANSFORM -0.7397 -0.6714 -0.0467 -0.6623 0.7137 0.2280 0.1198 -0.1996 0.9725 27.152 -20.754 116.527 A 241 ASP B 226 ASP~? A 265 GLU B 214 GLU~? A 369 ASP B 180 ASP~? ULMNm 3 2odj_o01 PORIN D user 3 3 RMSD = 1.36 A TRANSFORM 0.9035 -0.3286 -0.2752 -0.4218 -0.5680 -0.7067 -0.0759 -0.7546 0.6518 -28.014 13.063 129.468 B 156 HIS A 179 HIS~? B 208 ASP A 171 ASP.? B 296 SER A 154 SER~? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 2 3 RMSD = 1.37 A TRANSFORM 0.5884 -0.6380 0.4967 0.3675 -0.3362 -0.8671 -0.7202 -0.6928 -0.0367 79.112 102.808 65.703 A 137 ARG B 263 ARG^? A 141 THR B 198 THR.? A 235 ASP B 226 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 18 3 RMSD = 1.37 A TRANSFORM -0.8403 0.4116 0.3529 -0.5383 -0.5560 -0.6333 0.0644 0.7221 -0.6888 29.111 20.704 -48.432 A 67 ASP B 69 ASP~? A 68 ALA B 68 ALA~? A 72 LEU B 67 LEU~? ULMNm 3 1al6_c00 CITRATE SYNTHASE user 1 3 RMSD = 1.37 A TRANSFORM -0.1546 0.8797 0.4496 0.6115 -0.2723 0.7429 -0.7760 -0.3898 0.4959 -17.810 38.718 28.518 274 HIS B 208 HIS.? 320 HIS B 258 HIS^? 375 ASP B 171 ASP.? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 3 3 RMSD = 1.38 A TRANSFORM 0.2781 0.9311 -0.2361 -0.4081 0.3370 0.8485 -0.8696 0.1396 -0.4737 -64.199 29.348 -9.398 A 49 ASP A 171 ASP.? A 147 THR A 206 THR.? A 294 ASP A 69 ASP~? ULMNm 3 2odj_o00 PORIN D user 7 3 RMSD = 1.38 A TRANSFORM 0.1556 0.5880 -0.7938 0.9178 -0.3832 -0.1040 0.3654 0.7123 0.5992 -32.026 55.686 9.409 A 156 HIS B 179 HIS~? A 208 ASP B 171 ASP.? A 296 SER B 154 SER~? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 4 3 RMSD = 1.38 A TRANSFORM 0.7066 -0.3209 -0.6307 -0.6904 -0.1171 -0.7139 -0.1552 -0.9399 0.3042 -20.891 32.647 38.328 A 49 ASP A 171 ASP.? A 147 THR A 206 THR.? A 294 ASP A 216 ASP.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.38 A TRANSFORM -0.6500 -0.4747 -0.5935 0.7567 -0.4766 -0.4475 0.0704 0.7400 -0.6689 88.334 0.538 -49.001 A 67 ASP A 69 ASP~? A 68 ALA A 68 ALA~? A 72 LEU A 67 LEU~? ULMNm 3 1bd3_c03 URACIL PHOSPHORIBOSYLTRANSFERASE user 4 3 RMSD = 1.38 A TRANSFORM -0.4620 0.6122 0.6417 -0.1499 0.6592 -0.7369 0.8741 0.4366 0.2127 -6.652 18.588 79.401 B 137 ARG B 29 ARG.? B 141 THR A 159 THR~? B 235 ASP B 171 ASP.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 4 3 RMSD = 1.38 A TRANSFORM -0.9262 -0.3716 -0.0634 -0.3184 0.6812 0.6592 0.2018 -0.6308 0.7493 67.884 2.106 98.228 A 316 ALA A 102 ALA.? A 317 GLY A 80 GLY.? A 318 ASP A 103 ASP.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.38 A TRANSFORM 0.9150 0.3636 -0.1745 -0.0069 -0.4185 -0.9082 0.4033 -0.8322 0.3805 -49.956 -3.557 195.426 C 70 ALA A 68 ALA~? C 126 LEU A 67 LEU~? C 158 GLU A 85 GLU^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 8 3 RMSD = 1.39 A TRANSFORM -0.6156 0.7143 -0.3329 -0.3130 -0.6093 -0.7285 0.7233 0.3443 -0.5987 -1.577 -9.255 -61.905 A 250 ALA A 228 ALA.? A 251 GLY A 227 GLY.? A 252 ASP A 226 ASP~? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 5 3 RMSD = 1.39 A TRANSFORM 0.5279 0.5851 0.6156 0.4547 -0.8069 0.3770 -0.7173 -0.0809 0.6920 -13.690 62.956 36.749 B 124 ALA B 64 ALA~? B 126 ARG B 65 ARG~? B 138 GLU B 85 GLU^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 9 3 RMSD = 1.40 A TRANSFORM 0.0596 -0.6881 0.7232 -0.3694 0.6578 0.6563 0.9274 0.3063 0.2150 80.462 -8.160 34.287 A 316 ALA B 88 ALA.? A 317 GLY B 87 GLY.? A 318 ASP B 109 ASP^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 5 3 RMSD = 1.40 A TRANSFORM 0.2070 0.5704 0.7949 0.3812 0.7012 -0.6025 0.9010 -0.4277 0.0723 16.403 -160.541 -129.790 A 420 ALA A 107 ALA^? B 182 GLY A 89 GLY.? B 183 GLY A 87 GLY.? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 5 3 RMSD = 1.40 A TRANSFORM 0.5276 0.5935 0.6078 -0.4731 0.7995 -0.3701 0.7056 0.0923 -0.7026 -14.378 -59.970 44.522 D 124 ALA B 64 ALA~? D 126 ARG B 65 ARG~? D 138 GLU B 85 GLU^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 11 3 RMSD = 1.40 A TRANSFORM -0.3133 0.4855 0.8162 0.9377 0.2940 0.1851 0.1501 -0.8233 0.5474 4.177 12.544 115.362 A 316 ALA B 102 ALA.? A 317 GLY B 80 GLY.? A 318 ASP B 103 ASP.? ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 2 3 RMSD = 1.40 A TRANSFORM -0.8203 -0.5609 0.1118 -0.5372 0.8228 0.1856 0.1961 -0.0922 0.9762 31.057 22.923 68.485 A 53 SER A 151 SER.? A 54 PRO A 152 PRO~? A 96 ASP A 153 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 8 3 RMSD = 1.40 A TRANSFORM 0.1391 0.7337 0.6651 0.8722 -0.4088 0.2686 -0.4690 -0.5428 0.6968 5.952 -17.189 15.523 B 250 ALA A 228 ALA.? B 251 GLY A 227 GLY.? B 252 ASP A 226 ASP~? ULMNm 3 1v0e_c00 ENDO-ALPHA-SIALIDASE user 4 3 RMSD = 1.40 A TRANSFORM 0.8222 0.5676 -0.0417 -0.1725 0.3183 0.9321 -0.5424 0.7592 -0.3597 49.745 37.029 -45.921 A 581 GLU B 232 GLU^? A 596 ARG B 263 ARG^? A 647 ARG B 265 ARG.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 26 3 RMSD = 1.40 A TRANSFORM -0.5558 -0.8311 -0.0206 0.3080 -0.1828 -0.9337 -0.7722 0.5252 -0.3575 97.736 7.605 -45.136 A 67 ASP B 196 ASP.? A 68 ALA B 191 ALA.? A 72 LEU B 190 LEU~? ULMNm 3 1v0e_c02 ENDO-ALPHA-SIALIDASE user 4 3 RMSD = 1.41 A TRANSFORM -0.9026 0.3905 0.1810 -0.0746 -0.5561 0.8277 -0.4239 -0.7337 -0.5311 -30.063 92.747 48.271 C 581 GLU B 232 GLU^? C 596 ARG B 263 ARG^? C 647 ARG B 265 ARG.? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 5 3 RMSD = 1.41 A TRANSFORM 0.1591 -0.9868 -0.0310 -0.7471 -0.0998 -0.6571 -0.6454 -0.1277 0.7531 53.100 -22.333 41.952 C 124 ALA B 64 ALA~? C 126 ARG B 65 ARG~? C 138 GLU B 85 GLU^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 10 3 RMSD = 1.41 A TRANSFORM 0.5076 0.7180 0.4763 0.3208 0.3556 -0.8779 0.7997 -0.5984 0.0498 16.397 -41.388 19.174 A 67 ASP A 180 ASP~? A 68 ALA A 181 ALA~? A 72 LEU A 182 LEU~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.42 A TRANSFORM -0.0767 -0.6966 0.7134 -0.9620 -0.1364 -0.2366 -0.2621 0.7044 0.6596 79.969 53.219 21.316 A 316 ALA A 88 ALA.? A 317 GLY A 87 GLY.? A 318 ASP A 109 ASP^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.42 A TRANSFORM 0.4688 0.8692 -0.1572 0.6728 -0.4667 -0.5740 0.5723 -0.1634 0.8036 73.145 10.928 0.841 A 316 ALA A 64 ALA~? A 317 GLY A 63 GLY~? A 318 ASP A 171 ASP.? ULMNm 3 3cla_c00 TYPE III CHLORAMPHENICOL ACETYLTRANSuser 3 3 RMSD = 1.42 A TRANSFORM -0.4946 -0.3347 0.8021 -0.5633 -0.5793 -0.5891 -0.6618 0.7432 -0.0979 51.373 -2.010 -34.304 18 ARG B 215 ARG~? 195 HIS B 207 HIS.? 199 ASP B 216 ASP~? ULMNm 3 2odj_o01 PORIN D user 5 3 RMSD = 1.42 A TRANSFORM -0.9255 0.0474 -0.3758 -0.3247 0.4120 0.8514 -0.1952 -0.9100 0.3659 -7.225 -18.533 142.997 B 156 HIS B 126 HIS.? B 208 ASP A 103 ASP.? B 296 SER A 121 SER~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 6 3 RMSD = 1.42 A TRANSFORM -0.7313 -0.1311 0.6694 0.3296 0.7913 0.5150 0.5972 -0.5972 0.5354 82.969 0.209 67.197 A 316 ALA A 225 ALA~? A 317 GLY A 227 GLY.? A 318 ASP A 226 ASP~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 6 3 RMSD = 1.42 A TRANSFORM 0.2012 -0.9796 0.0006 -0.5213 -0.1065 0.8467 0.8293 0.1707 0.5321 90.343 -68.655 -153.829 A 420 ALA A 107 ALA^? B 182 GLY A 89 GLY.? B 183 GLY A 91 GLY~? ULMNm 3 1v0e_c01 ENDO-ALPHA-SIALIDASE user 4 3 RMSD = 1.42 A TRANSFORM 0.0707 -0.9909 -0.1147 0.6340 -0.0442 0.7721 0.7701 0.1273 -0.6251 101.617 100.510 60.124 B 581 GLU B 232 GLU^? B 596 ARG B 263 ARG^? B 647 ARG B 265 ARG.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.42 A TRANSFORM -0.5626 0.7398 0.3689 -0.0594 0.4089 -0.9106 0.8246 0.5342 0.1861 9.985 -55.966 -61.128 A 250 ALA A 64 ALA~? A 251 GLY A 63 GLY~? A 252 ASP A 171 ASP.? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 5 3 RMSD = 1.42 A TRANSFORM 0.1735 -0.9845 -0.0255 0.7500 0.1153 0.6513 0.6383 0.1321 -0.7584 53.134 23.898 39.834 E 124 ALA B 64 ALA~? E 126 ARG B 65 ARG~? E 138 GLU B 85 GLU^? ULMNm 3 1v0e_c03 ENDO-ALPHA-SIALIDASE user 4 3 RMSD = 1.42 A TRANSFORM -0.8113 -0.5805 0.0693 0.3161 -0.5353 -0.7833 -0.4918 0.6136 -0.6178 -23.237 -0.347 -50.744 D 581 GLU B 232 GLU^? D 596 ARG B 263 ARG^? D 647 ARG B 265 ARG.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.42 A TRANSFORM 0.5817 -0.3577 0.7306 -0.5565 -0.8301 0.0367 -0.5933 0.4279 0.6819 49.677 45.882 -46.313 B 250 ALA A 79 ALA.? B 251 GLY A 80 GLY.? B 252 ASP A 103 ASP.? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 5 3 RMSD = 1.42 A TRANSFORM -0.7101 0.3754 -0.5956 -0.1630 -0.9107 -0.3796 0.6850 0.1725 -0.7079 -51.892 41.223 39.584 F 124 ALA B 64 ALA~? F 126 ARG B 65 ARG~? F 138 GLU B 85 GLU^? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.42 A TRANSFORM -0.4114 0.1050 0.9054 0.8100 0.4977 0.3103 0.4180 -0.8610 0.2898 24.043 -14.859 193.453 A 70 ALA A 68 ALA~? A 126 LEU A 67 LEU~? A 158 GLU A 85 GLU^? ULMNm 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 1 3 RMSD = 1.42 A TRANSFORM 0.6992 -0.7138 -0.0400 0.6032 0.6190 -0.5030 -0.3838 -0.3276 -0.8633 9.418 -57.827 50.675 54 ASP A 171 ASP.? 158 THR A 204 THR^? 317 ASP A 69 ASP~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 1 3 RMSD = 1.43 A TRANSFORM -0.6791 0.0803 0.7296 0.1833 0.9811 0.0625 0.7108 -0.1762 0.6810 36.844 -58.937 -11.275 14 ASP A 216 ASP.? 16 HIS A 176 HIS~? 67 GLY A 89 GLY.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.43 A TRANSFORM -0.0837 -0.2533 0.9637 0.8074 -0.5841 -0.0834 -0.5841 -0.7711 -0.2534 52.897 -18.172 13.086 B 250 ALA A 64 ALA~? B 251 GLY A 63 GLY~? B 252 ASP A 171 ASP.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.43 A TRANSFORM 0.8317 0.5449 -0.1067 -0.4160 0.4844 -0.7696 0.3677 -0.6844 -0.6295 -29.796 -62.635 17.456 A 250 ALA A 79 ALA.? A 251 GLY A 80 GLY.? A 252 ASP A 103 ASP.? ULMNm 3 1opm_c00 1.14.17.0003 user 1 3 RMSD = 1.43 A TRANSFORM 0.6294 0.0398 -0.7761 0.7752 -0.1009 0.6236 0.0535 0.9941 0.0944 16.648 72.521 -5.522 A 108 HIS B 207 HIS.? A 170 GLN B 256 GLN.? A 242 HIS B 211 HIS.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.44 A TRANSFORM -0.4175 0.9087 -0.0004 0.6117 0.2814 0.7394 -0.6720 -0.3084 0.6733 -0.167 -125.259 -80.631 A 420 ALA A 64 ALA~? B 182 GLY A 91 GLY~? B 183 GLY A 89 GLY.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 5 3 RMSD = 1.44 A TRANSFORM 0.6563 -0.6774 0.3323 0.1397 -0.3237 -0.9358 -0.7415 -0.6605 0.1178 50.925 16.776 107.112 A 316 ALA A 170 ALA^? A 317 GLY A 63 GLY~? A 318 ASP A 171 ASP.? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 2 3 RMSD = 1.44 A TRANSFORM -0.5726 0.6422 -0.5096 -0.3903 0.3332 0.8583 -0.7210 -0.6903 -0.0599 -79.281 57.758 65.033 C 137 ARG B 263 ARG^? C 141 THR B 198 THR.? C 235 ASP B 226 ASP~? ULMNm 3 1ddj_c13 PLASMINOGEN user 2 3 RMSD = 1.44 A TRANSFORM -0.5048 -0.7057 0.4971 -0.5095 0.7084 0.4884 0.6968 0.0068 0.7172 46.482 38.132 -34.514 B 603 HIS A 207 HIS.? B 646 ASP A 216 ASP.? B 739 GLY A 63 GLY~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 3 3 RMSD = 1.45 A TRANSFORM 0.8517 0.5190 -0.0728 0.5137 -0.7991 0.3123 -0.1039 0.3033 0.9472 -24.010 64.910 13.127 A 229 ALA A 68 ALA~? A 257 ALA A 66 ALA~? A 328 ASP A 171 ASP.? ULMNm 3 2odj_o01 PORIN D user 8 3 RMSD = 1.45 A TRANSFORM -0.3909 -0.6794 -0.6210 -0.9199 0.3118 0.2379 -0.0320 -0.6643 0.7468 10.203 -39.193 126.377 B 156 HIS B 179 HIS~? B 208 ASP B 171 ASP.? B 296 SER B 154 SER~? ULMNm 3 1lci_c00 LUCIFERASE user 5 3 RMSD = 1.46 A TRANSFORM -0.2070 -0.9456 0.2510 0.9036 -0.0864 0.4195 0.3750 -0.3136 -0.8724 63.385 119.047 35.990 218 ARG B 215 ARG~? 245 HIS B 258 HIS^? 343 THR B 206 THR^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 12 3 RMSD = 1.46 A TRANSFORM 0.5216 0.8495 -0.0799 0.8310 -0.5270 -0.1783 0.1936 -0.0266 0.9807 -9.185 -70.457 -108.515 A 420 ALA B 64 ALA~? B 182 GLY B 91 GLY~? B 183 GLY B 89 GLY.? ULMNm 3 1v0e_c04 ENDO-ALPHA-SIALIDASE user 4 3 RMSD = 1.47 A TRANSFORM 0.8973 -0.4134 -0.1550 0.2324 0.7407 -0.6303 -0.3754 -0.5295 -0.7607 56.699 -79.503 22.029 E 581 GLU B 232 GLU^? E 596 ARG B 263 ARG^? E 647 ARG B 265 ARG.? ULMNm 3 1aj8_c00 CITRATE SYNTHASE user 1 3 RMSD = 1.48 A TRANSFORM -0.5772 0.5363 -0.6158 -0.8164 -0.3626 0.4495 -0.0178 -0.7622 -0.6471 -20.466 59.532 85.547 A 223 HIS B 208 HIS.? A 262 HIS B 258 HIS^? A 312 ASP B 171 ASP.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 15 3 RMSD = 1.48 A TRANSFORM -0.5998 -0.7296 0.3287 0.5651 -0.0954 0.8195 0.5665 -0.6772 -0.4695 85.833 -80.119 -93.429 A 420 ALA B 107 ALA^? B 182 GLY B 89 GLY.? B 183 GLY B 91 GLY~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 14 3 RMSD = 1.48 A TRANSFORM 0.9812 -0.1928 0.0103 0.0996 0.4597 -0.8824 -0.1654 -0.8669 -0.4703 59.255 -141.986 -87.106 A 420 ALA B 107 ALA^? B 182 GLY B 89 GLY.? B 183 GLY B 87 GLY.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 21 3 RMSD = 1.48 A TRANSFORM -0.0162 0.8394 -0.5433 -0.9747 0.1078 0.1956 -0.2228 -0.5327 -0.8164 -13.578 -3.088 24.751 A 67 ASP B 171 ASP.? A 68 ALA B 64 ALA~? A 72 LEU B 67 LEU~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.49 A TRANSFORM 0.3458 -0.1181 -0.9309 -0.8411 -0.4787 -0.2517 0.4159 -0.8700 0.2649 119.060 60.312 54.147 A 316 ALA A 79 ALA.? A 317 GLY A 80 GLY.? A 318 ASP A 103 ASP.? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.49 A TRANSFORM 0.0225 -0.0729 -0.9971 0.9962 0.0850 0.0162 -0.0836 0.9937 -0.0745 -7.321 8.653 -53.789 A 603 HIS A 207 HIS.? A 646 ASP A 216 ASP.? A 739 GLY A 63 GLY~? ULMNm 3 1aj8_c01 CITRATE SYNTHASE user 1 3 RMSD = 1.49 A TRANSFORM -0.6844 -0.1066 -0.7213 0.6146 0.4480 -0.6493 -0.3924 0.8876 0.2411 0.189 -6.009 53.087 B 223 HIS B 208 HIS.? B 262 HIS B 258 HIS^? B 312 ASP B 171 ASP.? ULMNm 3 1v0e_c05 ENDO-ALPHA-SIALIDASE user 4 3 RMSD = 1.49 A TRANSFORM -0.0825 0.9910 0.1058 -0.8353 -0.0108 -0.5497 0.5436 0.1337 -0.8286 -77.701 -91.022 31.446 F 581 GLU B 232 GLU^? F 596 ARG B 263 ARG^? F 647 ARG B 265 ARG.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 23 3 RMSD = 1.50 A TRANSFORM -0.7979 0.5992 -0.0655 -0.5573 -0.6919 0.4591 -0.2297 -0.4028 -0.8860 3.673 50.290 15.813 A 67 ASP B 171 ASP.? A 68 ALA B 170 ALA^? A 72 LEU B 169 LEU^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 12 3 RMSD = 1.50 A TRANSFORM -0.5932 -0.8025 -0.0639 0.1080 -0.0006 -0.9942 -0.7978 0.5967 -0.0870 101.109 -31.385 -4.991 A 67 ASP A 196 ASP.? A 68 ALA A 191 ALA.? A 72 LEU A 192 LEU.?