*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1pix_c00 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 1 4 RMSD = 1.45 A TRANSFORM 0.0206 0.9601 0.2788 -0.9914 0.0556 -0.1181 0.1289 0.2740 -0.9531 44.692 117.128 19.432 A 151 VAL A 8 VAL.? A 194 GLY A 4 GLY.? A 417 ILE B 120 ILE~? A 457 ALA B 122 ALA~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 0.92 A TRANSFORM -0.2575 0.4469 0.8567 -0.7572 -0.6441 0.1083 -0.6002 0.6209 -0.5042 45.048 39.600 24.032 A 229 ALA A 122 ALA~? A 257 ALA A 123 ALA~? A 328 ASP B 59 ASP.? ULMNm 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 4 3 RMSD = 0.94 A TRANSFORM 0.1718 -0.0652 0.9830 -0.7859 -0.6107 0.0968 -0.5940 0.7892 0.1562 10.455 90.946 34.046 A 225 HIS B 131 HIS~? A 259 TYR B 68 TYR~? A 552 ASP A 22 ASP.? ULMNm 3 1bmt_c04 METHIONINE SYNTHASE (B12-BINDING DOMuser 4 3 RMSD = 0.97 A TRANSFORM -0.9413 0.1370 -0.3084 0.2726 0.8475 -0.4555 -0.1990 0.5128 0.8351 36.340 75.719 40.219 A 757 ASP B 89 ASP.? A 759 HIS B 87 HIS.? A 810 SER B 54 SER~? ULMNm 3 1bmt_c05 METHIONINE SYNTHASE (B12-BINDING DOMuser 4 3 RMSD = 0.98 A TRANSFORM 0.4688 -0.7359 -0.4885 -0.1175 -0.6001 0.7913 0.8755 0.3136 0.3678 -18.510 53.632 9.072 B 757 ASP B 89 ASP.? B 759 HIS B 87 HIS.? B 810 SER B 54 SER~? ULMNm 3 1bmt_c04 METHIONINE SYNTHASE (B12-BINDING DOMuser 7 3 RMSD = 1.00 A TRANSFORM 0.7972 -0.4523 0.3999 0.0484 0.7081 0.7044 0.6018 0.5422 -0.5864 62.893 99.060 13.996 A 757 ASP C 89 ASP.? A 759 HIS C 87 HIS.? A 810 SER C 54 SER~? ULMNm 3 1bmt_c05 METHIONINE SYNTHASE (B12-BINDING DOMuser 7 3 RMSD = 1.01 A TRANSFORM -0.8540 -0.4929 0.1667 0.0104 -0.3365 -0.9416 -0.5202 0.8024 -0.2925 -12.212 16.992 -14.514 B 757 ASP C 89 ASP.? B 759 HIS C 87 HIS.? B 810 SER C 54 SER~? ULMNm 3 1bmt_c04 METHIONINE SYNTHASE (B12-BINDING DOMuser 1 3 RMSD = 1.01 A TRANSFORM 0.9990 -0.0033 0.0453 0.0331 0.7368 -0.6753 0.0312 -0.6761 -0.7362 20.865 77.651 37.905 A 757 ASP A 89 ASP.? A 759 HIS A 87 HIS.? A 810 SER A 54 SER~? ULMNm 3 1bmt_c05 METHIONINE SYNTHASE (B12-BINDING DOMuser 1 3 RMSD = 1.02 A TRANSFORM -0.4271 0.3944 0.8136 -0.2340 -0.9174 0.3219 -0.8734 0.0529 -0.4841 -10.945 54.354 22.886 B 757 ASP A 89 ASP.? B 759 HIS A 87 HIS.? B 810 SER A 54 SER~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 1 3 RMSD = 1.04 A TRANSFORM 0.2463 0.9587 0.1421 0.0830 -0.1670 0.9825 -0.9656 0.2302 0.1207 26.189 14.939 59.546 A 194 SER A 99 SER~? A 292 ASP B 59 ASP.? A 322 HIS A 18 HIS.? ULMNm 3 1cns_c01 CHITINASE user 20 3 RMSD = 1.04 A TRANSFORM 0.5509 -0.1577 0.8195 -0.7033 0.4411 0.5576 0.4494 0.8835 -0.1321 70.669 1.189 46.210 B 67 GLU C 66 GLU~? B 89 GLU C 69 GLU~? B 120 SER C 54 SER~? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 14 3 RMSD = 1.06 A TRANSFORM 0.8209 -0.0171 0.5709 -0.3707 -0.7763 0.5099 -0.4344 0.6302 0.6436 0.530 53.754 108.122 B 130 SER B 0 SER~? B 166 PHE C 151 PHE~? B 182 PHE C 147 PHE~? ULMNm 3 1cns_c01 CHITINASE user 14 3 RMSD = 1.07 A TRANSFORM -0.6157 0.4250 -0.6636 0.7850 0.2566 -0.5639 0.0694 0.8681 0.4916 31.088 -13.122 57.210 B 67 GLU B 66 GLU~? B 89 GLU B 69 GLU~? B 120 SER B 54 SER~? ULMNm 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 5 3 RMSD = 1.07 A TRANSFORM 0.1957 0.3037 0.9325 -0.7390 -0.5793 0.3438 -0.6446 0.7564 -0.1111 14.793 91.021 33.896 A 225 HIS B 131 HIS~? A 259 TYR B 68 TYR~? A 552 ASP A 40 ASP.? ULMNm 3 1cns_c01 CHITINASE user 1 3 RMSD = 1.07 A TRANSFORM 0.8498 0.5141 -0.1163 -0.5255 0.8435 -0.1111 -0.0410 -0.1556 -0.9870 19.192 -2.684 57.964 B 67 GLU A 66 GLU~? B 89 GLU A 69 GLU~? B 120 SER A 54 SER~? ULMNm 3 2r11_o03 CARBOXYLESTERASE NP user 14 3 RMSD = 1.08 A TRANSFORM -0.3469 -0.3985 -0.8490 0.3704 0.7734 -0.5144 -0.8617 0.4929 0.1207 -54.625 47.701 40.808 D 130 SER B 0 SER~? D 166 PHE C 151 PHE~? D 182 PHE C 147 PHE~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.13 A TRANSFORM 0.0256 0.1897 -0.9815 -0.2149 -0.9578 -0.1908 0.9763 -0.2158 -0.0163 27.820 17.949 43.385 A 194 SER B 99 SER~? A 292 ASP A 59 ASP.? A 322 HIS B 18 HIS~? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 8 3 RMSD = 1.13 A TRANSFORM -0.7516 -0.5326 0.3891 0.0349 0.5570 0.8298 0.6587 -0.6372 0.4001 -33.913 54.483 1.871 B 114 HIS C 87 HIS.? B 197 ASP C 89 ASP.? B 223 ALA C 83 ALA.? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 3 3 RMSD = 1.14 A TRANSFORM 0.3402 -0.6456 -0.6838 0.1952 0.7598 -0.6202 -0.9199 -0.0775 -0.3845 -50.752 24.419 -25.543 B 114 HIS B 87 HIS.? B 197 ASP B 89 ASP.? B 223 ALA B 83 ALA.? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 8 3 RMSD = 1.15 A TRANSFORM 0.7611 0.5236 -0.3828 -0.1370 -0.4472 -0.8839 0.6340 -0.7252 0.2686 -59.553 -60.676 -7.206 A 114 HIS C 87 HIS.? A 197 ASP C 89 ASP.? A 223 ALA C 83 ALA.? ULMNm 3 1qrz_c21 PLASMINOGEN user 1 3 RMSD = 1.15 A TRANSFORM 0.0545 -0.5646 0.8236 -0.9626 0.1896 0.1936 0.2655 0.8033 0.5331 -8.877 -0.391 23.095 B 603 HIS C 131 HIS~? B 646 ASP C 89 ASP.? B 739 GLY C 80 GLY.? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 3 3 RMSD = 1.16 A TRANSFORM -0.3534 0.6448 0.6778 -0.0475 -0.7360 0.6754 -0.9343 -0.2065 -0.2907 -43.130 -26.589 -29.730 A 114 HIS B 87 HIS.? A 197 ASP B 89 ASP.? A 223 ALA B 83 ALA.? ULMNm 3 1cns_c01 CHITINASE user 3 3 RMSD = 1.16 A TRANSFORM 0.7955 0.0448 -0.6043 0.5108 0.4868 0.7086 -0.3259 0.8723 -0.3644 19.505 -21.205 64.103 B 67 GLU A 66 GLU~? B 89 GLU B 66 GLU~? B 120 SER A 70 SER~? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 14 3 RMSD = 1.18 A TRANSFORM -0.6323 0.3755 -0.6777 -0.4863 -0.8733 -0.0302 0.6031 -0.3104 -0.7348 -67.505 31.901 71.711 A 130 SER B 0 SER~? A 166 PHE C 151 PHE~? A 182 PHE C 147 PHE~? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 14 3 RMSD = 1.20 A TRANSFORM 0.0911 -0.0868 0.9921 0.4781 0.8777 0.0329 0.8736 -0.4713 -0.1214 20.729 69.570 57.114 C 130 SER B 0 SER~? C 166 PHE C 151 PHE~? C 182 PHE C 147 PHE~? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 5 3 RMSD = 1.20 A TRANSFORM 0.1708 0.4843 -0.8581 -0.0836 0.8749 0.4771 -0.9817 0.0098 -0.1899 -29.220 29.418 -23.469 B 114 HIS B 90 HIS~? B 197 ASP B 89 ASP.? B 223 ALA B 83 ALA.? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 10 3 RMSD = 1.21 A TRANSFORM -0.1368 0.2491 0.9588 0.5857 0.8009 -0.1245 0.7989 -0.5445 0.2555 7.971 20.240 -2.151 B 114 HIS C 90 HIS~? B 197 ASP C 89 ASP.? B 223 ALA C 83 ALA.? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 5 3 RMSD = 1.22 A TRANSFORM -0.1849 -0.4846 0.8550 0.2380 -0.8662 -0.4394 -0.9535 -0.1223 -0.2755 -64.649 -31.909 -28.164 A 114 HIS B 90 HIS~? A 197 ASP B 89 ASP.? A 223 ALA B 83 ALA.? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 10 3 RMSD = 1.22 A TRANSFORM 0.1479 -0.2574 -0.9549 -0.7049 -0.7047 0.0808 0.6938 -0.6611 0.2857 -101.525 -26.292 -5.130 A 114 HIS C 90 HIS~? A 197 ASP C 89 ASP.? A 223 ALA C 83 ALA.? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 1 3 RMSD = 1.23 A TRANSFORM -0.6699 0.4248 0.6089 -0.3670 0.5234 -0.7690 0.6454 0.7386 0.1948 39.897 90.799 2.988 B 194 SER A 99 SER~? B 292 ASP B 59 ASP.? B 322 HIS A 18 HIS.? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.26 A TRANSFORM 0.7056 -0.5661 -0.4263 0.5687 0.8112 -0.1360 -0.4228 0.1464 -0.8943 28.627 82.489 11.762 B 194 SER B 99 SER~? B 292 ASP A 59 ASP.? B 322 HIS B 18 HIS~? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 27 3 RMSD = 1.27 A TRANSFORM -0.7433 0.5761 -0.3400 -0.1048 -0.6023 -0.7914 0.6607 0.5526 -0.5080 -28.842 27.152 90.551 B 130 SER C 0 SER~? B 166 PHE B 151 PHE~? B 182 PHE B 147 PHE~? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 27 3 RMSD = 1.28 A TRANSFORM -0.1725 0.3439 -0.9230 0.0284 0.9384 0.3443 -0.9846 -0.0332 0.1716 -22.096 73.877 51.511 C 130 SER C 0 SER~? C 166 PHE B 151 PHE~? C 182 PHE B 147 PHE~? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 27 3 RMSD = 1.30 A TRANSFORM 0.7682 -0.2369 0.5948 -0.0193 -0.9372 -0.3483 -0.6399 -0.2561 0.7245 -31.205 27.566 95.094 A 130 SER C 0 SER~? A 166 PHE B 151 PHE~? A 182 PHE B 147 PHE~? ULMNm 3 1cns_c01 CHITINASE user 13 3 RMSD = 1.30 A TRANSFORM -0.6360 0.7698 -0.0530 -0.4589 -0.4326 -0.7761 0.6204 0.4693 -0.6284 31.994 -14.166 55.853 B 67 GLU B 66 GLU~? B 89 GLU A 66 GLU~? B 120 SER B 70 SER~? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.30 A TRANSFORM -0.8843 -0.3479 -0.3113 0.4504 -0.4602 -0.7651 -0.1229 0.8168 -0.5637 -27.639 -33.317 72.717 F 124 ALA B 24 ALA.? F 126 ARG B 30 ARG~? F 138 GLU B 23 GLU.? ULMNm 3 1emh_d00 HYDROLASE/DNA user 7 3 RMSD = 1.30 A TRANSFORM 0.5220 0.3559 -0.7751 -0.2718 -0.7920 -0.5467 0.8085 -0.4961 0.3167 -10.568 -26.403 47.660 A 271 PRO C 134 PRO~? A 272 LEU C 135 LEU~? A 276 ARG C 149 ARG~? ULMNm 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 2 3 RMSD = 1.32 A TRANSFORM -0.2592 -0.9149 -0.3095 0.5876 -0.4037 0.7013 0.7666 0.0001 -0.6422 13.333 79.866 22.212 A 225 HIS A 131 HIS~? A 259 TYR A 68 TYR~? A 552 ASP B 22 ASP.? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.32 A TRANSFORM 0.8215 -0.2721 -0.5012 -0.5555 -0.5803 -0.5955 0.1288 -0.7676 0.6278 -25.077 -37.723 12.991 C 124 ALA B 24 ALA.? C 126 ARG B 30 ARG~? C 138 GLU B 23 GLU.? ULMNm 3 1cns_c00 CHITINASE user 18 3 RMSD = 1.33 A TRANSFORM 0.2739 0.1343 -0.9523 -0.8827 -0.3582 -0.3043 0.3820 -0.9239 -0.0204 -76.007 -26.441 74.808 A 67 GLU C 66 GLU~? A 89 GLU C 69 GLU~? A 120 SER C 54 SER~? ULMNm 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 3 3 RMSD = 1.33 A TRANSFORM -0.1995 -0.7416 -0.6405 0.4724 -0.6455 0.6002 0.8585 0.1829 -0.4791 17.646 80.644 20.508 A 225 HIS A 131 HIS~? A 259 TYR A 68 TYR~? A 552 ASP B 40 ASP.? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.33 A TRANSFORM 0.0891 0.5928 0.8004 -0.9952 0.0194 0.0964 -0.0416 0.8051 -0.5917 38.004 2.262 71.638 D 124 ALA B 24 ALA.? D 126 ARG B 30 ARG~? D 138 GLU B 23 GLU.? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.33 A TRANSFORM -0.7004 0.6009 0.3853 0.6035 0.2102 0.7692 -0.3812 -0.7712 0.5098 -12.703 -46.816 16.565 C 124 ALA A 24 ALA.? C 126 ARG A 30 ARG~? C 138 GLU A 23 GLU.? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.33 A TRANSFORM 0.0646 0.5962 0.8002 0.9974 -0.0125 -0.0712 0.0324 -0.8027 0.5954 38.124 0.958 10.776 B 124 ALA B 24 ALA.? B 126 ARG B 30 ARG~? B 138 GLU B 23 GLU.? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.34 A TRANSFORM 0.8801 -0.0688 0.4698 -0.3029 0.6807 0.6670 0.3657 0.7293 -0.5782 -41.637 -27.016 69.316 F 124 ALA A 24 ALA.? F 126 ARG A 30 ARG~? F 138 GLU A 23 GLU.? ULMNm 3 1cns_c00 CHITINASE user 2 3 RMSD = 1.34 A TRANSFORM -0.9759 -0.0317 -0.2161 -0.1753 -0.4765 0.8615 0.1302 -0.8786 -0.4594 -21.191 -10.274 61.370 A 67 GLU A 66 GLU~? A 89 GLU B 66 GLU~? A 120 SER A 70 SER~? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.34 A TRANSFORM 0.8256 -0.2606 -0.5005 0.5472 0.5863 0.5973 -0.1378 0.7671 -0.6266 -24.787 40.546 69.238 E 124 ALA B 24 ALA.? E 126 ARG B 30 ARG~? E 138 GLU B 23 GLU.? ULMNm 3 1cns_c00 CHITINASE user 12 3 RMSD = 1.34 A TRANSFORM -0.0956 -0.1278 0.9872 0.6011 -0.7979 -0.0451 -0.7935 -0.5890 -0.1531 -36.692 -11.161 64.164 A 67 GLU B 66 GLU~? A 89 GLU B 69 GLU~? A 120 SER B 54 SER~? ULMNm 3 1cns_c00 CHITINASE user 1 3 RMSD = 1.34 A TRANSFORM -0.2186 -0.9522 -0.2135 -0.7031 0.0020 0.7111 0.6766 -0.3056 0.6699 -35.609 -0.543 52.463 A 67 GLU A 66 GLU~? A 89 GLU A 69 GLU~? A 120 SER A 54 SER~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 11 3 RMSD = 1.35 A TRANSFORM 0.2242 0.4655 0.8562 -0.9227 0.3841 0.0328 0.3136 0.7974 -0.5156 35.990 -4.267 -13.175 141 ASP C 155 ASP~? 166 GLY C 53 GLY~? 169 GLU C 69 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.36 A TRANSFORM 0.3521 0.7659 -0.5379 -0.8914 0.4496 0.0567 -0.2853 -0.4595 -0.8411 -0.126 19.326 17.678 141 ASP A 155 ASP~? 166 GLY A 53 GLY~? 169 GLU A 69 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 10 3 RMSD = 1.37 A TRANSFORM 0.7041 0.3963 0.5892 0.1359 0.7392 -0.6596 0.6969 -0.5445 -0.4667 34.145 -14.470 -3.584 141 ASP C 155 ASP~? 166 GLY C 53 GLY~? 169 GLU C 50 GLU.? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.37 A TRANSFORM 0.9809 0.1590 -0.1121 -0.1052 -0.0510 -0.9931 0.1637 -0.9860 0.0333 66.634 55.354 53.158 B 550 GLN A 124 GLN~? B 591 LEU A 159 LEU~? B 633 GLU A 105 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.37 A TRANSFORM 0.6580 0.3274 -0.6781 -0.4696 -0.5255 -0.7094 0.5886 -0.7853 0.1921 -0.522 25.658 -5.234 141 ASP A 155 ASP~? 166 GLY A 53 GLY~? 169 GLU A 50 GLU.? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.37 A TRANSFORM -0.1920 -0.5227 -0.8306 0.9354 -0.3537 0.0063 0.2971 0.7757 -0.5568 39.961 -13.670 69.238 D 124 ALA A 24 ALA.? D 126 ARG A 30 ARG~? D 138 GLU A 23 GLU.? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.38 A TRANSFORM -0.7093 0.6018 0.3670 -0.5859 -0.2139 -0.7816 0.3918 0.7695 -0.5043 -11.986 49.591 65.301 E 124 ALA A 24 ALA.? E 126 ARG A 30 ARG~? E 138 GLU A 23 GLU.? ULMNm 3 1c54_c00 RIBONUCLEASE SA user 2 3 RMSD = 1.38 A TRANSFORM -0.7275 -0.2560 0.6366 -0.6159 -0.1653 -0.7703 -0.3025 0.9524 0.0374 -9.285 -7.126 9.939 A 54 GLU B 85 GLU.? A 65 ARG B 49 ARG~? A 85 HIS B 90 HIS~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.39 A TRANSFORM -0.4458 0.8582 -0.2545 0.3492 0.4286 0.8333 -0.8242 -0.2826 0.4908 8.542 19.248 6.497 141 ASP B 155 ASP~? 166 GLY B 53 GLY~? 169 GLU B 50 GLU.? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.39 A TRANSFORM -0.8517 0.3397 -0.3989 0.1392 0.8807 0.4527 -0.5051 -0.3301 0.7974 81.369 53.513 57.862 B 550 GLN B 124 GLN~? B 591 LEU B 159 LEU~? B 633 GLU B 105 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.39 A TRANSFORM -0.0291 0.7972 -0.6030 0.9823 -0.0888 -0.1649 0.1850 0.5972 0.7805 3.089 4.219 14.044 141 ASP B 155 ASP~? 166 GLY B 53 GLY~? 169 GLU B 69 GLU~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 11 3 RMSD = 1.40 A TRANSFORM -0.2812 -0.6375 0.7173 -0.9528 0.0964 -0.2878 -0.1143 0.7644 0.6345 75.859 62.643 131.117 A 50 ASP B 89 ASP.? A 327 GLU A 34 GLU~? A 339 ARG A 30 ARG~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.40 A TRANSFORM 0.9972 -0.0593 -0.0454 0.0744 0.7372 0.6716 0.0064 0.6731 -0.7395 15.866 45.917 73.649 A 50 GLN A 124 GLN~? A 91 LEU A 159 LEU~? A 133 GLU A 105 GLU~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 16 3 RMSD = 1.41 A TRANSFORM -0.5638 0.2852 0.7751 0.3802 0.9227 -0.0630 0.7331 -0.2592 0.6287 94.184 59.578 150.622 A 50 ASP C 150 ASP~? A 327 GLU B 50 GLU.? A 339 ARG B 52 ARG~? ULMNm 3 1h19_c00 LEUKOTRIENE A-4 HYDROLASE user 9 3 RMSD = 1.41 A TRANSFORM 0.8829 -0.3121 -0.3508 0.4223 0.2012 0.8839 0.2053 0.9285 -0.3094 29.600 32.658 -6.860 A 271 GLN C 124 GLN~? A 296 GLU C 105 GLU~? A 383 TYR C 158 TYR~? ULMNm 3 1h19_c00 LEUKOTRIENE A-4 HYDROLASE user 3 3 RMSD = 1.42 A TRANSFORM 0.7282 -0.6843 -0.0384 0.6265 0.6873 -0.3675 -0.2779 -0.2436 -0.9292 21.348 -13.216 17.560 A 271 GLN A 124 GLN~? A 296 GLU A 105 GLU~? A 383 TYR A 158 TYR~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.42 A TRANSFORM 0.2549 -0.0536 0.9655 -0.9666 0.0147 0.2560 0.0279 0.9985 0.0480 29.395 63.551 65.620 A 50 GLN A 124 GLN~? A 91 LEU A 159 LEU~? A 133 GLU A 105 GLU~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.42 A TRANSFORM -0.5702 -0.0984 0.8156 -0.8171 -0.0352 -0.5754 -0.0853 0.9945 0.0603 74.220 58.128 44.456 C1050 GLN A 124 GLN~? C1091 LEU A 159 LEU~? C1133 GLU A 105 GLU~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.42 A TRANSFORM -0.9484 0.2086 -0.2388 0.1526 -0.3600 -0.9204 0.2780 0.9093 -0.3096 31.355 45.667 72.022 A 50 GLN B 124 GLN~? A 91 LEU B 159 LEU~? A 133 GLU B 105 GLU~? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 2 3 RMSD = 1.43 A TRANSFORM 0.4983 -0.5882 -0.6370 -0.8643 -0.3949 -0.3114 0.0684 -0.7057 0.7052 -39.597 62.023 67.646 A 130 SER A 13 SER.? A 166 PHE A 81 PHE.? A 182 PHE A 127 PHE~? ULMNm 3 2odj_o01 PORIN D user 1 3 RMSD = 1.43 A TRANSFORM -0.2110 0.4858 -0.8482 0.4217 0.8281 0.3694 -0.8819 0.2798 0.3795 2.677 -18.482 89.105 B 156 HIS A 125 HIS~? B 208 ASP B 59 ASP.? B 296 SER A 84 SER.? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.43 A TRANSFORM -0.3143 -0.8621 -0.3975 0.8915 -0.4119 0.1885 0.3263 0.2951 -0.8980 33.761 48.703 63.872 A 50 GLN B 124 GLN~? A 91 LEU B 159 LEU~? A 133 GLU B 105 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.43 A TRANSFORM -0.0604 -0.3676 0.9280 -0.9977 -0.0074 -0.0679 -0.0318 0.9300 0.3663 72.281 44.621 164.926 F 141 GLY C 37 GLY.? F 144 GLU C 38 GLU.? F 164 GLU C 34 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.43 A TRANSFORM -0.5137 0.4877 0.7059 0.8219 0.0437 0.5679 -0.2461 -0.8719 0.4233 59.078 136.121 134.699 C 141 GLY C 37 GLY.? C 144 GLU C 38 GLU.? C 164 GLU C 34 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.44 A TRANSFORM 0.4428 -0.6473 -0.6205 -0.8179 -0.0081 -0.5753 -0.3673 -0.7622 0.5330 82.688 49.195 131.223 D 141 GLY C 37 GLY.? D 144 GLU C 38 GLU.? D 164 GLU C 34 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 8 3 RMSD = 1.44 A TRANSFORM -0.3446 -0.9030 0.2566 -0.6288 0.0190 -0.7773 -0.6970 0.4292 0.5744 -2.346 50.333 150.243 A 70 ALA A 130 ALA~? A 126 LEU A 132 LEU~? A 158 GLU A 94 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.44 A TRANSFORM -0.3211 0.9193 -0.2277 0.8867 0.2073 -0.4134 0.3328 0.3346 0.8816 45.047 94.170 105.536 C 141 GLY A 37 GLY.? C 144 GLU A 38 GLU.? C 164 GLU A 34 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.44 A TRANSFORM 0.3643 -0.8409 0.4002 -0.9010 -0.2096 0.3798 0.2355 0.4990 0.8340 91.536 92.002 101.280 D 141 GLY A 37 GLY.? D 144 GLU A 38 GLU.? D 164 GLU A 34 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.44 A TRANSFORM 0.4885 0.8053 0.3359 -0.8353 0.3203 0.4468 -0.2522 0.4989 -0.8291 24.579 67.679 164.270 F 141 GLY A 37 GLY.? F 144 GLU A 38 GLU.? F 164 GLU A 34 GLU~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.44 A TRANSFORM 0.4482 -0.8927 -0.0467 0.7839 0.3674 0.5005 0.4296 0.2610 -0.8645 65.920 45.417 40.974 C1050 GLN B 124 GLN~? C1091 LEU B 159 LEU~? C1133 GLU B 105 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 8 3 RMSD = 1.44 A TRANSFORM -0.3844 0.4752 -0.7914 0.5468 0.8080 0.2195 -0.7438 0.3484 0.5705 18.873 -17.225 152.005 C 70 ALA A 130 ALA~? C 126 LEU A 132 LEU~? C 158 GLU A 94 GLU~? ULMNm 3 1h19_c00 LEUKOTRIENE A-4 HYDROLASE user 6 3 RMSD = 1.44 A TRANSFORM -0.9080 -0.0350 0.4175 -0.3298 0.6743 -0.6607 0.2584 0.7377 0.6238 34.589 -5.434 13.522 A 271 GLN B 124 GLN~? A 296 GLU B 105 GLU~? A 383 TYR B 158 TYR~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.44 A TRANSFORM 0.6289 0.4312 -0.6470 -0.7293 0.6156 -0.2985 -0.2696 -0.6596 -0.7016 37.769 107.418 110.081 C 141 GLY B 37 GLY.? C 144 GLU B 38 GLU.? C 164 GLU B 34 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.44 A TRANSFORM -0.6568 -0.5605 0.5045 0.7446 -0.5877 0.3165 -0.1191 -0.5835 -0.8033 99.330 78.529 103.899 D 141 GLY B 37 GLY.? D 144 GLU B 38 GLU.? D 164 GLU B 34 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.44 A TRANSFORM -0.2139 0.0223 -0.9766 0.8561 -0.4772 -0.1984 0.4704 0.8785 -0.0830 30.310 53.956 158.972 F 141 GLY B 37 GLY.? F 144 GLU B 38 GLU.? F 164 GLU B 34 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 8 3 RMSD = 1.45 A TRANSFORM 0.6507 0.4710 0.5956 0.0078 -0.7885 0.6150 -0.7593 0.3955 0.5167 -50.182 -1.706 153.863 B 70 ALA A 130 ALA~? B 126 LEU A 132 LEU~? B 158 GLU A 94 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 14 3 RMSD = 1.45 A TRANSFORM -0.0246 -0.5650 0.8247 0.6656 0.6063 0.4352 0.7459 -0.5596 -0.3611 -5.112 40.063 138.416 A 70 ALA B 130 ALA~? A 126 LEU B 132 LEU~? A 158 GLU B 94 GLU~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 4 3 RMSD = 1.45 A TRANSFORM 0.0026 -0.9150 0.4035 0.9681 0.1034 0.2283 0.2506 -0.3900 -0.8861 73.212 45.371 127.163 A 50 ASP A 89 ASP.? A 327 GLU B 34 GLU~? A 339 ARG B 30 ARG~? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 16 3 RMSD = 1.45 A TRANSFORM -0.6173 0.5009 0.6066 0.7080 0.0176 0.7060 -0.3430 -0.8653 0.3655 -30.612 49.514 70.801 A 130 SER B 13 SER~? A 166 PHE B 81 PHE.? A 182 PHE B 127 PHE~? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 2 3 RMSD = 1.45 A TRANSFORM -0.4250 0.9047 0.0291 0.8666 0.3974 0.3019 -0.2616 -0.1535 0.9529 2.114 39.622 35.661 C 130 SER A 13 SER.? C 166 PHE A 81 PHE.? C 182 PHE A 127 PHE~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.45 A TRANSFORM 0.1515 -0.9225 -0.3551 0.6365 0.3659 -0.6790 -0.7563 0.1231 -0.6425 28.972 20.714 -1.658 A 465 GLY A 37 GLY.? A 501 ASP A 22 ASP.? B 367 TYR A 160 TYR~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 15 3 RMSD = 1.45 A TRANSFORM 0.6015 0.7978 -0.0417 -0.2428 0.1328 -0.9609 0.7611 -0.5881 -0.2736 11.157 -10.800 139.670 C 70 ALA B 130 ALA~? C 126 LEU B 132 LEU~? C 158 GLU B 94 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 14 3 RMSD = 1.46 A TRANSFORM -0.4946 -0.2934 -0.8181 -0.3458 -0.7971 0.4950 0.7974 -0.5277 -0.2928 -41.015 0.898 141.128 B 70 ALA B 130 ALA~? B 126 LEU B 132 LEU~? B 158 GLU B 94 GLU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.46 A TRANSFORM 0.0665 0.5030 -0.8617 0.9962 0.0145 0.0854 -0.0554 0.8641 0.5002 75.634 140.824 163.971 B 141 GLY C 37 GLY.? B 144 GLU C 38 GLU.? B 164 GLU C 34 GLU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.46 A TRANSFORM -0.5110 -0.7249 -0.4619 0.8386 -0.3026 -0.4529 -0.1886 0.6188 -0.7626 122.427 117.103 156.513 B 141 GLY A 37 GLY.? B 144 GLU A 38 GLU.? B 164 GLU A 34 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 21 3 RMSD = 1.46 A TRANSFORM -0.0318 -0.2286 -0.9730 -0.1899 0.9572 -0.2186 -0.9813 -0.1778 0.0739 -43.851 20.287 136.599 A 70 ALA C 130 ALA~? A 126 LEU C 132 LEU~? A 158 GLU C 94 GLU~? ULMNm 3 1cns_c01 CHITINASE user 11 3 RMSD = 1.46 A TRANSFORM -0.6479 0.7461 0.1536 0.7562 0.6542 0.0118 0.0917 -0.1238 0.9881 29.237 -9.412 71.117 B 67 GLU B 34 GLU~? B 89 GLU C 103 GLU~? B 120 SER C 107 SER~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.46 A TRANSFORM 0.4660 0.8847 0.0093 -0.8325 0.4421 -0.3339 0.2995 -0.1479 -0.9426 105.183 55.609 159.055 E 141 GLY C 37 GLY.? E 144 GLU C 38 GLU.? E 164 GLU C 34 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.47 A TRANSFORM 0.0214 -0.0240 -0.9995 -0.9957 0.0895 -0.0235 -0.0900 -0.9957 0.0220 110.204 95.139 193.984 E 141 GLY A 37 GLY.? E 144 GLU A 38 GLU.? E 164 GLU A 34 GLU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.47 A TRANSFORM 0.2720 0.1153 0.9554 -0.8528 0.4889 0.1838 0.4459 0.8647 -0.2313 116.126 130.834 151.936 B 141 GLY B 37 GLY.? B 144 GLU B 38 GLU.? B 164 GLU B 34 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 22 3 RMSD = 1.47 A TRANSFORM -0.1656 0.9400 0.2982 0.0322 -0.2971 0.9543 -0.9857 -0.1676 -0.0189 13.358 32.284 133.835 C 70 ALA C 130 ALA~? C 126 LEU C 132 LEU~? C 158 GLU C 94 GLU~? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 16 3 RMSD = 1.47 A TRANSFORM 0.6933 0.1780 -0.6983 -0.7087 -0.0075 -0.7055 0.1309 -0.9840 -0.1210 -6.789 52.158 32.378 C 130 SER B 13 SER~? C 166 PHE B 81 PHE.? C 182 PHE B 127 PHE~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.47 A TRANSFORM 0.6303 0.2565 -0.7328 -0.3567 -0.7426 -0.5668 0.6896 -0.6186 0.3765 30.607 32.895 -11.389 A 229 ALA A 123 ALA~? A 257 ALA A 122 ALA~? A 328 ASP B 59 ASP.? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.47 A TRANSFORM 0.0512 0.9304 0.3630 0.9662 -0.1381 0.2175 -0.2525 -0.3396 0.9060 110.413 79.384 194.994 E 141 GLY B 37 GLY.? E 144 GLU B 38 GLU.? E 164 GLU B 34 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 21 3 RMSD = 1.47 A TRANSFORM 0.0906 -0.7288 0.6787 0.0578 -0.6765 -0.7341 -0.9942 -0.1058 0.0192 -4.869 -22.860 136.229 B 70 ALA C 130 ALA~? B 126 LEU C 132 LEU~? B 158 GLU C 94 GLU~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 3 3 RMSD = 1.47 A TRANSFORM 0.7970 -0.2588 0.5457 0.3629 0.9274 -0.0902 0.4828 -0.2700 -0.8331 112.347 43.228 29.211 B 550 GLN C 124 GLN~? B 591 LEU C 159 LEU~? B 633 GLU C 105 GLU~? ULMNm 3 2r11_o03 CARBOXYLESTERASE NP user 2 3 RMSD = 1.48 A TRANSFORM -0.1060 -0.9737 -0.2015 0.9539 -0.1568 0.2558 0.2806 0.1651 -0.9455 -22.536 32.255 61.612 D 130 SER A 13 SER.? D 166 PHE A 81 PHE.? D 182 PHE A 127 PHE~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.48 A TRANSFORM -0.4341 -0.8570 0.2778 -0.4977 0.4852 0.7189 0.7509 -0.1738 0.6371 41.652 43.727 -63.150 D 465 GLY A 37 GLY.? D 501 ASP A 22 ASP.? E 367 TYR A 160 TYR~? ULMNm 3 2r11_o03 CARBOXYLESTERASE NP user 16 3 RMSD = 1.49 A TRANSFORM -0.2012 -0.1310 0.9707 -0.9684 -0.1228 -0.2173 -0.1476 0.9838 0.1021 -21.743 47.527 65.147 D 130 SER B 13 SER~? D 166 PHE B 81 PHE.? D 182 PHE B 127 PHE~? ULMNm 3 1c54_c00 RIBONUCLEASE SA user 4 3 RMSD = 1.49 A TRANSFORM 0.7006 -0.3629 -0.6145 0.2557 -0.6762 0.6909 0.6662 0.6411 0.3809 -25.818 29.688 24.040 A 54 GLU C 85 GLU.? A 65 ARG C 49 ARG~? A 85 HIS C 90 HIS~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 5 3 RMSD = 1.49 A TRANSFORM 0.3527 0.6278 -0.6939 0.9086 -0.0523 0.4145 -0.2239 0.7766 0.5888 -2.617 5.267 19.161 141 ASP B 150 ASP~? 166 GLY B 53 GLY~? 169 GLU B 69 GLU~? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 16 3 RMSD = 1.49 A TRANSFORM 0.2507 -0.5353 -0.8066 0.9679 0.1240 0.2186 0.0170 0.8355 -0.5492 -40.287 54.081 105.395 B 130 SER B 13 SER~? B 166 PHE B 81 PHE.? B 182 PHE B 127 PHE~? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 29 3 RMSD = 1.50 A TRANSFORM 0.9140 0.2439 -0.3242 -0.4055 0.5752 -0.7104 -0.0132 -0.7808 -0.6246 -40.672 11.606 51.823 A 130 SER C 13 SER~? A 166 PHE C 81 PHE.? A 182 PHE C 127 PHE~? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 2 3 RMSD = 1.50 A TRANSFORM -0.1021 0.6369 0.7642 -0.9538 0.1555 -0.2571 0.2826 0.7551 -0.5916 -37.370 69.345 103.212 B 130 SER A 13 SER.? B 166 PHE A 81 PHE.? B 182 PHE A 127 PHE~?