*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 2 3 RMSD = 0.92 A TRANSFORM -0.1344 0.4790 0.8674 -0.0490 -0.8775 0.4770 -0.9897 -0.0217 -0.1414 54.523 87.582 40.202 229 ASP A 201 ASP.? 264 GLU A 85 GLU^? 328 ASP A 199 ASP~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 16 3 RMSD = 0.93 A TRANSFORM -0.6341 -0.7167 0.2902 -0.3930 -0.0245 -0.9192 -0.6659 0.6969 0.2661 77.910 -5.682 -25.436 A 37 ASP B 199 ASP~? A 56 ILE B 133 ILE^? A 82 TYR B 135 TYR^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 17 3 RMSD = 0.93 A TRANSFORM -0.6360 -0.7128 0.2958 -0.3759 -0.0486 -0.9254 -0.6740 0.6997 0.2370 80.675 -21.355 -53.248 B 37 ASP B 199 ASP~? B 56 ILE B 133 ILE^? B 82 TYR B 135 TYR^? ULMNm 3 1myr_c00 MYROSINASE user 1 3 RMSD = 1.04 A TRANSFORM -0.5682 0.5767 -0.5870 0.5092 0.8068 0.2996 -0.6464 0.1287 0.7521 47.965 119.351 50.588 187 GLN A 139 GLN.? 328 ASN A 136 ASN.? 409 GLU A 85 GLU^? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 8 3 RMSD = 1.06 A TRANSFORM 0.5609 0.7122 -0.4222 -0.6256 0.0306 -0.7795 0.5422 -0.7014 -0.4627 59.260 -5.735 -11.997 A 37 ASP A 199 ASP~? A 56 ILE A 133 ILE^? A 82 TYR A 135 TYR^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 8 3 RMSD = 1.06 A TRANSFORM 0.5670 0.7075 -0.4218 -0.6390 0.0547 -0.7672 0.5197 -0.7046 -0.4831 62.092 -21.896 -39.719 B 37 ASP A 199 ASP~? B 56 ILE A 133 ILE^? B 82 TYR A 135 TYR^? ULMNm 3 1req_c10 METHYLMALONYL-COA MUTASE user 3 3 RMSD = 1.11 A TRANSFORM 0.4686 -0.8569 0.2147 0.2411 0.3579 0.9021 0.8499 0.3709 -0.3743 55.196 82.446 -4.412 A 608 ASP A 162 ASP.? A 610 HIS A 102 HIS^? A 661 HIS A 106 HIS^? ULMNm 3 1req_c10 METHYLMALONYL-COA MUTASE user 6 3 RMSD = 1.11 A TRANSFORM -0.0647 0.8551 0.5145 0.6898 -0.3342 0.6422 -0.7211 -0.3965 0.5682 36.637 89.163 8.014 A 608 ASP B 162 ASP.? A 610 HIS B 102 HIS^? A 661 HIS B 106 HIS^? ULMNm 3 1req_c11 METHYLMALONYL-COA MUTASE user 3 3 RMSD = 1.11 A TRANSFORM 0.5353 0.7255 -0.4325 -0.2340 -0.3646 -0.9013 0.8116 -0.5836 0.0254 -13.542 79.444 36.710 C 608 ASP A 162 ASP.? C 610 HIS A 102 HIS^? C 661 HIS A 106 HIS^? ULMNm 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 4 3 RMSD = 1.12 A TRANSFORM -0.3897 -0.2634 0.8825 -0.7606 0.6324 -0.1471 0.5193 0.7285 0.4468 21.887 70.721 0.591 313 ASP B 107 ASP^? 315 GLU B 129 GLU^? 390 TYR B 197 TYR~? ULMNm 3 1req_c11 METHYLMALONYL-COA MUTASE user 6 3 RMSD = 1.13 A TRANSFORM -0.6096 -0.7475 0.2638 -0.6927 0.3405 -0.6358 -0.3854 0.5703 0.7254 6.072 72.610 26.098 C 608 ASP B 162 ASP.? C 610 HIS B 102 HIS^? C 661 HIS B 106 HIS^? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 4 3 RMSD = 1.15 A TRANSFORM 0.7902 -0.4954 0.3608 0.4496 0.8686 0.2082 0.4166 0.0023 -0.9091 63.929 66.945 38.109 229 ASP B 201 ASP.? 264 GLU B 85 GLU.? 328 ASP B 199 ASP~? ULMNm 3 1itx_c00 GLYCOSYL HYDROLASE user 2 3 RMSD = 1.25 A TRANSFORM -0.2246 0.8176 -0.5301 -0.2978 -0.5756 -0.7616 0.9278 0.0132 -0.3728 11.080 1.857 6.156 A 202 ASP A 107 ASP^? A 204 GLU A 129 GLU^? A 279 TYR A 197 TYR~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 7 3 RMSD = 1.25 A TRANSFORM 0.6648 -0.7202 0.1984 0.7220 0.5514 -0.4178 -0.1915 -0.4210 -0.8866 35.479 15.785 93.821 A 241 ASP B 138 ASP.? A 265 GLU B 144 GLU^? A 369 ASP B 199 ASP~? ULMNm 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 2 3 RMSD = 1.27 A TRANSFORM 0.9616 0.2560 0.0991 0.2419 -0.6194 -0.7468 0.1298 -0.7421 0.6576 13.241 82.993 17.889 313 ASP A 107 ASP^? 315 GLU A 129 GLU^? 390 TYR A 197 TYR~? ULMNm 3 1gim_c00 ADENYLOSUCCINATE SYNTHETASE user 1 3 RMSD = 1.29 A TRANSFORM 0.4149 0.0294 -0.9094 -0.7989 -0.4666 -0.3796 0.4355 -0.8840 0.1701 -10.641 46.055 45.375 13 ASP A 199 ASP~? 41 HIS A 229 HIS^? 224 GLN A 139 GLN.? ULMNm 3 1mpy_c03 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 1.30 A TRANSFORM 0.2016 0.7555 0.6233 -0.9772 0.1981 0.0759 0.0661 0.6244 -0.7783 48.240 20.300 5.915 D 199 HIS A 101 HIS.? D 246 HIS A 167 HIS~? D 255 TYR A 222 TYR^? ULMNm 3 1mpy_c03 CATECHOL 2,3-DIOXYGENASE user 4 3 RMSD = 1.30 A TRANSFORM 0.4622 -0.7548 0.4655 0.5383 -0.1783 -0.8237 -0.7047 -0.6313 -0.3239 65.258 21.406 21.963 D 199 HIS B 101 HIS.? D 246 HIS B 167 HIS~? D 255 TYR B 222 TYR^? ULMNm 3 1gim_c00 ADENYLOSUCCINATE SYNTHETASE user 3 3 RMSD = 1.30 A TRANSFORM -0.9969 -0.0349 -0.0701 0.0457 0.4675 -0.8828 -0.0635 0.8833 0.4645 -7.156 33.752 26.322 13 ASP B 199 ASP~? 41 HIS B 229 HIS^? 224 GLN B 139 GLN.? ULMNm 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.30 A TRANSFORM -0.5083 -0.5973 -0.6204 0.0041 0.7187 -0.6953 -0.8612 0.3560 0.3628 127.391 4.893 112.753 L 98 SER A 105 SER^? L 123 HIS A 106 HIS^? L 172 ASP A 157 ASP~? ULMNm 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 1 3 RMSD = 1.30 A TRANSFORM 0.2950 0.9486 0.1147 -0.9339 0.3116 -0.1753 0.2020 0.0554 -0.9778 12.743 4.772 60.231 A 263 HIS A 106 HIS^? D 59 GLU A 193 GLU~? D 128 HIS A 102 HIS^? ULMNm 3 1mpy_c02 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 1.30 A TRANSFORM -0.5691 -0.6701 -0.4765 -0.7914 0.2892 0.5386 0.2231 -0.6836 0.6949 93.085 7.250 -14.242 C 199 HIS A 101 HIS.? C 246 HIS A 167 HIS~? C 255 TYR A 222 TYR^? ULMNm 3 1mpy_c02 CATECHOL 2,3-DIOXYGENASE user 5 3 RMSD = 1.31 A TRANSFORM -0.1560 0.6776 -0.7187 0.8565 -0.2696 -0.4401 0.4920 0.6842 0.5383 76.525 10.263 -30.521 C 199 HIS B 101 HIS.? C 246 HIS B 167 HIS~? C 255 TYR B 222 TYR^? ULMNm 3 3qwd_o05 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.31 A TRANSFORM 0.2302 0.6482 -0.7259 0.2647 0.6761 0.6876 -0.9365 0.3504 0.0159 14.722 74.717 51.412 F 98 SER A 105 SER^? F 123 HIS A 106 HIS^? F 172 ASP A 157 ASP~? ULMNm 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.31 A TRANSFORM 0.3512 0.2873 0.8911 -0.5843 -0.6764 0.4484 -0.7316 0.6782 0.0697 157.326 64.055 97.284 H 98 SER A 105 SER^? H 123 HIS A 106 HIS^? H 172 ASP A 157 ASP~? ULMNm 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.31 A TRANSFORM 0.3044 0.7515 -0.5854 0.2194 0.5427 0.8108 -0.9269 0.3752 -0.0003 104.056 52.869 100.852 J 98 SER A 105 SER^? J 123 HIS A 106 HIS^? J 172 ASP A 157 ASP~? ULMNm 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.31 A TRANSFORM -0.1176 -0.4537 0.8834 -0.7122 -0.5814 -0.3934 -0.6921 0.6754 0.2547 170.619 37.617 103.674 N 98 SER A 105 SER^? N 123 HIS A 106 HIS^? N 172 ASP A 157 ASP~? ULMNm 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.31 A TRANSFORM 0.5399 0.8374 0.0854 -0.0997 -0.0371 0.9943 -0.8358 0.5454 -0.0635 34.818 96.601 45.910 E 98 SER A 105 SER^? E 123 HIS A 106 HIS^? E 172 ASP A 157 ASP~? ULMNm 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.31 A TRANSFORM 0.4404 0.4135 0.7969 -0.5058 -0.6190 0.6008 -0.7417 0.6677 0.0634 65.115 94.657 47.032 D 98 SER A 105 SER^? D 123 HIS A 106 HIS^? D 172 ASP A 157 ASP~? ULMNm 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.31 A TRANSFORM -0.3985 -0.8406 0.3670 -0.5331 -0.1133 -0.8384 -0.7463 0.5297 0.4030 74.322 42.852 60.168 B 98 SER A 105 SER^? B 123 HIS A 106 HIS^? B 172 ASP A 157 ASP~? ULMNm 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.32 A TRANSFORM 0.5178 0.8228 0.2342 -0.1834 -0.1606 0.9698 -0.8356 0.5451 -0.0678 127.976 70.938 95.794 I 98 SER A 105 SER^? I 123 HIS A 106 HIS^? I 172 ASP A 157 ASP~? ULMNm 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 1 3 RMSD = 1.32 A TRANSFORM -0.0165 -0.9282 -0.3717 0.0163 -0.3720 0.9281 0.9997 -0.0093 -0.0212 0.334 13.584 69.911 B 59 GLU A 193 GLU~? B 128 HIS A 102 HIS^? C 263 HIS A 106 HIS^? ULMNm 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.32 A TRANSFORM 0.0158 -0.3403 0.9402 -0.7296 -0.6469 -0.2219 -0.6837 0.6825 0.2585 82.711 71.280 53.209 C 98 SER A 105 SER^? C 123 HIS A 106 HIS^? C 172 ASP A 157 ASP~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 11 3 RMSD = 1.32 A TRANSFORM -0.8603 0.1119 0.4974 -0.5047 -0.0497 -0.8618 0.0717 0.9925 -0.0992 8.255 27.360 58.320 A 241 ASP B 201 ASP.? A 265 GLU B 208 GLU^? A 369 ASP B 199 ASP~? ULMNm 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.32 A TRANSFORM -0.2360 -0.0451 -0.9707 0.2388 0.9656 -0.1029 -0.9420 0.2561 0.2171 20.103 46.069 58.916 G 98 SER A 105 SER^? G 123 HIS A 106 HIS^? G 172 ASP A 157 ASP~? ULMNm 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.32 A TRANSFORM -0.4910 -0.8440 0.2159 -0.4572 0.0386 -0.8885 -0.7415 0.5350 0.4048 157.321 11.350 110.568 M 98 SER A 105 SER^? M 123 HIS A 106 HIS^? M 172 ASP A 157 ASP~? ULMNm 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.32 A TRANSFORM -0.1794 0.1314 -0.9750 0.2872 0.9549 0.0759 -0.9409 0.2664 0.2090 104.090 23.681 108.496 K 98 SER A 105 SER^? K 123 HIS A 106 HIS^? K 172 ASP A 157 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.33 A TRANSFORM -0.8906 -0.2279 0.3935 0.1620 0.6496 0.7428 0.4249 -0.7253 0.5417 35.829 27.296 47.890 A 316 ALA A 190 ALA.? A 317 GLY A 203 GLY.? A 318 ASP A 204 ASP.? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.33 A TRANSFORM -0.5328 -0.7158 -0.4513 -0.0791 0.5731 -0.8156 -0.8425 0.3989 0.3620 46.979 30.999 62.672 A 98 SER A 105 SER^? A 123 HIS A 106 HIS^? A 172 ASP A 157 ASP~? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.33 A TRANSFORM -0.5328 -0.7158 -0.4513 -0.0791 0.5731 -0.8156 -0.8425 0.3989 0.3620 46.979 30.999 62.672 A 98 SER A 105 SER^? A 123 HIS A 106 HIS^? A 172 ASP A 157 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.33 A TRANSFORM 0.7584 0.2319 -0.6092 0.5943 -0.6300 0.5000 0.2678 0.7412 0.6156 27.179 40.993 31.384 A 316 ALA B 190 ALA.? A 317 GLY B 203 GLY.? A 318 ASP B 204 ASP.? ULMNm 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.34 A TRANSFORM -0.2718 0.6055 -0.7480 -0.6182 -0.7055 -0.3465 0.7375 -0.3683 -0.5661 113.547 22.020 117.928 L 98 SER B 105 SER^? L 123 HIS B 106 HIS^? L 172 ASP B 157 ASP~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 5 3 RMSD = 1.34 A TRANSFORM 0.8454 -0.1161 -0.5214 -0.5198 0.0460 -0.8530 -0.1231 -0.9922 0.0215 7.433 26.357 81.279 A 241 ASP A 201 ASP.? A 265 GLU A 208 GLU^? A 369 ASP A 199 ASP~? ULMNm 3 3qwd_o05 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.35 A TRANSFORM -0.7564 -0.6327 -0.1656 0.4499 -0.6872 0.5704 0.4747 -0.3569 -0.8045 30.900 89.583 56.768 F 98 SER B 105 SER^? F 123 HIS B 106 HIS^? F 172 ASP B 157 ASP~? ULMNm 3 1mpy_c01 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 1.35 A TRANSFORM 0.6249 0.5741 0.5291 0.7794 -0.4970 -0.3813 -0.0441 -0.6507 0.7580 47.416 18.710 -14.767 B 199 HIS A 101 HIS.? B 246 HIS A 167 HIS~? B 255 TYR A 222 TYR^? ULMNm 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.35 A TRANSFORM 0.5902 -0.3024 0.7485 0.6943 0.6632 -0.2795 0.4119 -0.6846 -0.6014 163.431 46.732 110.456 H 98 SER B 105 SER^? H 123 HIS B 106 HIS^? H 172 ASP B 157 ASP~? ULMNm 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.35 A TRANSFORM -0.6740 -0.7381 -0.0316 0.5817 -0.5566 0.5931 0.4554 -0.3814 -0.8045 122.540 64.454 106.813 J 98 SER B 105 SER^? J 123 HIS B 106 HIS^? J 172 ASP B 157 ASP~? ULMNm 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.35 A TRANSFORM 0.5340 0.8305 -0.1586 -0.4574 0.1259 -0.8803 0.7111 -0.5426 -0.4471 53.916 40.098 69.499 B 98 SER B 105 SER^? B 123 HIS B 106 HIS^? B 172 ASP B 157 ASP~? ULMNm 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.35 A TRANSFORM 0.8333 0.4348 0.3413 0.0276 0.5840 -0.8113 0.5521 -0.6854 -0.4747 158.913 23.276 116.631 N 98 SER B 105 SER^? N 123 HIS B 106 HIS^? N 172 ASP B 157 ASP~? ULMNm 3 1mpy_c01 CATECHOL 2,3-DIOXYGENASE user 4 3 RMSD = 1.35 A TRANSFORM 0.1738 -0.5822 0.7942 -0.7162 0.4788 0.5078 0.6759 0.6571 0.3338 61.851 10.574 -31.310 B 199 HIS B 101 HIS.? B 246 HIS B 167 HIS~? B 255 TYR B 222 TYR^? ULMNm 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.35 A TRANSFORM -0.2127 -0.8352 0.5072 0.9117 0.0172 0.4105 0.3516 -0.5497 -0.7578 54.888 94.092 56.016 E 98 SER B 105 SER^? E 123 HIS B 106 HIS^? E 172 ASP B 157 ASP~? ULMNm 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.35 A TRANSFORM -0.0732 -0.8236 0.5624 0.9348 0.1398 0.3264 0.3474 -0.5496 -0.7597 147.441 65.499 105.906 I 98 SER B 105 SER^? I 123 HIS B 106 HIS^? I 172 ASP B 157 ASP~? ULMNm 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.35 A TRANSFORM 0.4627 -0.4249 0.7781 0.7845 0.6050 -0.1361 0.4129 -0.6733 -0.6133 74.392 78.549 59.942 D 98 SER B 105 SER^? D 123 HIS B 106 HIS^? D 172 ASP B 157 ASP~? ULMNm 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.35 A TRANSFORM 0.8133 0.3216 0.4848 0.1860 0.6459 -0.7404 0.5513 -0.6923 -0.4656 73.807 55.182 66.338 C 98 SER B 105 SER^? C 123 HIS B 106 HIS^? C 172 ASP B 157 ASP~? ULMNm 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.35 A TRANSFORM 0.4501 0.8359 -0.3141 -0.5417 -0.0240 -0.8402 0.7099 -0.5483 -0.4420 136.821 12.259 120.037 M 98 SER B 105 SER^? M 123 HIS B 106 HIS^? M 172 ASP B 157 ASP~? ULMNm 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.35 A TRANSFORM -0.7219 0.0617 -0.6892 -0.2273 -0.9619 0.1519 0.6536 -0.2664 -0.7084 19.865 68.494 61.852 G 98 SER B 105 SER^? G 123 HIS B 106 HIS^? G 172 ASP B 157 ASP~? ULMNm 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.36 A TRANSFORM -0.7574 -0.1135 -0.6431 -0.0973 -0.9542 0.2830 0.6457 -0.2769 -0.7116 107.942 45.728 111.689 K 98 SER B 105 SER^? K 123 HIS B 106 HIS^? K 172 ASP B 157 ASP~? ULMNm 3 1gz6_c00 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 2 3 RMSD = 1.36 A TRANSFORM 0.0974 0.9396 -0.3282 -0.8748 0.2381 0.4220 -0.4747 -0.2460 -0.8451 17.176 38.659 65.150 A 151 SER B 224 SER^? A 164 TYR B 222 TYR^? A 168 LYS B 211 LYS^? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 8 3 RMSD = 1.36 A TRANSFORM -0.7278 0.4646 0.5044 -0.5878 -0.0437 -0.8078 0.3533 0.8844 -0.3049 -2.037 32.835 54.342 A 241 ASP B 199 ASP~? A 265 GLU B 144 GLU^? A 369 ASP B 138 ASP.? ULMNm 3 1gz6_c03 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 2 3 RMSD = 1.36 A TRANSFORM 0.0261 0.8901 -0.4549 0.8752 -0.2402 -0.4199 0.4830 0.3872 0.7853 16.599 46.651 74.601 D 151 SER B 224 SER^? D 164 TYR B 222 TYR^? D 168 LYS B 211 LYS^? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.36 A TRANSFORM -0.1080 0.7212 -0.6843 -0.6797 -0.5559 -0.4786 0.7255 -0.4134 -0.5502 30.184 44.726 68.918 A 98 SER B 105 SER^? A 123 HIS B 106 HIS^? A 172 ASP B 157 ASP~? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.36 A TRANSFORM -0.1080 0.7212 -0.6843 -0.6797 -0.5559 -0.4786 0.7255 -0.4134 -0.5502 30.184 44.726 68.918 A 98 SER B 105 SER^? A 123 HIS B 106 HIS^? A 172 ASP B 157 ASP~? ULMNm 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 3 3 RMSD = 1.37 A TRANSFORM -0.0243 -0.9505 0.3098 0.2885 -0.3034 -0.9081 -0.9572 -0.0673 -0.2816 35.076 9.138 63.789 A 263 HIS B 106 HIS^? D 59 GLU B 193 GLU~? D 128 HIS B 102 HIS^? ULMNm 3 1gz6_c00 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 1 3 RMSD = 1.37 A TRANSFORM -0.3211 -0.9430 -0.0879 0.8037 -0.2222 -0.5520 -0.5010 0.2479 -0.8292 39.152 40.373 59.397 A 151 SER A 224 SER^? A 164 TYR A 222 TYR^? A 168 LYS A 211 LYS^? ULMNm 3 1gz6_c03 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 1 3 RMSD = 1.37 A TRANSFORM -0.3963 -0.8932 -0.2123 -0.8021 0.2243 0.5534 0.4467 -0.3896 0.8054 37.429 44.889 83.655 D 151 SER A 224 SER^? D 164 TYR A 222 TYR^? D 168 LYS A 211 LYS^? ULMNm 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 3 3 RMSD = 1.38 A TRANSFORM -0.3331 0.9246 -0.1850 0.8064 0.3810 0.4522 -0.4886 -0.0014 0.8725 -20.201 3.616 72.959 B 59 GLU B 193 GLU~? B 128 HIS B 102 HIS^? C 263 HIS B 106 HIS^? ULMNm 3 1gz6_c01 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 1 3 RMSD = 1.38 A TRANSFORM 0.0353 0.8543 -0.5187 -0.9557 0.1806 0.2325 -0.2923 -0.4875 -0.8228 12.732 66.318 64.155 B 151 SER A 224 SER^? B 164 TYR A 222 TYR^? B 168 LYS A 211 LYS^? ULMNm 3 1ybv_c00 TRIHYDROXYNAPHTHALENE REDUCTASE user 4 3 RMSD = 1.38 A TRANSFORM 0.6674 -0.0259 0.7442 0.3459 0.8958 -0.2791 0.6594 -0.4437 -0.6068 73.433 -3.285 41.479 A 164 SER B 224 SER^? A 178 TYR B 222 TYR^? A 182 LYS B 211 LYS^? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.39 A TRANSFORM 0.9417 -0.3082 0.1354 0.2347 0.8894 0.3922 0.2413 0.3376 -0.9099 77.100 16.706 65.405 C1050 GLN B 120 GLN~? C1091 LEU B 119 LEU~? C1133 GLU B 117 GLU~? ULMNm 3 1ybv_c01 TRIHYDROXYNAPHTHALENE REDUCTASE user 4 3 RMSD = 1.39 A TRANSFORM -0.6648 0.0195 -0.7468 0.7434 0.1152 -0.6588 -0.0732 0.9932 0.0911 69.424 12.693 12.186 B 164 SER B 224 SER^? B 178 TYR B 222 TYR^? B 182 LYS B 211 LYS^? ULMNm 3 1mpy_c00 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 1.39 A TRANSFORM -0.2025 -0.7124 -0.6719 0.9508 0.0213 -0.3092 -0.2346 0.7015 -0.6730 94.688 10.969 5.987 A 199 HIS A 101 HIS.? A 246 HIS A 167 HIS~? A 255 TYR A 222 TYR^? ULMNm 3 1gz6_c01 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 2 3 RMSD = 1.39 A TRANSFORM -0.4798 -0.8489 -0.2216 0.6738 -0.1947 -0.7128 -0.5620 0.4913 -0.6654 33.068 67.262 53.925 B 151 SER B 224 SER^? B 164 TYR B 222 TYR^? B 168 LYS B 211 LYS^? ULMNm 3 3nwu_o01 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.39 A TRANSFORM 0.7471 0.5511 -0.3718 0.2892 0.2341 0.9282 -0.5985 0.8009 -0.0155 -62.805 66.408 -0.670 B 220 HIS A 102 HIS^? B 250 ASP A 162 ASP.? B 328 SER A 105 SER^? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.39 A TRANSFORM 0.4498 -0.5307 -0.7183 -0.8834 -0.1462 -0.4452 -0.1312 -0.8348 0.5346 -80.382 41.048 43.534 F 49 ASP A 218 ASP~? F 86 HIS A 180 HIS^? F 250 ALA A 213 ALA^? ULMNm 3 1gz6_c02 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 1 3 RMSD = 1.39 A TRANSFORM -0.0145 0.7638 -0.6453 0.9556 -0.1794 -0.2339 0.2944 0.6200 0.7273 12.147 18.998 74.892 C 151 SER A 224 SER^? C 164 TYR A 222 TYR^? C 168 LYS A 211 LYS^? ULMNm 3 1mpy_c00 CATECHOL 2,3-DIOXYGENASE user 4 3 RMSD = 1.39 A TRANSFORM -0.5039 0.7108 -0.4908 -0.7273 -0.0426 0.6850 -0.4660 -0.7021 -0.5384 78.773 15.277 22.614 A 199 HIS B 101 HIS.? A 246 HIS B 167 HIS~? A 255 TYR B 222 TYR^? ULMNm 3 3nwu_o00 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.40 A TRANSFORM 0.2892 0.3086 0.9062 0.7001 -0.7138 0.0197 -0.6528 -0.6287 0.4225 -29.062 25.704 -9.167 A 220 HIS A 102 HIS^? A 250 ASP A 162 ASP.? A 328 SER A 105 SER^? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.40 A TRANSFORM 0.4272 -0.8832 -0.1937 0.8919 0.3765 0.2505 0.1484 0.2798 -0.9485 62.426 41.521 89.806 A 50 GLN B 120 GLN~? A 91 LEU B 119 LEU~? A 133 GLU B 117 GLU~? ULMNm 3 1ybv_c00 TRIHYDROXYNAPHTHALENE REDUCTASE user 2 3 RMSD = 1.40 A TRANSFORM 0.3171 0.0259 0.9480 -0.4032 -0.9011 0.1594 -0.8584 0.4328 0.2753 73.831 18.440 34.687 A 164 SER A 224 SER^? A 178 TYR A 222 TYR^? A 182 LYS A 211 LYS^? ULMNm 3 1ybv_c01 TRIHYDROXYNAPHTHALENE REDUCTASE user 2 3 RMSD = 1.40 A TRANSFORM -0.3207 -0.0196 -0.9470 -0.9387 -0.1273 0.3205 0.1268 -0.9917 -0.0224 68.895 18.820 34.104 B 164 SER A 224 SER^? B 178 TYR A 222 TYR^? B 182 LYS A 211 LYS^? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.40 A TRANSFORM -0.7846 -0.4325 -0.4443 -0.5715 0.7822 0.2479 -0.2403 -0.4484 0.8609 96.931 23.815 37.310 B 550 GLN B 120 GLN~? B 591 LEU B 119 LEU~? B 633 GLU B 117 GLU~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 4 3 RMSD = 1.40 A TRANSFORM -0.2951 0.5624 0.7724 -0.4878 -0.7838 0.3844 -0.8216 0.2634 -0.5056 19.341 35.618 78.632 A 241 ASP A 199 ASP~? A 265 GLU A 208 GLU^? A 369 ASP A 201 ASP.? ULMNm 3 1gz6_c02 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 2 3 RMSD = 1.40 A TRANSFORM -0.5638 -0.7578 -0.3284 -0.6750 0.1937 0.7120 0.4759 -0.6231 0.6207 30.546 18.080 88.298 C 151 SER B 224 SER^? C 164 TYR B 222 TYR^? C 168 LYS B 211 LYS^? ULMNm 3 3nwu_o02 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.41 A TRANSFORM 0.6855 -0.7205 0.1048 0.7109 0.6312 -0.3102 -0.1574 -0.2872 -0.9449 -68.323 36.185 -44.337 C 220 HIS A 102 HIS^? C 250 ASP A 162 ASP.? C 328 SER A 105 SER^? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 1.41 A TRANSFORM -0.8604 0.5086 0.0330 0.0570 0.1604 -0.9854 0.5064 0.8459 0.1670 -89.088 35.633 22.416 F 49 ASP B 218 ASP~? F 86 HIS B 180 HIS^? F 250 ALA B 213 ALA^? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 10 3 RMSD = 1.41 A TRANSFORM 0.8210 -0.5613 0.1047 0.5680 0.7843 -0.2495 -0.0580 -0.2643 -0.9627 29.928 15.719 83.030 A 241 ASP B 199 ASP~? A 265 GLU B 208 GLU^? A 369 ASP B 201 ASP.? ULMNm 3 3nwu_o01 SERINE PROTEASE HTRA1 user 2 3 RMSD = 1.42 A TRANSFORM -0.6690 -0.5687 0.4786 0.6804 -0.2093 0.7023 0.2993 -0.7955 -0.5270 -46.839 70.252 15.767 B 220 HIS B 102 HIS^? B 250 ASP B 162 ASP.? B 328 SER B 105 SER^? ULMNm 3 3nwu_o00 SERINE PROTEASE HTRA1 user 2 3 RMSD = 1.42 A TRANSFORM 0.6633 -0.2844 0.6922 -0.3419 0.7075 0.6184 0.6656 0.6469 -0.3721 -23.456 11.574 -26.737 A 220 HIS B 102 HIS^? A 250 ASP B 162 ASP.? A 328 SER B 105 SER^? ULMNm 3 3nwu_o02 SERINE PROTEASE HTRA1 user 2 3 RMSD = 1.43 A TRANSFORM -0.2606 0.7168 0.6468 -0.5952 -0.6468 0.4769 -0.7602 0.2606 -0.5952 -82.873 53.710 -48.929 C 220 HIS B 102 HIS^? C 250 ASP B 162 ASP.? C 328 SER B 105 SER^? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.44 A TRANSFORM -0.7859 -0.5664 -0.2480 0.4726 -0.2917 -0.8316 -0.3986 0.7708 -0.4969 43.470 82.840 68.107 A 50 GLN B 120 GLN~? A 91 LEU B 119 LEU~? A 133 GLU B 117 GLU~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.44 A TRANSFORM 0.9427 0.1451 0.3005 -0.2919 0.7950 0.5318 0.1618 0.5890 -0.7918 25.881 -12.681 -14.713 A 250 ALA A 190 ALA.? A 251 GLY A 203 GLY.? A 252 ASP A 201 ASP.? ULMNm 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 5 3 RMSD = 1.44 A TRANSFORM -0.5878 -0.5931 -0.5502 -0.2854 0.7884 -0.5450 -0.7570 0.1632 0.6327 129.490 26.496 91.053 K 98 SER B 239 SER.? K 123 HIS A 180 HIS^? K 172 ASP A 218 ASP~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 2 3 RMSD = 1.44 A TRANSFORM 0.9044 0.4204 0.0726 0.1695 -0.5103 0.8431 -0.3915 0.7503 0.5328 20.499 89.561 6.372 A 228 ASP B 199 ASP~? A 261 ASP B 162 ASP.? A 329 ASP B 138 ASP.? ULMNm 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.44 A TRANSFORM -0.2860 -0.9356 0.2072 -0.6634 0.0373 -0.7473 -0.6915 0.3511 0.6313 137.404 25.633 92.250 L 98 SER B 239 SER.? L 123 HIS A 180 HIS^? L 172 ASP A 218 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.45 A TRANSFORM 0.8375 -0.5008 0.2186 -0.3956 -0.8316 -0.3897 -0.3769 -0.2399 0.8946 42.942 28.861 16.300 A 229 ALA A 205 ALA^? A 257 ALA A 190 ALA.? A 328 ASP A 201 ASP.? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.45 A TRANSFORM -0.1766 -0.9161 0.3601 -0.6967 -0.1420 -0.7031 -0.6952 0.3750 0.6132 52.151 53.745 42.264 A 98 SER B 239 SER.? A 123 HIS A 180 HIS^? A 172 ASP A 218 ASP~? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.45 A TRANSFORM -0.1766 -0.9161 0.3601 -0.6967 -0.1420 -0.7031 -0.6952 0.3750 0.6132 52.151 53.745 42.264 A 98 SER B 239 SER.? A 123 HIS A 180 HIS^? A 172 ASP A 218 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.45 A TRANSFORM 0.2014 -0.8260 -0.5265 -0.4305 -0.5575 0.7098 0.8798 -0.0837 0.4679 0.644 7.202 4.208 141 ASP A 199 ASP~? 166 GLY A 83 GLY.? 169 GLU B 208 GLU^? ULMNm 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 5 3 RMSD = 1.45 A TRANSFORM 0.1884 -0.5500 0.8136 -0.7073 -0.6507 -0.2761 -0.6813 0.5235 0.5116 143.880 30.678 90.494 M 98 SER B 239 SER.? M 123 HIS A 180 HIS^? M 172 ASP A 218 ASP~? ULMNm 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 1 3 RMSD = 1.46 A TRANSFORM -0.3276 0.8718 0.3642 -0.9223 -0.3788 0.0772 -0.2052 0.3107 -0.9281 42.767 64.434 59.504 10 ASN A 181 ASN^? 20 HIS A 180 HIS^? 93 ASP A 218 ASP~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 5 3 RMSD = 1.46 A TRANSFORM 0.4996 -0.8149 0.2938 -0.5074 -0.5501 -0.6632 -0.7021 -0.1822 0.6884 50.669 89.829 13.125 B 194 SER B 224 SER^? B 292 ASP B 199 ASP~? B 322 HIS B 180 HIS^? ULMNm 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.46 A TRANSFORM 0.4513 0.8672 0.2104 0.1206 -0.2929 0.9485 -0.8842 0.4027 0.2367 136.998 43.105 86.939 H 98 SER B 239 SER.? H 123 HIS A 180 HIS^? H 172 ASP A 218 ASP~? ULMNm 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.46 A TRANSFORM 0.5697 0.3887 0.7241 -0.2671 -0.7456 0.6105 -0.7772 0.5412 0.3210 55.926 67.425 38.171 C 98 SER B 239 SER.? C 123 HIS A 180 HIS^? C 172 ASP A 218 ASP~? ULMNm 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.46 A TRANSFORM 0.0196 0.8413 -0.5402 0.3348 0.5036 0.7964 -0.9421 0.1964 0.2719 129.058 41.048 87.875 I 98 SER B 239 SER.? I 123 HIS A 180 HIS^? I 172 ASP A 218 ASP~? ULMNm 3 1cns_c00 CHITINASE user 4 3 RMSD = 1.46 A TRANSFORM -0.6451 0.7274 -0.2342 0.1290 -0.1984 -0.9716 0.7532 0.6570 -0.0341 -18.034 -1.700 60.577 A 67 GLU A 193 GLU~? A 89 GLU A 129 GLU^? A 120 SER A 105 SER^? ULMNm 3 1eq2_c06 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 RMSD = 1.47 A TRANSFORM -0.5557 0.2243 -0.8006 0.5484 -0.6248 -0.5557 0.6248 0.7479 -0.2242 81.190 118.511 10.715 G 116 SER B 224 SER^? G 140 TYR B 222 TYR^? G 144 LYS B 211 LYS^? ULMNm 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.47 A TRANSFORM -0.4186 0.1939 -0.8872 0.1790 0.9754 0.1287 -0.8903 0.1049 0.4430 125.507 33.654 89.693 J 98 SER B 239 SER.? J 123 HIS A 180 HIS^? J 172 ASP A 218 ASP~? ULMNm 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.47 A TRANSFORM -0.0315 0.7541 -0.6560 0.3374 0.6259 0.7032 -0.9408 0.1992 0.2742 40.456 67.264 37.879 E 98 SER B 239 SER.? E 123 HIS A 180 HIS^? E 172 ASP A 218 ASP~? ULMNm 3 1a50_c03 TRYPTOPHAN SYNTHASE user 3 3 RMSD = 1.47 A TRANSFORM -0.5615 -0.7631 -0.3199 0.5840 -0.0916 -0.8065 -0.5862 0.6397 -0.4972 67.988 42.480 9.126 A 49 GLU B 144 GLU^? A 60 ASP B 210 ASP^? A 175 TYR B 222 TYR^? ULMNm 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 5 3 RMSD = 1.47 A TRANSFORM 0.3137 -0.4250 0.8491 -0.6584 -0.7417 -0.1280 -0.6842 0.5189 0.5124 57.730 59.551 40.146 B 98 SER B 239 SER.? B 123 HIS A 180 HIS^? B 172 ASP A 218 ASP~? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.47 A TRANSFORM -0.4858 0.4639 0.7408 -0.8709 -0.1852 -0.4551 0.0740 0.8663 -0.4940 18.971 4.610 18.070 A 49 ASP A 218 ASP~? A 86 HIS A 180 HIS^? A 250 ALA A 213 ALA^? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.47 A TRANSFORM -0.4858 0.4639 0.7408 -0.8709 -0.1852 -0.4551 0.0740 0.8663 -0.4940 18.971 4.610 18.070 A 49 ASP A 218 ASP~? A 86 HIS A 180 HIS^? A 250 ALA A 213 ALA^? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.47 A TRANSFORM 0.0204 0.8224 0.5685 -0.3301 0.5423 -0.7726 0.9437 0.1720 -0.2825 33.058 76.930 5.784 B 194 SER A 224 SER^? B 292 ASP A 199 ASP~? B 322 HIS A 180 HIS^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 1.47 A TRANSFORM 0.8336 -0.1371 0.5350 -0.0181 -0.9750 -0.2216 -0.5520 -0.1750 0.8153 16.702 39.990 -20.728 A 465 GLY B 203 GLY.? A 501 ASP B 138 ASP.? B 367 TYR A 88 TYR^? ULMNm 3 1eq2_c08 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 RMSD = 1.47 A TRANSFORM 0.7096 0.3483 0.6125 0.6732 -0.5917 -0.4435 -0.2079 -0.7271 0.6543 -2.201 111.773 12.714 I 116 SER B 224 SER^? I 140 TYR B 222 TYR^? I 144 LYS B 211 LYS^? ULMNm 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.48 A TRANSFORM 0.5116 0.2454 0.8235 -0.3578 -0.8105 0.4638 -0.7812 0.5319 0.3269 143.594 38.905 88.637 N 98 SER B 239 SER.? N 123 HIS A 180 HIS^? N 172 ASP A 218 ASP~? ULMNm 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 RMSD = 1.48 A TRANSFORM -0.5284 -0.7309 -0.4319 -0.3984 0.6627 -0.6342 -0.7497 0.1631 0.6414 44.362 53.449 41.237 G 98 SER B 239 SER.? G 123 HIS A 180 HIS^? G 172 ASP A 218 ASP~? ULMNm 3 1eq2_c09 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 RMSD = 1.48 A TRANSFORM 0.3302 0.8563 -0.3971 0.6598 -0.5102 -0.5516 0.6750 0.0799 0.7335 37.898 114.701 -19.216 J 116 SER B 224 SER^? J 140 TYR B 222 TYR^? J 144 LYS B 211 LYS^? ULMNm 3 1eq2_c04 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 RMSD = 1.48 A TRANSFORM -0.3300 -0.8495 0.4116 -0.6429 0.5215 0.5609 0.6912 0.0796 0.7183 8.193 11.674 22.928 E 116 SER B 224 SER^? E 140 TYR B 222 TYR^? E 144 LYS B 211 LYS^? ULMNm 3 1eq2_c01 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 RMSD = 1.48 A TRANSFORM -0.0474 0.5671 -0.8223 -0.6482 0.6088 0.4573 -0.7600 -0.5547 -0.3388 30.377 14.204 103.847 B 116 SER B 224 SER^? B 140 TYR B 222 TYR^? B 144 LYS B 211 LYS^? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.48 A TRANSFORM 0.2955 0.5275 0.7965 -0.9553 0.1635 0.2461 0.0004 0.8337 -0.5523 -60.115 47.981 14.767 E 49 ASP A 218 ASP~? E 86 HIS A 180 HIS^? E 250 ALA A 213 ALA^? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.48 A TRANSFORM 0.1561 -0.7001 0.6968 -0.0059 -0.7061 -0.7081 -0.9877 -0.1064 0.1143 32.690 56.998 -38.472 D 465 GLY A 203 GLY.? D 501 ASP A 138 ASP.? E 367 TYR B 88 TYR^? ULMNm 3 1eq2_c02 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 RMSD = 1.48 A TRANSFORM 0.7567 0.6519 0.0498 -0.5920 0.6509 0.4753 -0.2774 0.3891 -0.8784 -21.293 11.258 102.131 C 116 SER B 224 SER^? C 140 TYR B 222 TYR^? C 144 LYS B 211 LYS^? ULMNm 3 1eq2_c03 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 RMSD = 1.48 A TRANSFORM 0.5500 -0.2226 0.8049 -0.5705 0.6037 0.5568 0.6099 0.7655 -0.2050 -34.863 8.789 51.999 D 116 SER B 224 SER^? D 140 TYR B 222 TYR^? D 144 LYS B 211 LYS^? ULMNm 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 3 3 RMSD = 1.48 A TRANSFORM 0.5250 -0.8463 -0.0906 0.5169 0.4016 -0.7559 -0.6761 -0.3500 -0.6483 60.008 52.226 68.667 10 ASN B 181 ASN^? 20 HIS B 180 HIS^? 93 ASP B 218 ASP~? ULMNm 3 1eq2_c00 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 RMSD = 1.49 A TRANSFORM -0.7159 -0.3569 -0.6000 -0.6732 0.5806 0.4578 -0.1850 -0.7318 0.6560 48.565 14.878 54.516 A 116 SER B 224 SER^? A 140 TYR B 222 TYR^? A 144 LYS B 211 LYS^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.49 A TRANSFORM 0.0551 0.1060 0.9928 -0.0998 0.9900 -0.1002 0.9935 0.0935 -0.0651 14.212 18.912 -27.042 A 465 GLY A 203 GLY.? A 501 ASP A 138 ASP.? B 367 TYR B 88 TYR^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.49 A TRANSFORM 0.6026 0.5052 0.6178 -0.4808 -0.3881 0.7863 -0.6370 0.7708 -0.0090 49.949 15.046 15.215 A 67 ASP A 204 ASP.? A 68 ALA A 190 ALA.? A 72 LEU A 206 LEU^? ULMNm 3 1eq2_c07 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 RMSD = 1.49 A TRANSFORM 0.0303 -0.5655 0.8242 0.6566 -0.6105 -0.4430 -0.7537 -0.5546 -0.3528 15.875 111.925 62.243 H 116 SER B 224 SER^? H 140 TYR B 222 TYR^? H 144 LYS B 211 LYS^? ULMNm 3 1a50_c03 TRYPTOPHAN SYNTHASE user 1 3 RMSD = 1.49 A TRANSFORM -0.0162 0.7525 -0.6584 -0.9859 0.0975 0.1357 -0.1663 -0.6514 -0.7403 49.730 43.375 23.036 A 49 GLU A 144 GLU^? A 60 ASP A 210 ASP^? A 175 TYR A 222 TYR^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 RMSD = 1.49 A TRANSFORM -0.1891 0.5118 0.8380 -0.1581 0.8264 -0.5404 0.9691 0.2347 0.0754 33.543 9.560 8.262 A 229 ALA B 205 ALA^? A 257 ALA B 190 ALA.? A 328 ASP B 201 ASP.? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 1.49 A TRANSFORM 0.8966 -0.4398 -0.0514 0.0416 0.1993 -0.9791 -0.4409 -0.8757 -0.1969 25.926 -1.639 39.615 A 49 ASP B 218 ASP~? A 86 HIS B 180 HIS^? A 250 ALA B 213 ALA^? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 1.49 A TRANSFORM 0.8966 -0.4398 -0.0514 0.0416 0.1993 -0.9791 -0.4409 -0.8757 -0.1969 25.926 -1.639 39.615 A 49 ASP B 218 ASP~? A 86 HIS B 180 HIS^? A 250 ALA B 213 ALA^? ULMNm 3 1a79_c03 TRNA ENDONUCLEASE user 8 3 RMSD = 1.49 A TRANSFORM 0.3183 0.0266 -0.9476 -0.9062 0.3021 -0.2959 -0.2784 -0.9529 -0.1203 52.272 24.291 92.741 D 115 TYR A 222 TYR^? D 125 HIS A 147 HIS^? D 156 LYS A 118 LYS~? ULMNm 3 1eq2_c06 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 RMSD = 1.49 A TRANSFORM -0.4172 -0.2263 -0.8802 -0.7615 0.6157 0.2026 -0.4961 -0.7548 0.4292 85.682 107.214 29.973 G 116 SER A 224 SER^? G 140 TYR A 222 TYR^? G 144 LYS A 211 LYS^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.50 A TRANSFORM 0.2705 0.4150 -0.8687 -0.9188 0.3808 -0.1042 -0.2876 -0.8263 -0.4843 132.949 19.560 -4.249 A 316 ALA A 190 ALA.? A 317 GLY A 203 GLY.? A 318 ASP A 204 ASP.? ULMNm 3 1eq2_c05 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 RMSD = 1.50 A TRANSFORM -0.7497 -0.6588 -0.0632 0.6098 -0.6505 -0.4528 -0.2572 0.3780 -0.8894 67.972 114.632 60.507 F 116 SER B 224 SER^? F 140 TYR B 222 TYR^? F 144 LYS B 211 LYS^? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 1.50 A TRANSFORM 0.5115 0.6654 0.5437 -0.6232 0.7229 -0.2984 0.5916 0.1861 -0.7845 18.120 41.673 -45.045 D 465 GLY B 203 GLY.? D 501 ASP B 138 ASP.? E 367 TYR A 88 TYR^?