*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1qtn_c02 ACETYL-ILE-GLU-THR-ASP-ALDEHYDE user 2 3 RMSD = 0.78 A TRANSFORM 0.9651 -0.2239 0.1357 0.1029 0.8010 0.5898 -0.2408 -0.5552 0.7961 40.043 3.648 37.842 A 317 HIS B 131 HIS^? A 318 GLY B 112 GLY^? A 360 CYH B 57 CYH^? ULMNm 3 1qtn_c02 ACETYL-ILE-GLU-THR-ASP-ALDEHYDE user 3 3 RMSD = 0.80 A TRANSFORM 0.9682 -0.2092 0.1375 0.0939 0.8126 0.5752 -0.2321 -0.5439 0.8064 -16.360 22.150 33.498 A 317 HIS C 131 HIS^? A 318 GLY C 112 GLY^? A 360 CYH C 57 CYH^? ULMNm 3 1qtn_c02 ACETYL-ILE-GLU-THR-ASP-ALDEHYDE user 1 3 RMSD = 0.81 A TRANSFORM 0.6609 -0.7384 -0.1337 -0.6573 -0.4837 -0.5779 0.3621 0.4698 -0.8051 29.335 58.653 15.924 A 317 HIS A 131 HIS^? A 318 GLY A 112 GLY^? A 360 CYH A 57 CYH^? ULMNm 3 1qx3_c00 APOPAIN user 2 3 RMSD = 1.03 A TRANSFORM 0.7910 0.5903 -0.1607 -0.4072 0.3120 -0.8584 -0.4565 0.7445 0.4872 14.159 10.809 -41.236 A 121 HIS B 131 HIS^? A 122 GLY B 112 GLY^? A 163 CYH B 57 CYH^? ULMNm 3 1qx3_c00 APOPAIN user 3 3 RMSD = 1.05 A TRANSFORM 0.7834 0.5970 -0.1728 -0.4127 0.2918 -0.8628 -0.4647 0.7473 0.4750 -8.911 41.261 4.397 A 121 HIS C 131 HIS^? A 122 GLY C 112 GLY^? A 163 CYH C 57 CYH^? ULMNm 3 1qx3_c00 APOPAIN user 1 3 RMSD = 1.05 A TRANSFORM -0.1329 -0.9758 0.1735 -0.4616 0.2159 0.8604 -0.8771 0.0342 -0.4792 47.064 17.227 8.747 A 121 HIS A 131 HIS^? A 122 GLY A 112 GLY^? A 163 CYH A 57 CYH^? ULMNm 3 1bwd_c03 INOSAMINE-PHOSPHATE AMIDINOTRANSFERAuser 3 3 RMSD = 1.05 A TRANSFORM -0.2150 0.7603 0.6129 0.9644 0.2644 0.0103 -0.1543 0.5933 -0.7901 41.164 110.814 6.495 B 179 ASP B 25 ASP.? B 227 HIS B 110 HIS.? B 332 CYH B 57 CYH^? ULMNm 3 1bwd_c03 INOSAMINE-PHOSPHATE AMIDINOTRANSFERAuser 5 3 RMSD = 1.06 A TRANSFORM -0.2445 0.7699 0.5895 0.9545 0.2980 0.0066 -0.1706 0.5643 -0.8077 74.938 68.870 32.575 B 179 ASP C 25 ASP.? B 227 HIS C 110 HIS.? B 332 CYH C 57 CYH^? ULMNm 3 1bwd_c03 INOSAMINE-PHOSPHATE AMIDINOTRANSFERAuser 1 3 RMSD = 1.07 A TRANSFORM -0.7919 -0.1628 -0.5885 0.1999 -0.9798 0.0020 -0.5769 -0.1161 0.8085 92.559 127.275 29.168 B 179 ASP A 25 ASP.? B 227 HIS A 110 HIS.? B 332 CYH A 57 CYH^? ULMNm 3 1jdw_c01 L-ARGININE-GLYCINE AMIDINOTRANSFERASuser 3 3 RMSD = 1.07 A TRANSFORM 0.9380 0.3466 -0.0021 0.3054 -0.8235 0.4782 0.1640 -0.4492 -0.8783 79.132 106.462 51.675 254 ASP B 25 ASP.? 303 HIS B 110 HIS.? 407 CYH B 57 CYH^? ULMNm 3 1jdw_c01 L-ARGININE-GLYCINE AMIDINOTRANSFERASuser 5 3 RMSD = 1.07 A TRANSFORM 0.9263 0.3766 -0.0066 0.3285 -0.7992 0.5033 0.1843 -0.4684 -0.8641 41.016 65.774 29.981 254 ASP C 25 ASP.? 303 HIS C 110 HIS.? 407 CYH C 57 CYH^? ULMNm 3 1jdw_c01 L-ARGININE-GLYCINE AMIDINOTRANSFERASuser 1 3 RMSD = 1.07 A TRANSFORM 0.1155 -0.9932 0.0165 0.8591 0.0915 -0.5035 0.4985 0.0724 0.8638 100.061 66.575 14.266 254 ASP A 25 ASP.? 303 HIS A 110 HIS.? 407 CYH A 57 CYH^? ULMNm 3 1bwd_c02 INOSAMINE-PHOSPHATE AMIDINOTRANSFERAuser 3 3 RMSD = 1.08 A TRANSFORM 0.3107 0.6019 0.7357 -0.5501 0.7450 -0.3773 -0.7752 -0.2875 0.5626 100.145 -19.594 -32.898 A 179 ASP B 25 ASP.? A 227 HIS B 110 HIS.? A 332 CYH B 57 CYH^? ULMNm 3 1bwd_c02 INOSAMINE-PHOSPHATE AMIDINOTRANSFERAuser 5 3 RMSD = 1.08 A TRANSFORM 0.2856 0.6335 0.7191 -0.5739 0.7140 -0.4011 -0.7675 -0.2981 0.5675 101.921 31.388 -1.626 A 179 ASP C 25 ASP.? A 227 HIS C 110 HIS.? A 332 CYH C 57 CYH^? ULMNm 3 1bwd_c02 INOSAMINE-PHOSPHATE AMIDINOTRANSFERAuser 1 3 RMSD = 1.09 A TRANSFORM -0.4165 -0.5623 -0.7144 -0.9025 0.1612 0.3994 -0.1094 0.8111 -0.5746 144.912 16.853 -42.538 A 179 ASP A 25 ASP.? A 227 HIS A 110 HIS.? A 332 CYH A 57 CYH^? ULMNm 3 1nw9_c02 CASPASE 9, APOPTOSIS-RELATED CYSTEINuser 3 3 RMSD = 1.10 A TRANSFORM 0.1820 -0.5291 0.8288 -0.8784 -0.4662 -0.1048 0.4419 -0.7090 -0.5496 69.468 -5.960 143.380 B 237 HIS B 131 HIS^? B 238 GLY B 112 GLY^? B 287 CYH B 57 CYH^? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 4 3 RMSD = 1.10 A TRANSFORM 0.5104 0.8290 0.2286 -0.7664 0.3180 0.5581 0.3900 -0.4601 0.7976 2.688 -41.043 49.825 30 GLY B 55 GLY^? 48 HIS B 131 HIS^? 99 ASP B 25 ASP.? ULMNm 3 1nw9_c02 CASPASE 9, APOPTOSIS-RELATED CYSTEINuser 1 3 RMSD = 1.11 A TRANSFORM 0.5431 0.0871 -0.8351 -0.0132 0.9954 0.0952 0.8395 -0.0407 0.5418 49.760 -35.227 94.765 B 237 HIS A 131 HIS^? B 238 GLY A 112 GLY^? B 287 CYH A 57 CYH^? ULMNm 3 1nw9_c02 CASPASE 9, APOPTOSIS-RELATED CYSTEINuser 5 3 RMSD = 1.11 A TRANSFORM 0.1915 -0.5117 0.8376 -0.8708 -0.4823 -0.0956 0.4529 -0.7110 -0.5379 44.122 25.399 99.527 B 237 HIS C 131 HIS^? B 238 GLY C 112 GLY^? B 287 CYH C 57 CYH^? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 1 3 RMSD = 1.12 A TRANSFORM 0.0190 0.7929 0.6091 -0.2912 0.5872 -0.7553 -0.9565 -0.1630 0.2420 2.935 11.468 50.627 A 194 SER A 116 SER^? A 292 ASP C 135 ASP.? A 322 HIS A 110 HIS.? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 2 3 RMSD = 1.16 A TRANSFORM -0.4798 -0.8523 -0.2085 -0.6708 0.5095 -0.5390 0.5655 -0.1187 -0.8161 54.782 -15.384 33.335 30 GLY A 55 GLY^? 48 HIS A 131 HIS^? 99 ASP A 25 ASP.? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 6 3 RMSD = 1.17 A TRANSFORM 0.4885 0.8479 0.2061 -0.7782 0.3165 0.5424 0.3946 -0.4253 0.8145 1.175 7.986 15.574 30 GLY C 55 GLY^? 48 HIS C 131 HIS^? 99 ASP C 25 ASP.? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.17 A TRANSFORM -0.2249 -0.8573 -0.4631 -0.6249 -0.2377 0.7436 -0.7476 0.4567 -0.4823 147.367 83.184 154.579 B1198 GLY C 123 GLY.? B1228 SER C 119 SER.? B1549 ASP C 50 ASP.? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.17 A TRANSFORM -0.8144 0.5792 -0.0366 0.2309 0.2655 -0.9361 -0.5324 -0.7708 -0.3499 -10.595 79.483 36.157 B 194 SER B 116 SER^? B 292 ASP A 135 ASP.? B 322 HIS B 110 HIS.? ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 3 3 RMSD = 1.18 A TRANSFORM -0.8044 -0.5940 -0.0131 -0.3334 0.4330 0.8375 -0.4918 0.6780 -0.5463 -10.502 -13.746 31.699 C 107 ASP B 25 ASP.? C 246 ASP B 104 ASP^? C 275 HIS B 110 HIS.? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 1 3 RMSD = 1.18 A TRANSFORM -0.9149 0.4025 0.0322 -0.1168 -0.3402 0.9331 0.3865 0.8499 0.3583 23.392 83.599 -14.360 B 194 SER A 116 SER^? B 292 ASP C 135 ASP.? B 322 HIS A 110 HIS.? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.19 A TRANSFORM -0.6699 -0.4350 -0.6017 -0.6537 -0.0386 0.7557 -0.3520 0.8996 -0.2585 36.523 4.432 0.112 A 194 SER B 116 SER^? A 292 ASP A 135 ASP.? A 322 HIS B 110 HIS.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.19 A TRANSFORM 0.0040 0.8555 0.5178 -0.9865 0.0881 -0.1378 -0.1635 -0.5103 0.8443 -43.864 5.323 25.236 141 ASP A 104 ASP^? 166 GLY A 130 GLY^? 169 GLU A 127 GLU^? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 6 3 RMSD = 1.20 A TRANSFORM 0.2744 -0.3447 -0.8977 -0.4227 -0.8818 0.2094 -0.8637 0.3220 -0.3877 51.466 7.715 86.353 A 198 GLY C 123 GLY.? A 228 SER C 119 SER.? A 549 ASP C 50 ASP.? ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 5 3 RMSD = 1.22 A TRANSFORM -0.7657 -0.6428 0.0206 -0.3347 0.4256 0.8407 -0.5492 0.6368 -0.5411 13.005 16.099 77.499 C 107 ASP C 25 ASP.? C 246 ASP C 104 ASP^? C 275 HIS C 110 HIS.? ULMNm 3 1cs1_c03 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.23 A TRANSFORM -0.5737 0.4373 -0.6926 -0.8179 -0.2609 0.5128 0.0436 0.8607 0.5073 71.052 8.639 18.645 B 101 TYR A 121 TYR.? B 173 ASP A 50 ASP.? D 48 ARG C 39 ARG~? ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.24 A TRANSFORM 0.1287 0.9916 0.0117 -0.5531 0.0816 -0.8291 -0.8231 0.1002 0.5590 -45.999 22.283 64.115 C 107 ASP A 25 ASP.? C 246 ASP A 104 ASP^? C 275 HIS A 110 HIS.? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.25 A TRANSFORM 0.4450 -0.0605 0.8935 0.5330 0.8197 -0.2099 -0.7196 0.5697 0.3970 43.258 -38.306 46.950 A 198 GLY A 123 GLY.? A 228 SER A 119 SER.? A 549 ASP A 50 ASP.? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.25 A TRANSFORM -0.2504 -0.8395 -0.4822 -0.6333 -0.2347 0.7375 -0.7323 0.4900 -0.4729 159.418 58.013 101.693 B1198 GLY B 123 GLY.? B1228 SER B 119 SER.? B1549 ASP B 50 ASP.? ULMNm 3 2tmd_c01 TRIMETHYLAMINE DEHYDROGENASE user 2 3 RMSD = 1.25 A TRANSFORM -0.0528 0.0100 -0.9986 -0.3323 -0.9431 0.0081 -0.9417 0.3323 0.0531 52.352 17.959 -26.590 B 169 TYR B 106 TYR.? B 172 HIS B 110 HIS.? B 267 ASP B 25 ASP.? ULMNm 3 2tmd_c00 TRIMETHYLAMINE DEHYDROGENASE user 2 3 RMSD = 1.26 A TRANSFORM -0.1303 -0.1569 0.9790 -0.9429 -0.2856 -0.1713 0.3064 -0.9454 -0.1107 15.347 -15.533 49.686 A 169 TYR B 106 TYR.? A 172 HIS B 110 HIS.? A 267 ASP B 25 ASP.? ULMNm 3 2tmd_c01 TRIMETHYLAMINE DEHYDROGENASE user 3 3 RMSD = 1.26 A TRANSFORM -0.0457 -0.0191 -0.9988 -0.2927 -0.9557 0.0317 -0.9551 0.2938 0.0381 55.697 6.821 32.205 B 169 TYR C 106 TYR.? B 172 HIS C 110 HIS.? B 267 ASP C 25 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.26 A TRANSFORM -0.7532 -0.4112 -0.5135 -0.5489 0.8231 0.1459 0.3626 0.3917 -0.8456 -12.756 -44.181 12.821 141 ASP B 104 ASP^? 166 GLY B 130 GLY^? 169 GLU B 127 GLU^? ULMNm 3 2tmd_c00 TRIMETHYLAMINE DEHYDROGENASE user 3 3 RMSD = 1.27 A TRANSFORM -0.1300 -0.1363 0.9821 -0.9287 -0.3302 -0.1687 0.3473 -0.9340 -0.0837 17.083 24.808 5.404 A 169 TYR C 106 TYR.? A 172 HIS C 110 HIS.? A 267 ASP C 25 ASP.? ULMNm 3 2tmd_c01 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.27 A TRANSFORM -0.0035 0.0439 0.9990 0.6684 0.7432 -0.0303 -0.7438 0.6676 -0.0320 39.968 -37.185 -7.211 B 169 TYR A 106 TYR.? B 172 HIS A 110 HIS.? B 267 ASP A 25 ASP.? ULMNm 3 2tmd_c00 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.28 A TRANSFORM 0.0452 0.1873 -0.9813 -0.1955 0.9649 0.1751 0.9797 0.1839 0.0802 18.772 -35.095 -6.672 A 169 TYR A 106 TYR.? A 172 HIS A 110 HIS.? A 267 ASP A 25 ASP.? ULMNm 3 1w1o_c00 CYTOKININ DEHYDROGENASE 1 user 3 3 RMSD = 1.28 A TRANSFORM -0.5693 -0.4406 -0.6941 0.4307 -0.8790 0.2047 -0.7003 -0.1824 0.6901 81.713 41.153 18.598 A 105 HIS C 109 HIS.? A 169 ASP C 59 ASP.? A 288 GLU C 63 GLU~? ULMNm 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.29 A TRANSFORM 0.5740 0.1173 -0.8104 -0.8045 0.2649 -0.5315 0.1523 0.9571 0.2464 42.428 31.785 9.335 A 163 TYR A 121 TYR.? A 236 ASP A 50 ASP.? C 110 ARG C 39 ARG~? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 4 3 RMSD = 1.29 A TRANSFORM 0.2661 -0.3366 -0.9033 -0.4540 -0.8704 0.1906 -0.8504 0.3593 -0.3844 74.745 10.705 31.317 A 198 GLY B 123 GLY.? A 228 SER B 119 SER.? A 549 ASP B 50 ASP.? ULMNm 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.29 A TRANSFORM -0.5332 0.1786 -0.8269 0.8395 0.2319 -0.4913 0.1040 -0.9562 -0.2737 75.558 -8.827 51.547 B 48 ARG C 39 ARG~? D 101 TYR A 121 TYR.? D 173 ASP A 50 ASP.? ULMNm 3 1cs1_c00 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.29 A TRANSFORM 0.5040 -0.4044 0.7632 -0.6777 0.3627 0.6397 -0.5355 -0.8396 -0.0912 28.674 -3.127 59.982 A 101 TYR A 121 TYR.? A 173 ASP A 50 ASP.? C 48 ARG C 39 ARG~? ULMNm 3 1w1o_c00 CYTOKININ DEHYDROGENASE 1 user 1 3 RMSD = 1.30 A TRANSFORM 0.0510 0.7249 0.6870 0.9763 0.1086 -0.1870 -0.2102 0.6803 -0.7022 28.946 37.455 -13.174 A 105 HIS A 109 HIS.? A 169 ASP A 59 ASP.? A 288 GLU A 63 GLU~? ULMNm 3 1qgn_c20 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.31 A TRANSFORM -0.0093 0.2735 -0.9618 0.9828 -0.1752 -0.0593 -0.1847 -0.9458 -0.2671 56.736 -21.737 -32.676 E 110 ARG C 39 ARG~? G 163 TYR A 121 TYR.? G 236 ASP A 50 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.31 A TRANSFORM -0.0701 -0.9936 0.0881 0.9959 -0.0747 -0.0501 0.0563 0.0842 0.9949 19.222 6.210 4.567 141 ASP C 62 ASP~? 166 GLY A 123 GLY.? 169 GLU A 127 GLU^? ULMNm 3 1qgn_c21 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.31 A TRANSFORM 0.8137 -0.3460 0.4672 0.5018 0.0123 -0.8649 0.2935 0.9382 0.1836 17.935 2.163 -69.325 F 110 ARG C 39 ARG~? H 163 TYR A 121 TYR.? H 236 ASP A 50 ASP.? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 4 3 RMSD = 1.31 A TRANSFORM 0.4446 0.1594 -0.8815 -0.2219 -0.9338 -0.2807 -0.8678 0.3204 -0.3798 82.450 89.881 137.080 A 50 ASP C 13 ASP~? A 327 GLU A 63 GLU~? A 339 ARG A 111 ARG.? ULMNm 3 1qgn_c16 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.31 A TRANSFORM -0.9845 0.1374 0.1087 -0.0649 0.2901 -0.9548 -0.1627 -0.9471 -0.2767 51.611 26.632 44.788 A 110 ARG C 39 ARG~? C 163 TYR A 121 TYR.? C 236 ASP A 50 ASP.? ULMNm 3 1qgn_c23 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.32 A TRANSFORM 0.0493 -0.1856 0.9814 -0.9560 0.2758 0.1001 -0.2892 -0.9431 -0.1638 19.688 6.297 -32.642 F 163 TYR A 121 TYR.? F 236 ASP A 50 ASP.? H 110 ARG C 39 ARG~? ULMNm 3 1qgn_c19 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.32 A TRANSFORM 0.9482 -0.2793 -0.1513 0.0977 -0.1967 0.9756 -0.3023 -0.9398 -0.1592 25.778 -11.981 44.938 B 163 TYR A 121 TYR.? B 236 ASP A 50 ASP.? D 110 ARG C 39 ARG~? ULMNm 3 1cs1_c01 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.33 A TRANSFORM 0.6296 -0.1910 0.7531 0.6805 -0.3321 -0.6532 0.3749 0.9237 -0.0791 24.647 2.838 23.137 A 48 ARG C 39 ARG~? C 101 TYR A 121 TYR.? C 173 ASP A 50 ASP.? ULMNm 3 1qgn_c17 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.33 A TRANSFORM -0.5663 0.0182 0.8240 0.7614 -0.3713 0.5314 0.3156 0.9284 0.1964 30.101 -12.794 8.216 B 110 ARG C 39 ARG~? D 163 TYR A 121 TYR.? D 236 ASP A 50 ASP.? ULMNm 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.34 A TRANSFORM -0.8350 0.2777 -0.4750 -0.5199 -0.1156 0.8464 0.1801 0.9537 0.2409 61.777 -13.661 -68.522 E 163 TYR A 121 TYR.? E 236 ASP A 50 ASP.? G 110 ARG C 39 ARG~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 1 3 RMSD = 1.35 A TRANSFORM 0.0785 -0.4889 0.8688 0.6998 0.6477 0.3013 -0.7101 0.5843 0.3929 99.597 47.078 97.305 A 50 ASP A 13 ASP~? A 327 GLU B 63 GLU~? A 339 ARG B 111 ARG.? ULMNm 3 1cs1_c03 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.35 A TRANSFORM -0.6807 0.1876 0.7081 -0.2080 0.8774 -0.4323 -0.7024 -0.4416 -0.5582 48.503 -37.165 52.781 B 101 TYR B 121 TYR.? B 173 ASP B 50 ASP.? D 48 ARG A 39 ARG~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.38 A TRANSFORM 0.8118 0.5791 -0.0755 0.5821 -0.8127 0.0254 -0.0466 -0.0646 -0.9968 -14.193 54.580 21.589 141 ASP A 62 ASP~? 166 GLY B 123 GLY.? 169 GLU B 127 GLU^? ULMNm 3 1w1o_c00 CYTOKININ DEHYDROGENASE 1 user 2 3 RMSD = 1.39 A TRANSFORM -0.6057 -0.3867 -0.6954 0.3778 -0.9089 0.1764 -0.7003 -0.1559 0.6966 61.405 88.227 -13.133 A 105 HIS B 109 HIS.? A 169 ASP B 59 ASP.? A 288 GLU B 63 GLU~? ULMNm 3 1b02_c02 THYMIDYLATE SYNTHASE user 2 3 RMSD = 1.40 A TRANSFORM 0.2567 0.0462 -0.9654 -0.5563 -0.8098 -0.1867 -0.7904 0.5849 -0.1822 24.389 67.102 -41.212 A 71 GLU B 127 GLU^? A 161 CYH B 23 CYH.? A 192 ASN B 19 ASN~? ULMNm 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.41 A TRANSFORM 0.1978 -0.6251 0.7551 -0.6552 0.4886 0.5762 -0.7291 -0.6087 -0.3129 68.276 -6.639 49.665 A 163 TYR B 121 TYR.? A 236 ASP B 50 ASP.? C 110 ARG A 39 ARG~? ULMNm 3 1b02_c02 THYMIDYLATE SYNTHASE user 1 3 RMSD = 1.42 A TRANSFORM 0.1159 -0.2305 0.9661 0.4405 0.8838 0.1580 -0.8902 0.4073 0.2040 14.288 16.642 -9.718 A 71 GLU A 127 GLU^? A 161 CYH A 23 CYH.? A 192 ASN A 19 ASN~? ULMNm 3 1qgn_c21 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.43 A TRANSFORM 0.7284 -0.4596 -0.5081 0.2483 -0.5141 0.8210 -0.6386 -0.7242 -0.2604 53.671 20.453 -22.849 F 110 ARG A 39 ARG~? H 163 TYR B 121 TYR.? H 236 ASP B 50 ASP.? ULMNm 3 1cs1_c00 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.43 A TRANSFORM 0.6165 -0.1383 -0.7751 -0.6618 0.4424 -0.6052 0.4266 0.8861 0.1812 49.280 -20.839 4.891 A 101 TYR B 121 TYR.? A 173 ASP B 50 ASP.? C 48 ARG A 39 ARG~? ULMNm 3 1qgn_c19 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.43 A TRANSFORM 0.7381 -0.6682 0.0933 0.2266 0.1153 -0.9671 0.6354 0.7350 0.2365 64.766 -3.905 -1.821 B 163 TYR B 121 TYR.? B 236 ASP B 50 ASP.? D 110 ARG A 39 ARG~? ULMNm 3 1qgn_c20 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.43 A TRANSFORM -0.2448 -0.2291 0.9421 0.6687 -0.7435 -0.0070 0.7021 0.6283 0.3353 55.794 23.192 -74.530 E 110 ARG A 39 ARG~? G 163 TYR B 121 TYR.? G 236 ASP B 50 ASP.? ULMNm 3 1qgn_c16 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.43 A TRANSFORM -0.6373 0.7696 -0.0397 -0.2883 -0.1903 0.9384 0.7147 0.6095 0.3432 5.866 23.396 3.943 A 110 ARG A 39 ARG~? C 163 TYR B 121 TYR.? C 236 ASP B 50 ASP.? ULMNm 3 1qgn_c23 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.44 A TRANSFORM 0.1916 0.1511 -0.9698 -0.7396 0.6718 -0.0414 0.6452 0.7251 0.2405 25.649 -33.693 -78.866 F 163 TYR B 121 TYR.? F 236 ASP B 50 ASP.? H 110 ARG A 39 ARG~? ULMNm 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 4 3 RMSD = 1.44 A TRANSFORM -0.7455 -0.5779 0.3320 0.6104 -0.3919 0.6884 -0.2677 0.7159 0.6449 2.105 62.262 -31.419 A 57 HIS B 131 HIS^? A 102 ASP B 25 ASP.? A 193 GLY B 55 GLY^? ULMNm 3 1qgn_c17 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.44 A TRANSFORM -0.3087 0.5487 -0.7769 0.7228 -0.3956 -0.5666 -0.6183 -0.7365 -0.2745 9.036 20.033 55.657 B 110 ARG A 39 ARG~? D 163 TYR B 121 TYR.? D 236 ASP B 50 ASP.? ULMNm 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 4 3 RMSD = 1.45 A TRANSFORM -0.9428 -0.2723 0.1921 0.2317 -0.1211 0.9652 -0.2396 0.9546 0.1772 -36.916 28.819 -10.150 B 57 HIS B 131 HIS^? B 102 ASP B 25 ASP.? B 193 GLY B 55 GLY^? ULMNm 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.45 A TRANSFORM -0.4413 0.2768 0.8536 0.2445 -0.8781 0.4112 0.8634 0.3902 0.3198 45.697 37.388 24.253 B 48 ARG A 39 ARG~? D 101 TYR B 121 TYR.? D 173 ASP B 50 ASP.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.45 A TRANSFORM 0.9526 0.2752 -0.1298 -0.1797 0.1647 -0.9698 -0.2455 0.9472 0.2064 36.330 -24.226 96.424 C 70 ALA B 67 ALA~? C 126 LEU B 66 LEU~? C 158 GLU B 63 GLU~? ULMNm 3 1cs1_c01 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.46 A TRANSFORM 0.5026 -0.3587 -0.7866 0.6369 -0.4616 0.6174 -0.5846 -0.8113 -0.0036 58.421 21.500 70.930 A 48 ARG A 39 ARG~? C 101 TYR B 121 TYR.? C 173 ASP B 50 ASP.? ULMNm 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 2 3 RMSD = 1.46 A TRANSFORM 0.1101 0.9399 -0.3233 0.6283 -0.3178 -0.7101 -0.7702 -0.1249 -0.6255 -28.451 47.273 19.296 A 57 HIS A 131 HIS^? A 102 ASP A 25 ASP.? A 193 GLY A 55 GLY^? ULMNm 3 1a0j_c13 TRYPSIN user 4 3 RMSD = 1.46 A TRANSFORM 0.6447 -0.7586 0.0942 -0.5232 -0.5277 -0.6692 0.5573 0.3821 -0.7371 102.580 54.555 71.691 B 57 HIS B 131 HIS^? B 102 ASP B 25 ASP.? B 193 GLY B 55 GLY^? ULMNm 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.46 A TRANSFORM -0.6820 0.5128 0.5213 -0.1707 0.5816 -0.7954 -0.7111 -0.6315 -0.3091 22.709 -36.299 -26.889 E 163 TYR B 121 TYR.? E 236 ASP B 50 ASP.? G 110 ARG A 39 ARG~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.46 A TRANSFORM 0.1035 0.9512 0.2909 -0.9785 0.0448 0.2015 0.1787 -0.3054 0.9353 -46.577 -8.692 3.376 141 ASP A 62 ASP~? 166 GLY B 123 GLY.? 169 GLU A 36 GLU~? ULMNm 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 4 3 RMSD = 1.47 A TRANSFORM -0.7512 -0.5793 0.3162 0.5975 -0.3934 0.6988 -0.2804 0.7139 0.6417 2.090 61.624 -31.878 A 57 HIS B 131 HIS^? A 102 ASP B 25 ASP.? A 193 GLY B 55 GLY^? ULMNm 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 2 3 RMSD = 1.47 A TRANSFORM -0.2491 0.9528 -0.1733 0.1950 -0.1260 -0.9727 -0.9486 -0.2761 -0.1544 -50.915 33.413 49.113 B 57 HIS A 131 HIS^? B 102 ASP A 25 ASP.? B 193 GLY A 55 GLY^? ULMNm 3 2odj_o00 PORIN D user 3 3 RMSD = 1.47 A TRANSFORM -0.1388 -0.6004 -0.7876 -0.8320 0.5020 -0.2360 0.5370 0.6225 -0.5692 41.796 -35.421 34.855 A 156 HIS B 110 HIS.? A 208 ASP B 59 ASP.? A 296 SER B 37 SER~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.47 A TRANSFORM 0.7394 -0.5366 0.4067 -0.0962 0.5136 0.8526 -0.6663 -0.6696 0.3282 60.657 -38.094 146.037 C 70 ALA B 67 ALA~? C 126 LEU B 134 LEU.? C 158 GLU B 63 GLU~? ULMNm 3 1a0j_c12 TRYPSIN user 4 3 RMSD = 1.47 A TRANSFORM 0.2392 0.9092 -0.3408 -0.1575 0.3827 0.9104 0.9581 -0.1641 0.2347 2.794 5.200 106.896 A 57 HIS B 131 HIS^? A 102 ASP B 25 ASP.? A 193 GLY B 55 GLY^? ULMNm 3 1ds2_c02 PROTEINASE B (SGPB user 1 3 RMSD = 1.47 A TRANSFORM -0.3400 0.9330 -0.1177 -0.7999 -0.3527 -0.4856 -0.4946 -0.0709 0.8662 -38.928 40.002 30.379 E 57 HIS A 110 HIS.? E 102 ASP A 25 ASP.? E 193 GLY A 55 GLY^? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 1.48 A TRANSFORM 0.7631 -0.4952 0.4152 -0.0872 0.5577 0.8254 -0.6403 -0.6661 0.3824 5.924 -18.350 159.951 C 70 ALA C 67 ALA~? C 126 LEU C 134 LEU.? C 158 GLU C 63 GLU~? ULMNm 3 1ds2_c02 PROTEINASE B (SGPB user 2 3 RMSD = 1.48 A TRANSFORM -0.9829 -0.1454 0.1129 -0.0659 0.8506 0.5217 -0.1719 0.5053 -0.8456 -31.146 -16.416 12.824 E 57 HIS B 110 HIS.? E 102 ASP B 25 ASP.? E 193 GLY B 55 GLY^? ULMNm 3 1lcb_c02 THYMIDYLATE SYNTHASE user 1 3 RMSD = 1.48 A TRANSFORM 0.3704 -0.0754 -0.9258 0.6956 0.6831 0.2227 0.6156 -0.7265 0.3054 8.704 25.033 -17.244 60 GLU A 127 GLU^? 198 CYH A 23 CYH.? 229 ASN A 19 ASN~? ULMNm 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 6 3 RMSD = 1.48 A TRANSFORM -0.7453 -0.5779 0.3326 0.6028 -0.3709 0.7064 -0.2849 0.7270 0.6247 23.346 18.918 3.687 A 57 HIS C 131 HIS^? A 102 ASP C 25 ASP.? A 193 GLY C 55 GLY^? ULMNm 3 1a0j_c13 TRYPSIN user 2 3 RMSD = 1.48 A TRANSFORM 0.9782 -0.1669 -0.1233 0.2060 0.7096 0.6738 -0.0250 -0.6845 0.7286 58.295 14.778 85.619 B 57 HIS A 131 HIS^? B 102 ASP A 25 ASP.? B 193 GLY A 55 GLY^? ULMNm 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 3 3 RMSD = 1.48 A TRANSFORM 0.7976 -0.4403 -0.4122 0.2931 0.8803 -0.3731 0.5271 0.1768 0.8312 97.733 40.855 83.570 B 107 ASP B 25 ASP.? B 246 ASP B 104 ASP^? B 275 HIS B 110 HIS.? ULMNm 3 1a0j_c15 TRYPSIN user 4 3 RMSD = 1.48 A TRANSFORM -0.2590 -0.1181 0.9586 -0.3889 -0.8957 -0.2154 0.8841 -0.4286 0.1861 -11.972 38.782 149.504 D 57 HIS B 131 HIS^? D 102 ASP B 25 ASP.? D 193 GLY B 55 GLY^? ULMNm 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 2 3 RMSD = 1.49 A TRANSFORM 0.1084 0.9455 -0.3069 0.6229 -0.3052 -0.7203 -0.7748 -0.1131 -0.6221 -28.759 46.644 18.681 A 57 HIS A 131 HIS^? A 102 ASP A 25 ASP.? A 193 GLY A 55 GLY^? ULMNm 3 1a0j_c15 TRYPSIN user 1 3 RMSD = 1.49 A TRANSFORM -0.9635 -0.0838 -0.2543 0.0017 -0.9516 0.3072 -0.2678 0.2955 0.9170 7.432 65.227 82.454 D 57 HIS A 110 HIS.? D 102 ASP A 25 ASP.? D 193 GLY A 55 GLY^? ULMNm 3 1a0j_c14 TRYPSIN user 1 3 RMSD = 1.49 A TRANSFORM 0.4881 -0.6787 -0.5487 0.3650 -0.4123 0.8347 -0.7928 -0.6077 0.0465 69.606 66.991 101.298 C 57 HIS A 110 HIS.? C 102 ASP A 25 ASP.? C 193 GLY A 55 GLY^? ULMNm 3 1a0j_c13 TRYPSIN user 1 3 RMSD = 1.49 A TRANSFORM -0.2582 -0.1334 0.9568 0.5353 -0.8442 0.0267 0.8042 0.5191 0.2894 53.085 91.577 30.522 B 57 HIS A 110 HIS.? B 102 ASP A 25 ASP.? B 193 GLY A 55 GLY^? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.49 A TRANSFORM -0.4669 0.6946 0.5473 -0.6347 0.1676 -0.7543 -0.6157 -0.6996 0.3626 -89.114 -27.979 150.567 B 70 ALA B 67 ALA~? B 126 LEU B 134 LEU.? B 158 GLU B 63 GLU~? ULMNm 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 6 3 RMSD = 1.49 A TRANSFORM -0.9429 -0.2781 0.1835 0.2177 -0.0971 0.9712 -0.2523 0.9556 0.1521 3.657 13.081 30.709 B 57 HIS C 131 HIS^? B 102 ASP C 25 ASP.? B 193 GLY C 55 GLY^? ULMNm 3 1a0j_c12 TRYPSIN user 1 3 RMSD = 1.49 A TRANSFORM 0.5354 0.7718 -0.3429 -0.8029 0.3392 -0.4901 -0.2620 0.5378 0.8014 -13.094 18.535 35.517 A 57 HIS A 110 HIS.? A 102 ASP A 25 ASP.? A 193 GLY A 55 GLY^? ULMNm 3 1a0j_c14 TRYPSIN user 3 3 RMSD = 1.49 A TRANSFORM 0.8281 -0.1368 0.5437 0.5358 -0.0922 -0.8393 0.1650 0.9863 -0.0031 69.193 83.402 44.136 C 57 HIS B 110 HIS.? C 102 ASP B 25 ASP.? C 193 GLY B 55 GLY^? ULMNm 3 2odj_o00 PORIN D user 1 3 RMSD = 1.49 A TRANSFORM 0.4697 0.4222 0.7754 -0.8444 0.4713 0.2548 -0.2578 -0.7744 0.5778 -4.179 -8.916 64.451 A 156 HIS A 110 HIS.? A 208 ASP A 59 ASP.? A 296 SER A 37 SER~? ULMNm 3 1a0j_c12 TRYPSIN user 2 3 RMSD = 1.49 A TRANSFORM -0.6509 -0.6742 0.3489 -0.4342 -0.0465 -0.8996 0.6228 -0.7370 -0.2625 53.140 39.202 99.926 A 57 HIS A 131 HIS^? A 102 ASP A 25 ASP.? A 193 GLY A 55 GLY^? ULMNm 3 1a0j_c15 TRYPSIN user 3 3 RMSD = 1.49 A TRANSFORM -0.3784 0.8781 0.2928 0.8411 0.4582 -0.2873 -0.3864 0.1376 -0.9120 -47.053 41.865 87.459 D 57 HIS B 110 HIS.? D 102 ASP B 25 ASP.? D 193 GLY B 55 GLY^? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.50 A TRANSFORM -0.3420 -0.1930 0.9197 0.9079 0.1846 0.3764 -0.2424 0.9637 0.1121 -10.027 67.302 94.625 A 70 ALA B 67 ALA~? A 126 LEU B 66 LEU~? A 158 GLU B 63 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 1.50 A TRANSFORM -0.4702 0.7126 0.5207 -0.6581 0.1100 -0.7448 -0.5881 -0.6929 0.4172 -44.500 10.509 160.929 B 70 ALA C 67 ALA~? B 126 LEU C 134 LEU.? B 158 GLU C 63 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.50 A TRANSFORM -0.3418 -0.2256 -0.9123 0.6695 -0.7397 -0.0679 -0.6595 -0.6340 0.4039 -5.937 96.757 143.351 A 70 ALA B 67 ALA~? A 126 LEU B 134 LEU.? A 158 GLU B 63 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 8 3 RMSD = 1.50 A TRANSFORM -0.7694 -0.5798 -0.2680 -0.5478 0.8148 -0.1899 0.3285 0.0007 -0.9445 13.976 -3.129 -2.616 141 ASP C 62 ASP~? 166 GLY A 123 GLY.? 169 GLU C 36 GLU~? ULMNm 3 1a0j_c12 TRYPSIN user 3 3 RMSD = 1.50 A TRANSFORM -0.4305 -0.8492 0.3058 -0.6765 0.5279 0.5134 -0.5975 0.0141 -0.8018 32.226 -18.438 46.360 A 57 HIS B 110 HIS.? A 102 ASP B 25 ASP.? A 193 GLY B 55 GLY^? ULMNm 3 1a0j_c13 TRYPSIN user 3 3 RMSD = 1.50 A TRANSFORM -0.0030 0.3321 -0.9432 0.9967 -0.0753 -0.0297 -0.0809 -0.9402 -0.3308 46.902 95.374 89.565 B 57 HIS B 110 HIS.? B 102 ASP B 25 ASP.? B 193 GLY B 55 GLY^? ULMNm 3 3hde_o00 LYSOZYME user 6 3 RMSD = 1.50 A TRANSFORM -0.8527 -0.2298 -0.4691 0.5212 -0.4345 -0.7345 -0.0351 -0.8709 0.4903 -2.583 -17.132 -19.161 A 35 GLU C 87 GLU.? A 44 ASP C 62 ASP~? A 50 THR C 60 THR~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.50 A TRANSFORM -0.6358 0.0254 -0.7715 -0.7503 -0.2550 0.6099 -0.1813 0.9666 0.1812 -66.118 -17.102 99.530 B 70 ALA B 67 ALA~? B 126 LEU B 66 LEU~? B 158 GLU B 63 GLU~?