*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1grc_c03 GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMuser 2 3 RMSD = 0.87 A TRANSFORM 0.1220 0.1991 0.9724 0.7705 -0.6366 0.0337 -0.6257 -0.7450 0.2311 10.938 114.601 17.754 B 106 ASN A 92 ASN~? B 108 HIS A 89 HIS~? B 144 ASP A 83 ASP~? ULMNm 3 1i1e_c00 BOTULINUM NEUROTOXIN TYPE B user 2 3 RMSD = 1.05 A TRANSFORM -0.1343 0.4286 0.8935 0.3933 -0.8045 0.4451 -0.9095 -0.4112 0.0605 5.966 -6.770 27.956 A 267 GLU B 93 GLU~? A 369 ARG A 29 ARG~? A 372 TYR B 91 TYR.? ULMNm 3 1bqc_c01 BETA-MANNANASE user 2 3 RMSD = 1.10 A TRANSFORM 0.0413 -0.5503 -0.8339 -0.9911 0.0830 -0.1038 -0.1264 -0.8308 0.5420 60.005 29.697 11.349 A 50 ARG A 84 ARG~? A 128 GLU B 31 GLU~? A 225 GLU A 31 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 25 3 RMSD = 1.10 A TRANSFORM -0.5045 -0.6505 -0.5678 -0.8146 0.1404 0.5628 0.2863 -0.7465 0.6007 -16.966 -22.737 137.855 B 70 ALA B 2 ALA.? B 126 LEU B 6 LEU.? B 158 GLU B 111 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 24 3 RMSD = 1.11 A TRANSFORM -0.4403 0.4129 0.7973 0.8665 0.4281 0.2567 0.2353 -0.8039 0.5463 -37.759 30.936 137.372 A 70 ALA B 2 ALA.? A 126 LEU B 6 LEU.? A 158 GLU B 111 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 25 3 RMSD = 1.13 A TRANSFORM 0.9749 0.1524 -0.1622 -0.0265 -0.6442 -0.7644 0.2210 -0.7495 0.6240 19.388 21.830 135.381 C 70 ALA B 2 ALA.? C 126 LEU B 6 LEU.? C 158 GLU B 111 GLU~? ULMNm 3 1fhl_c00 BETA-1,4-GALACTANASE user 2 3 RMSD = 1.15 A TRANSFORM 0.6879 -0.6066 -0.3984 -0.6613 -0.2977 -0.6886 -0.2991 -0.7372 0.6059 20.369 53.216 103.356 A 45 ARG A 84 ARG~? A 136 GLU B 31 GLU~? A 246 GLU A 31 GLU~? ULMNm 3 1fob_c00 BETA-1,4-GALACTANASE user 2 3 RMSD = 1.15 A TRANSFORM 0.7069 -0.5800 -0.4048 -0.6541 -0.3183 -0.6862 -0.2691 -0.7499 0.6044 20.326 52.732 102.794 A 45 ARG A 84 ARG~? A 136 GLU B 31 GLU~? A 246 GLU A 31 GLU~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.16 A TRANSFORM -0.0873 0.6122 0.7859 0.9749 0.2146 -0.0589 0.2047 -0.7610 0.6156 5.980 -91.252 -138.352 A 183 GLY A 58 GLY~? B 419 GLY A 53 GLY.? B 420 ALA A 54 ALA.? ULMNm 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 7 3 RMSD = 1.19 A TRANSFORM -0.1506 -0.8436 -0.5153 0.7380 -0.4428 0.5092 0.6578 0.3037 -0.6893 48.405 0.396 69.644 111 GLN B 42 GLN~? 294 GLU B 35 GLU~? 304 ARG B 46 ARG~? ULMNm 3 3hde_o02 LYSOZYME user 1 3 RMSD = 1.20 A TRANSFORM -0.9372 0.2880 -0.1969 0.2304 0.9347 0.2708 -0.2620 -0.2084 0.9423 29.038 -11.971 -15.865 C 35 GLU A 35 GLU~? C 44 ASP A 83 ASP~? C 50 THR A 87 THR~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.21 A TRANSFORM 0.9430 -0.3141 -0.1102 0.1646 0.1523 0.9745 0.2893 0.9371 -0.1953 27.361 -112.455 -129.924 A 183 GLY B 58 GLY~? B 419 GLY B 53 GLY.? B 420 ALA B 54 ALA.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.23 A TRANSFORM -0.5025 0.5746 0.6460 -0.2293 0.6319 -0.7404 0.8336 0.5202 0.1858 3.984 0.489 138.787 C 70 ALA A 5 ALA.? C 126 LEU A 6 LEU.? C 158 GLU A 3 GLU.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 27 3 RMSD = 1.23 A TRANSFORM 0.7287 -0.4617 -0.5057 -0.4658 -0.8756 0.1282 0.5020 -0.1421 0.8531 32.743 -9.932 127.237 C 70 ALA B 5 ALA.? C 126 LEU B 6 LEU.? C 158 GLU B 3 GLU.? ULMNm 3 1kim_c00 THYMIDINE KINASE user 4 3 RMSD = 1.23 A TRANSFORM -0.3808 0.5538 -0.7405 0.5756 0.7687 0.2788 -0.7236 0.3201 0.6115 82.758 73.851 16.444 A 83 GLU B 73 GLU~? A 163 ARG B 70 ARG~? A 222 ARG B 116 ARG~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 5 3 RMSD = 1.25 A TRANSFORM 0.2989 0.5542 -0.7769 -0.0354 -0.8071 -0.5894 0.9536 -0.2036 0.2216 60.371 16.164 16.276 A 67 ASP B 24 ASP~? A 68 ALA A 25 ALA~? A 72 LEU A 12 LEU.? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 27 3 RMSD = 1.26 A TRANSFORM -0.7564 -0.5309 0.3821 -0.3607 0.8259 0.4334 0.5456 -0.1900 0.8162 -51.337 -19.057 130.325 B 70 ALA B 5 ALA.? B 126 LEU B 6 LEU.? B 158 GLU B 3 GLU.? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.26 A TRANSFORM 0.0698 0.2716 -0.9599 0.6075 -0.7748 -0.1751 0.7913 0.5709 0.2191 -27.694 1.398 139.934 B 70 ALA A 5 ALA.? B 126 LEU A 6 LEU.? B 158 GLU A 3 GLU.? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 26 3 RMSD = 1.27 A TRANSFORM 0.0852 0.9720 0.2191 0.8779 0.0307 -0.4779 0.4712 -0.2331 0.8507 -17.754 58.020 126.593 A 70 ALA B 5 ALA.? A 126 LEU B 6 LEU.? A 158 GLU B 3 GLU.? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.27 A TRANSFORM 0.5244 -0.7831 0.3341 -0.2973 0.1993 0.9338 0.7979 0.5890 0.1283 -11.379 28.222 138.474 A 70 ALA A 5 ALA.? A 126 LEU A 6 LEU.? A 158 GLU A 3 GLU.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.28 A TRANSFORM -0.4298 -0.5843 0.6884 -0.8287 0.5579 -0.0438 0.3585 0.5893 0.7240 34.623 -1.232 2.405 A 67 ASP A 24 ASP~? A 68 ALA B 25 ALA~? A 72 LEU B 12 LEU.? ULMNm 3 3hde_o01 LYSOZYME user 2 3 RMSD = 1.30 A TRANSFORM 0.2222 0.9261 -0.3049 0.4232 0.1901 0.8859 -0.8784 0.3259 0.3497 -9.677 -34.520 -29.144 B 35 GLU A 35 GLU~? B 44 ASP A 83 ASP~? B 50 THR A 87 THR~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 7 3 RMSD = 1.31 A TRANSFORM -0.2783 -0.2261 -0.9335 -0.1464 -0.9505 0.2739 0.9493 -0.2129 -0.2315 5.325 34.633 141.696 A 70 ALA A 7 ALA.? A 126 LEU A 6 LEU.? A 158 GLU A 111 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 7 3 RMSD = 1.32 A TRANSFORM 0.0297 -0.7164 0.6970 0.4020 0.6470 0.6479 0.9152 -0.2610 -0.3072 1.308 -16.803 143.711 C 70 ALA A 7 ALA.? C 126 LEU A 6 LEU.? C 158 GLU A 111 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 7 3 RMSD = 1.32 A TRANSFORM 0.3540 0.9121 0.2070 -0.1626 0.2779 -0.9467 0.9210 -0.3015 -0.2466 -41.244 12.696 144.371 B 70 ALA A 7 ALA.? B 126 LEU A 6 LEU.? B 158 GLU A 111 GLU~? ULMNm 3 1sll_c00 SIALIDASE L user 2 3 RMSD = 1.33 A TRANSFORM 0.3500 0.1425 0.9258 0.2881 -0.9568 0.0384 -0.8913 -0.2533 0.3760 -9.909 3.064 29.477 318 ASP B 24 ASP~? 595 GLU B 93 GLU~? 713 TYR B 91 TYR.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.34 A TRANSFORM -0.2252 0.9735 0.0397 0.9707 0.2206 0.0954 -0.0842 -0.0600 0.9946 23.897 22.343 -8.798 A 229 ALA A 96 ALA~? A 257 ALA A 98 ALA~? A 328 ASP A 83 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 5 3 RMSD = 1.35 A TRANSFORM 0.3138 -0.9462 0.0791 0.3918 0.2049 0.8970 0.8649 0.2505 -0.4350 31.480 5.452 19.382 A 229 ALA B 96 ALA~? A 257 ALA B 98 ALA~? A 328 ASP B 83 ASP~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.36 A TRANSFORM 0.5122 -0.8588 -0.0103 -0.8583 -0.5114 -0.0411 -0.0300 -0.0299 0.9991 36.088 -75.734 -146.322 A 420 ALA A 63 ALA~? B 182 GLY A 53 GLY.? B 183 GLY A 58 GLY~? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 27 3 RMSD = 1.37 A TRANSFORM 0.7014 0.5545 0.4479 -0.5510 0.8204 -0.1529 0.4522 0.1396 -0.8809 -11.643 0.546 40.615 C 124 ALA B 96 ALA~? C 126 ARG B 102 ARG~? C 138 GLU B 93 GLU~? ULMNm 3 2dbt_c00 CHITINASE C user 4 3 RMSD = 1.38 A TRANSFORM -0.3926 -0.0528 0.9182 -0.9142 -0.0867 -0.3958 -0.1005 0.9948 0.0143 44.711 31.645 -2.717 A 147 GLU B 35 GLU~? A 156 GLU B 31 GLU~? A 194 ASN A 92 ASN~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.39 A TRANSFORM -0.9419 0.0739 0.3277 -0.0118 -0.9822 0.1876 -0.3358 -0.1729 -0.9260 76.031 21.633 14.320 A 261 GLY A 115 GLY~? B 17 GLN A 112 GLN~? B 140 GLU A 111 GLU~? ULMNm 3 2dbt_c02 CHITINASE C user 4 3 RMSD = 1.40 A TRANSFORM 0.2967 0.4400 -0.8476 0.8216 0.3349 0.4614 -0.4869 0.8332 0.2621 64.285 8.799 -3.907 C 147 GLU B 35 GLU~? C 156 GLU B 31 GLU~? C 194 ASN A 92 ASN~? ULMNm 3 3hde_o00 LYSOZYME user 1 3 RMSD = 1.42 A TRANSFORM 0.9564 -0.1920 0.2200 0.2543 0.1776 -0.9507 -0.1434 -0.9652 -0.2187 -10.142 -6.137 -11.589 A 35 GLU A 35 GLU~? A 44 ASP A 83 ASP~? A 50 THR A 87 THR~? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 27 3 RMSD = 1.44 A TRANSFORM -0.8309 0.4621 -0.3098 0.3345 0.8599 0.3854 -0.4446 -0.2166 0.8692 -1.503 -5.459 42.010 F 124 ALA B 96 ALA~? F 126 ARG B 102 ARG~? F 138 GLU B 93 GLU~? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 16 3 RMSD = 1.45 A TRANSFORM 0.7196 -0.1251 0.6830 0.0518 -0.9712 -0.2325 -0.6924 -0.2027 0.6924 -12.566 10.314 8.114 C 124 ALA A 96 ALA~? C 126 ARG A 102 ARG~? C 138 GLU A 93 GLU~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.45 A TRANSFORM -0.2266 0.9461 0.2314 -0.4394 0.1127 -0.8912 0.8693 0.3036 -0.3901 22.617 -60.937 -118.113 A 420 ALA B 63 ALA~? B 182 GLY B 53 GLY.? B 183 GLY B 58 GLY~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 1 3 RMSD = 1.45 A TRANSFORM -0.7102 -0.5751 -0.4062 0.0156 -0.5896 0.8076 0.7039 -0.5672 -0.4277 74.065 85.020 45.488 A 83 GLU A 73 GLU~? A 163 ARG A 70 ARG~? A 222 ARG A 116 ARG~? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 27 3 RMSD = 1.46 A TRANSFORM 0.1476 -0.9785 -0.1439 0.9211 0.0829 0.3805 0.3604 0.1887 -0.9135 -0.110 -4.203 41.102 B 124 ALA B 96 ALA~? B 126 ARG B 102 ARG~? B 138 GLU B 93 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 42 3 RMSD = 1.46 A TRANSFORM -0.1573 0.0500 0.9863 -0.5913 -0.8047 -0.0536 -0.7910 0.5916 -0.1561 -79.231 6.482 153.209 B 70 ALA B 77 ALA~? B 126 LEU B 69 LEU.? B 158 GLU B 73 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.46 A TRANSFORM -0.8802 0.4515 -0.1460 0.4385 0.6562 -0.6141 0.1815 0.6045 0.7756 9.149 -2.873 -13.627 141 ASP A 105 ASP~? 166 GLY A 67 GLY.? 169 GLU A 49 GLU.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 42 3 RMSD = 1.47 A TRANSFORM 0.5345 0.7132 -0.4535 0.1446 0.4515 0.8805 -0.8327 0.5362 -0.1382 26.119 -46.556 151.283 C 70 ALA B 77 ALA~? C 126 LEU B 69 LEU.? C 158 GLU B 73 GLU~? ULMNm 3 1grc_c03 GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMuser 1 3 RMSD = 1.47 A TRANSFORM 0.8989 0.3339 0.2837 0.2484 -0.9218 0.2978 -0.3609 0.1972 0.9115 27.992 112.070 -14.898 B 106 ASN A 92 ASN~? B 108 HIS A 89 HIS~? B 144 ASP A 24 ASP~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 41 3 RMSD = 1.48 A TRANSFORM -0.4629 -0.7014 -0.5420 0.3664 0.4054 -0.8375 -0.8071 0.5863 -0.0694 19.159 71.276 147.158 A 70 ALA B 77 ALA~? A 126 LEU B 69 LEU.? A 158 GLU B 73 GLU~? ULMNm 3 1ig8_c00 HEXOKINASE PII user 3 3 RMSD = 1.48 A TRANSFORM 0.2007 0.8982 0.3911 0.9365 -0.2930 0.1924 -0.2874 -0.3277 0.9000 0.846 68.746 -13.978 A 158 SER A 85 SER~? A 173 ARG B 84 ARG~? A 211 ASP A 82 ASP~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 3 3 RMSD = 1.49 A TRANSFORM 0.4164 0.7082 -0.5701 0.4574 0.3787 0.8046 -0.7857 0.5958 0.1662 10.162 -13.489 11.012 A 271 PRO A 104 PRO~? A 272 LEU A 103 LEU~? A 276 ARG A 29 ARG~?