*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 2wwy_d00 HYDROLASE/DNA user 2 4 RMSD = 1.32 A TRANSFORM -0.3376 -0.9192 -0.2028 -0.2889 -0.1039 0.9517 0.8959 -0.3799 0.2305 10.607 2.240 15.929 B 562 THR A 147 THR~? B 563 ALA A 146 ALA~? B 564 TYR A 142 TYR~? B 565 ALA A 143 ALA~? ULMNm 4 1pix_c02 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 3 4 RMSD = 1.48 A TRANSFORM -0.8609 0.1687 -0.4799 0.3480 -0.4928 -0.7975 0.3710 0.8537 -0.3656 48.107 149.385 16.732 A 457 ALA A 143 ALA~? A 458 ALA A 146 ALA~? B 193 ALA A 140 ALA~? B 194 GLY A 209 GLY~? ULMNm 4 1pix_c03 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 3 4 RMSD = 1.49 A TRANSFORM 0.6648 -0.5672 0.4861 -0.5570 0.0572 0.8285 0.4978 0.8216 0.2779 65.757 71.053 1.432 A 193 ALA A 140 ALA~? A 194 GLY A 209 GLY~? B 457 ALA A 143 ALA~? B 458 ALA A 146 ALA~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 0.76 A TRANSFORM 0.2581 0.9126 0.3171 -0.0172 -0.3238 0.9460 -0.9660 0.2496 0.0679 8.192 -76.315 -139.890 A 183 GLY A 139 GLY~? B 419 GLY A 209 GLY~? B 420 ALA A 208 ALA~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 4 3 RMSD = 0.77 A TRANSFORM 0.1853 -0.9787 -0.0885 -0.3693 0.0141 -0.9292 -0.9107 -0.2048 0.3588 43.566 -55.648 -137.012 A 183 GLY A 139 GLY~? B 419 GLY A 209 GLY~? B 420 ALA A 212 ALA~? ULMNm 3 2dbt_c02 CHITINASE C user 3 3 RMSD = 0.97 A TRANSFORM 0.5463 -0.0815 -0.8336 -0.3243 0.8970 -0.3003 -0.7722 -0.4344 -0.4637 58.372 21.123 35.226 C 147 GLU A 187 GLU~? C 156 GLU A 181 GLU~? C 194 ASN A 80 ASN~? ULMNm 3 2dbt_c00 CHITINASE C user 3 3 RMSD = 1.04 A TRANSFORM -0.8274 -0.0206 0.5612 0.1201 -0.9827 0.1410 -0.5486 -0.1840 -0.8156 66.345 30.174 32.605 A 147 GLU A 187 GLU~? A 156 GLU A 181 GLU~? A 194 ASN A 80 ASN~? ULMNm 3 2dbt_c01 CHITINASE C user 2 3 RMSD = 1.10 A TRANSFORM 0.9748 0.0768 -0.2096 0.1485 -0.9242 0.3518 0.1667 0.3741 0.9123 44.055 71.653 -10.727 B 147 GLU A 187 GLU~? B 156 GLU A 181 GLU~? B 194 ASN A 80 ASN~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 2 3 RMSD = 1.10 A TRANSFORM -0.5034 -0.6215 0.6003 0.6205 0.2235 0.7517 0.6013 -0.7509 -0.2731 -13.612 -37.636 -2.236 14 ASP A 180 ASP~? 16 HIS A 178 HIS~? 67 GLY A 165 GLY~? ULMNm 3 1coy_c00 CHOLESTEROL OXIDASE (E.C.1.1.3.6) COuser 1 3 RMSD = 1.11 A TRANSFORM 0.5147 0.3217 -0.7947 -0.1767 0.9468 0.2688 -0.8389 -0.0021 -0.5442 -7.874 4.006 45.062 361 GLU A 76 GLU~? 447 HIS A 186 HIS~? 485 ASN A 80 ASN~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.16 A TRANSFORM -0.6002 -0.0005 0.7998 0.7069 0.4675 0.5308 0.3742 -0.8840 0.2802 31.292 -9.123 -0.862 A 67 ASP A 100 ASP~? A 68 ALA A 99 ALA~? A 72 LEU A 102 LEU~? ULMNm 3 1e7l_c01 RECOMBINATION ENDONUCLEASE VII user 1 3 RMSD = 1.19 A TRANSFORM -0.7149 -0.4435 0.5406 -0.5324 0.8464 -0.0096 0.4533 0.2947 0.8413 15.318 22.889 7.813 B 41 HIS A 178 HIS~? B 43 HIS A 94 HIS~? B 65 GLU A 83 GLU~? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.21 A TRANSFORM -0.3117 0.2199 -0.9244 0.2412 0.9593 0.1469 -0.9191 0.1772 0.3520 1.418 49.836 125.158 A 1 ALA A 74 ALA~? A 74 ASN A 71 ASN~? A 75 GLY A 69 GLY~? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.21 A TRANSFORM -0.4599 0.8127 -0.3576 -0.5464 0.0584 0.8355 -0.6999 -0.5797 -0.4172 34.337 14.422 40.077 B 1 ALA A 74 ALA~? B 74 ASN A 71 ASN~? B 75 GLY A 69 GLY~? ULMNm 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.22 A TRANSFORM -0.3384 -0.3637 0.8679 0.6048 -0.7906 -0.0955 -0.7209 -0.4926 -0.4875 -10.534 47.404 128.510 D 1 ALA A 74 ALA~? D 74 ASN A 71 ASN~? D 75 GLY A 69 GLY~? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.25 A TRANSFORM -0.1941 -0.9291 0.3149 -0.3184 -0.2439 -0.9160 -0.9279 0.2781 0.2485 26.569 23.511 38.332 C 1 ALA A 74 ALA~? C 74 ASN A 71 ASN~? C 75 GLY A 69 GLY~? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 1 3 RMSD = 1.25 A TRANSFORM -0.0447 -0.6618 -0.7483 0.0627 -0.7494 0.6591 0.9970 0.0175 -0.0750 18.016 -11.486 -3.734 A 50 HIS A 94 HIS~? A 96 GLU A 84 GLU~? A 137 HIS A 186 HIS~? ULMNm 3 1aj8_c00 CITRATE SYNTHASE user 2 3 RMSD = 1.27 A TRANSFORM -0.1755 0.5232 -0.8339 -0.5586 0.6446 0.5220 -0.8107 -0.5574 -0.1791 50.458 24.654 84.211 A 223 HIS A 178 HIS~? A 262 HIS A 186 HIS~? A 312 ASP A 180 ASP~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.28 A TRANSFORM -0.6286 -0.7717 -0.0967 -0.1785 0.0221 0.9837 0.7570 -0.6356 0.1516 98.721 39.257 52.444 B 550 GLN A 78 GLN~? B 591 LEU A 77 LEU~? B 633 GLU A 59 GLU~? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.28 A TRANSFORM -0.2765 0.9311 -0.2380 -0.9602 -0.2778 0.0288 0.0392 -0.2365 -0.9708 -1.703 -3.599 86.342 E 124 ALA A 118 ALA~? E 126 ARG A 124 ARG~? E 138 GLU A 227 GLU~? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.28 A TRANSFORM -0.2638 0.9367 -0.2301 0.9641 0.2632 -0.0340 -0.0287 0.2308 0.9726 -1.667 6.362 -4.036 C 124 ALA A 118 ALA~? C 126 ARG A 124 ARG~? C 138 GLU A 227 GLU~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.29 A TRANSFORM 0.5732 0.4805 -0.6638 0.2598 0.6617 0.7033 -0.7772 0.5755 -0.2545 64.808 23.771 48.968 C1050 GLN A 78 GLN~? C1091 LEU A 77 LEU~? C1133 GLU A 59 GLU~? ULMNm 3 1chm_c01 CREATINE AMIDINOHYDROLASE (E.C.3.5.3user 3 3 RMSD = 1.29 A TRANSFORM -0.5127 -0.8498 -0.1220 0.4073 -0.1157 -0.9059 -0.7558 0.5142 -0.4055 60.453 92.095 58.032 B 232 HIS A 186 HIS~? B 262 GLU A 76 GLU~? B 358 GLU A 79 GLU~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 8 3 RMSD = 1.29 A TRANSFORM 0.6897 -0.0401 0.7229 0.7167 -0.1041 -0.6896 -0.1029 -0.9938 0.0430 37.048 45.479 25.138 A 229 ALA A 208 ALA~? A 257 ALA A 207 ALA~? A 328 ASP A 135 ASP~? ULMNm 3 1aj8_c01 CITRATE SYNTHASE user 2 3 RMSD = 1.29 A TRANSFORM -0.7431 0.2743 -0.6103 0.4289 -0.5048 -0.7491 0.5136 0.8185 -0.2575 45.368 47.487 89.725 B 223 HIS A 178 HIS~? B 262 HIS A 186 HIS~? B 312 ASP A 180 ASP~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.30 A TRANSFORM 0.6724 0.4520 0.5861 -0.2851 -0.5726 0.7687 -0.6831 0.6840 0.2562 13.685 -71.185 -147.664 A 183 GLY A 139 GLY~? B 419 GLY A 209 GLY~? B 420 ALA A 207 ALA~? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 2 3 RMSD = 1.30 A TRANSFORM 0.6218 -0.4592 -0.6345 -0.2363 0.6623 -0.7110 -0.7467 -0.5920 -0.3033 53.659 24.946 71.472 412 GLU A 83 GLU~? 516 HIS A 178 HIS~? 559 HIS A 186 HIS~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.30 A TRANSFORM 0.1895 -0.2021 -0.9609 0.5127 0.8549 -0.0787 -0.8374 0.4778 -0.2656 49.378 34.852 73.773 A 50 GLN A 78 GLN~? A 91 LEU A 77 LEU~? A 133 GLU A 59 GLU~? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.30 A TRANSFORM -0.6966 -0.6892 0.1996 -0.7136 0.6945 -0.0921 0.0751 0.2066 0.9755 -12.625 -2.678 -3.279 B 124 ALA A 118 ALA~? B 126 ARG A 124 ARG~? B 138 GLU A 227 GLU~? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.30 A TRANSFORM -0.7006 -0.6858 0.1972 0.7107 -0.6953 0.1069 -0.0638 -0.2151 -0.9745 -12.620 4.741 85.657 D 124 ALA A 118 ALA~? D 126 ARG A 124 ARG~? D 138 GLU A 227 GLU~? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.30 A TRANSFORM 0.9766 -0.2114 0.0391 0.2137 0.9341 -0.2859 -0.0239 -0.2876 -0.9575 0.727 9.096 85.706 F 124 ALA A 118 ALA~? F 126 ARG A 124 ARG~? F 138 GLU A 227 GLU~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.31 A TRANSFORM -0.5666 -0.8240 0.0010 0.6082 -0.4190 -0.6742 -0.5560 0.3814 -0.7385 51.825 -96.846 -132.587 A 420 ALA A 74 ALA~? B 182 GLY A 67 GLY~? B 183 GLY A 69 GLY~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.32 A TRANSFORM 0.9726 0.0586 -0.2251 0.0093 0.9571 0.2895 -0.2324 0.2836 -0.9304 -7.941 13.987 159.231 A 70 ALA A 188 ALA~? A 126 LEU A 190 LEU~? A 158 GLU A 76 GLU~? ULMNm 3 1rtu_c00 RIBONUCLEASE U2 user 1 3 RMSD = 1.33 A TRANSFORM 0.7575 -0.4338 0.4878 0.6262 0.6941 -0.3551 0.1845 -0.5745 -0.7975 -3.044 26.959 28.044 41 HIS A 94 HIS~? 62 GLU A 84 GLU~? 101 HIS A 186 HIS~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.33 A TRANSFORM -0.5138 -0.8283 -0.2234 0.8364 -0.4258 -0.3452 -0.1908 0.3643 -0.9115 -15.206 11.625 159.562 B 70 ALA A 188 ALA~? B 126 LEU A 190 LEU~? B 158 GLU A 76 GLU~? ULMNm 3 2isd_c00 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 1 3 RMSD = 1.34 A TRANSFORM 0.1843 -0.9415 -0.2822 -0.8156 -0.3067 0.4907 0.5485 -0.1397 0.8244 133.886 38.513 -0.420 A 311 HIS A 186 HIS~? A 341 GLU A 83 GLU~? A 356 HIS A 178 HIS~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.34 A TRANSFORM -0.4817 0.8059 0.3441 -0.8649 -0.5005 -0.0385 -0.1412 0.3162 -0.9381 -9.631 6.582 159.334 C 70 ALA A 188 ALA~? C 126 LEU A 190 LEU~? C 158 GLU A 76 GLU~? ULMNm 3 1chm_c00 CREATINE AMIDINOHYDROLASE (E.C.3.5.3user 3 3 RMSD = 1.35 A TRANSFORM 0.7822 0.5582 0.2767 -0.3831 0.0806 0.9202 -0.4914 0.8258 -0.2768 8.303 45.649 45.772 A 232 HIS A 186 HIS~? A 262 GLU A 76 GLU~? A 358 GLU A 79 GLU~? ULMNm 3 1qrz_c21 PLASMINOGEN user 2 3 RMSD = 1.35 A TRANSFORM 0.4106 0.3258 -0.8516 -0.1470 0.9454 0.2908 -0.8999 -0.0058 -0.4361 -33.269 -6.928 15.508 B 603 HIS A 178 HIS~? B 646 ASP A 180 ASP~? B 739 GLY A 90 GLY~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.36 A TRANSFORM -0.3919 0.7027 0.5938 0.8108 0.5689 -0.1381 0.4348 -0.4273 0.7927 41.469 8.178 -10.235 A 67 ASP A 100 ASP~? A 68 ALA A 99 ALA~? A 72 LEU A 98 LEU~? ULMNm 3 2isd_c01 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 1 3 RMSD = 1.38 A TRANSFORM -0.3976 -0.5189 -0.7567 -0.7647 -0.2684 0.5858 0.5071 -0.8116 0.2901 100.727 37.034 -28.110 B 311 HIS A 186 HIS~? B 341 GLU A 83 GLU~? B 356 HIS A 178 HIS~? ULMNm 3 1qrz_c22 PLASMINOGEN user 2 3 RMSD = 1.39 A TRANSFORM 0.9782 0.1373 0.1559 0.1730 -0.9539 -0.2451 -0.1150 -0.2667 0.9569 -12.554 -0.699 -12.322 C 603 HIS A 178 HIS~? C 646 ASP A 180 ASP~? C 739 GLY A 90 GLY~? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 1 3 RMSD = 1.40 A TRANSFORM 0.4408 0.7320 -0.5195 0.2893 -0.6637 -0.6898 0.8497 -0.1538 0.5043 47.094 26.862 34.093 412 GLU A 83 GLU~? 516 HIS A 178 HIS~? 559 HIS A 94 HIS~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.40 A TRANSFORM -0.3744 -0.3167 -0.8715 -0.8826 0.4099 0.2302 -0.2843 -0.8554 0.4330 48.107 18.596 17.896 A 229 ALA A 65 ALA~? A 257 ALA A 68 ALA~? A 328 ASP A 135 ASP~? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 1 3 RMSD = 1.40 A TRANSFORM 0.9933 0.0904 0.0713 -0.1049 0.9658 0.2372 0.0474 0.2431 -0.9688 28.840 23.017 14.424 A 46 HIS A 94 HIS~? A 105 GLU A 83 GLU~? A 109 HIS A 186 HIS~? ULMNm 3 2isd_c00 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 2 3 RMSD = 1.41 A TRANSFORM -0.3007 0.4396 0.8464 0.7746 -0.4052 0.4856 -0.5564 -0.8016 0.2187 103.990 24.720 28.122 A 311 HIS A 186 HIS~? A 341 GLU A 145 GLU~? A 356 HIS A 178 HIS~? ULMNm 3 2isd_c01 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 2 3 RMSD = 1.42 A TRANSFORM 0.3287 0.8479 0.4159 0.7297 -0.5076 0.4582 -0.5997 -0.1529 0.7855 58.449 27.838 -33.069 B 311 HIS A 186 HIS~? B 341 GLU A 145 GLU~? B 356 HIS A 178 HIS~? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 2 3 RMSD = 1.43 A TRANSFORM -0.0089 0.2896 -0.9571 -0.0327 0.9565 0.2897 -0.9994 -0.0339 -0.0009 16.601 -13.263 14.933 A 50 HIS A 186 HIS~? A 96 GLU A 83 GLU~? A 137 HIS A 94 HIS~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.43 A TRANSFORM -0.4308 -0.8951 -0.1149 -0.4780 0.3344 -0.8122 -0.7654 0.2950 0.5719 47.844 61.588 69.137 A 50 GLN A 78 GLN~? A 91 LEU A 77 LEU~? A 133 GLU A 59 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.43 A TRANSFORM -0.2293 -0.1060 0.9676 0.6333 -0.7711 0.0656 -0.7391 -0.6278 -0.2440 -21.116 27.260 14.069 141 ASP A 17 ASP~? 166 GLY A 139 GLY~? 169 GLU A 202 GLU~? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 2 3 RMSD = 1.44 A TRANSFORM -0.0455 -0.1638 -0.9854 -0.2945 -0.9404 0.1700 0.9546 -0.2980 0.0055 61.852 37.970 -10.740 A 46 HIS A 186 HIS~? A 105 GLU A 83 GLU~? A 109 HIS A 94 HIS~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.45 A TRANSFORM -0.5274 -0.7202 0.4508 -0.6750 0.6774 0.2924 0.5159 0.1501 0.8434 24.292 -99.941 -158.391 A 420 ALA A 99 ALA~? B 182 GLY A 105 GLY~? B 183 GLY A 101 GLY~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 4 3 RMSD = 1.45 A TRANSFORM -0.9256 -0.1009 0.3649 -0.0131 -0.9547 -0.2973 -0.3783 0.2799 -0.8823 30.194 -82.654 -121.525 A 420 ALA A 143 ALA~? B 182 GLY A 209 GLY~? B 183 GLY A 139 GLY~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.46 A TRANSFORM -0.7728 0.5251 -0.3565 0.5773 0.8149 -0.0511 -0.2637 0.2453 0.9329 -4.184 -5.108 -12.209 141 ASP A 135 ASP~? 166 GLY A 189 GLY~? 169 GLU A 83 GLU~? ULMNm 3 1un1_c00 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 4 3 RMSD = 1.48 A TRANSFORM 0.1658 0.6745 -0.7194 0.7688 -0.5453 -0.3341 0.6177 0.4977 0.6089 18.979 159.071 -16.913 A 85 GLU A 205 GLU~? A 87 ASP A 135 ASP~? A 89 GLU A 202 GLU~?