*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 7 3 RMSD = 0.89 A TRANSFORM -0.4517 -0.8251 -0.3394 0.5515 -0.5573 0.6207 -0.7013 0.0932 0.7068 136.156 31.403 -7.401 A 67 ASP D 31 ASP~? A 68 ALA D 28 ALA~? A 72 LEU D 86 LEU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 0.95 A TRANSFORM 0.0470 -0.9208 0.3873 -0.7569 -0.2858 -0.5877 0.6519 -0.2655 -0.7103 130.815 35.925 11.827 A 67 ASP B 31 ASP~? A 68 ALA B 28 ALA~? A 72 LEU B 86 LEU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 0.96 A TRANSFORM -0.2568 0.9564 -0.1388 0.9061 0.2882 0.3096 0.3361 -0.0462 -0.9407 7.504 -32.009 3.656 A 67 ASP A 31 ASP~? A 68 ALA A 28 ALA~? A 72 LEU A 86 LEU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 0.98 A TRANSFORM 0.1218 0.9922 -0.0278 -0.4373 0.0788 0.8959 0.8910 -0.0969 0.4435 -0.098 68.288 137.196 D 141 GLY C 59 GLY.? D 144 GLU D 99 GLU~? D 164 GLU B 3 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.00 A TRANSFORM 0.0461 -0.9921 0.1168 0.4072 -0.0881 -0.9091 0.9122 0.0894 0.4000 141.766 117.867 124.264 C 141 GLY C 59 GLY.? C 144 GLU D 99 GLU~? C 164 GLU B 3 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.00 A TRANSFORM 0.8761 -0.4771 -0.0694 -0.1239 -0.3618 0.9240 -0.4659 -0.8009 -0.3760 98.061 96.089 227.916 F 141 GLY C 59 GLY.? F 144 GLU D 99 GLU~? F 164 GLU B 3 GLU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 5 3 RMSD = 1.02 A TRANSFORM 0.6816 0.7235 0.1094 -0.6433 0.6637 -0.3817 -0.3488 0.1898 0.9178 10.295 -32.410 -20.304 A 67 ASP C 31 ASP~? A 68 ALA C 28 ALA~? A 72 LEU C 86 LEU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.03 A TRANSFORM -0.9363 0.3512 -0.0027 0.1347 0.3519 -0.9263 -0.3244 -0.8677 -0.3768 59.434 89.865 230.832 B 141 GLY C 59 GLY.? B 144 GLU D 99 GLU~? B 164 GLU B 3 GLU~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 6 3 RMSD = 1.04 A TRANSFORM -0.4642 -0.5768 0.6722 0.1113 -0.7909 -0.6017 0.8787 -0.2045 0.4313 129.831 81.443 56.815 B 550 GLN A 92 GLN~? B 591 LEU B 63 LEU~? B 633 GLU C 3 GLU~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 6 3 RMSD = 1.05 A TRANSFORM 0.2513 0.9678 0.0129 0.3135 -0.0688 -0.9471 -0.9157 0.2421 -0.3207 12.778 27.969 42.585 C1050 GLN A 92 GLN~? C1091 LEU B 63 LEU~? C1133 GLU C 3 GLU~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 6 3 RMSD = 1.10 A TRANSFORM -0.0571 0.6755 0.7352 0.2884 0.7161 -0.6356 -0.9558 0.1757 -0.2357 12.554 -2.575 70.874 A 50 GLN A 92 GLN~? A 91 LEU B 63 LEU~? A 133 GLU C 3 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 7 3 RMSD = 1.11 A TRANSFORM 0.9368 -0.3126 -0.1573 0.2744 0.3770 0.8846 -0.2173 -0.8719 0.4389 26.805 -54.672 226.754 C 70 ALA B 9 ALA~? C 126 LEU B 5 LEU~? C 158 GLU B 3 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 7 3 RMSD = 1.12 A TRANSFORM -0.7243 -0.2484 -0.6432 0.6676 -0.4861 -0.5640 -0.1726 -0.8379 0.5178 32.801 78.222 221.232 A 70 ALA B 9 ALA~? A 126 LEU B 5 LEU~? A 158 GLU B 3 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 7 3 RMSD = 1.13 A TRANSFORM -0.2322 0.4661 0.8537 -0.9617 0.0217 -0.2734 -0.1460 -0.8845 0.4432 -85.200 15.292 228.259 B 70 ALA B 9 ALA~? B 126 LEU B 5 LEU~? B 158 GLU B 3 GLU~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 12 3 RMSD = 1.15 A TRANSFORM -0.9409 -0.2621 -0.2146 0.1654 0.1972 -0.9663 0.2956 -0.9447 -0.1422 48.744 -8.838 60.444 A 271 PRO C 107 PRO~? A 272 LEU C 111 LEU~? A 276 ARG C 113 ARG~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 33 3 RMSD = 1.18 A TRANSFORM -0.5702 0.4778 0.6682 0.7661 0.0156 0.6425 0.2966 0.8783 -0.3750 38.772 32.406 76.971 A 50 ASP D 65 ASP~? A 327 GLU B 13 GLU~? A 339 ARG B 10 ARG~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 7 3 RMSD = 1.24 A TRANSFORM -0.3267 -0.8927 0.3105 0.9365 -0.3500 -0.0208 0.1272 0.2840 0.9504 76.509 31.929 -35.657 A 14 GLU B 99 GLU~? A 61 GLU D 13 GLU~? A 162 HIS D 6 HIS~? ULMNm 3 3qrf_d00 DNA BINDING PROTEIN/DNA user 3 3 RMSD = 1.26 A TRANSFORM -0.2332 0.7592 -0.6077 0.1067 0.6411 0.7600 0.9665 0.1124 -0.2305 55.846 20.276 27.283 G 386 ARG C 10 ARG~? G 387 HIS C 6 HIS~? G 390 SER C 2 SER.? ULMNm 3 1a50_c03 TRYPTOPHAN SYNTHASE user 4 3 RMSD = 1.27 A TRANSFORM 0.4020 0.9154 0.0216 -0.6730 0.2793 0.6849 0.6209 -0.2898 0.7283 -18.457 33.434 8.757 A 49 GLU C 117 GLU~? A 60 ASP A 47 ASP~? A 175 TYR A 39 TYR~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 29 3 RMSD = 1.28 A TRANSFORM -0.8551 0.0172 0.5182 -0.1938 0.9164 -0.3502 -0.4809 -0.3999 -0.7802 71.158 -6.004 185.793 A 50 ASP D 35 ASP~? A 327 GLU C 13 GLU~? A 339 ARG C 17 ARG~? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 2 3 RMSD = 1.28 A TRANSFORM -0.4932 0.8330 -0.2508 0.8698 0.4759 -0.1300 0.0111 -0.2823 -0.9593 -31.377 0.904 170.542 A 109 ASP D 35 ASP~? A 182 GLU D 36 GLU~? A 286 ASN D 80 ASN~? ULMNm 3 1i19_c00 CHOLESTEROL OXIDASE user 1 3 RMSD = 1.28 A TRANSFORM -0.1164 -0.8463 -0.5198 -0.9519 -0.0543 0.3017 -0.2835 0.5299 -0.7992 93.445 62.536 36.514 A 311 GLU B 109 GLU~? A 475 GLU B 110 GLU~? A 477 ARG B 113 ARG~? ULMNm 3 1t0u_c01 URIDINE PHOSPHORYLASE user 13 3 RMSD = 1.28 A TRANSFORM 0.4722 0.2883 0.8330 -0.3323 0.9335 -0.1348 -0.8165 -0.2132 0.5366 -43.285 -35.631 -29.740 B 8 HIS C 6 HIS~? B 80 GLU A 99 GLU~? B 223 ARG C 27 ARG~? ULMNm 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 9 3 RMSD = 1.29 A TRANSFORM -0.3012 -0.0077 0.9535 0.3750 -0.9203 0.1110 0.8767 0.3910 0.2802 29.884 83.900 -5.007 111 GLN B 92 GLN~? 294 GLU D 3 GLU~? 304 ARG B 85 ARG~? ULMNm 3 1i19_c01 CHOLESTEROL OXIDASE user 1 3 RMSD = 1.30 A TRANSFORM 0.1212 0.8195 0.5601 -0.5963 0.5112 -0.6190 -0.7936 -0.2590 0.5506 -36.241 10.507 110.253 B 311 GLU B 109 GLU~? B 475 GLU B 110 GLU~? B 477 ARG B 113 ARG~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 24 3 RMSD = 1.34 A TRANSFORM 0.3460 0.3939 0.8516 -0.2933 -0.8167 0.4969 0.8912 -0.4217 -0.1670 -55.121 49.712 181.236 C 70 ALA D 28 ALA~? C 126 LEU D 86 LEU~? C 158 GLU D 90 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 21 3 RMSD = 1.35 A TRANSFORM 0.1505 0.3766 -0.9141 0.9827 -0.1579 0.0967 -0.1080 -0.9128 -0.3939 -70.587 -2.982 233.419 B 70 ALA D 9 ALA~? B 126 LEU D 5 LEU~? B 158 GLU D 3 GLU~? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 2 3 RMSD = 1.36 A TRANSFORM 0.4116 0.8866 -0.2110 -0.9114 0.3996 -0.0987 -0.0032 0.2329 0.9725 -57.953 46.934 74.412 B 109 ASP D 35 ASP~? B 182 GLU D 36 GLU~? B 286 ASN D 80 ASN~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 21 3 RMSD = 1.36 A TRANSFORM 0.7731 -0.3588 0.5231 -0.6285 -0.3215 0.7082 -0.0859 -0.8763 -0.4740 9.719 75.131 227.632 A 70 ALA D 9 ALA~? A 126 LEU D 5 LEU~? A 158 GLU D 3 GLU~? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 1 3 RMSD = 1.36 A TRANSFORM -0.0626 -0.9845 -0.1636 0.5234 -0.1719 0.8346 -0.8498 -0.0334 0.5261 80.700 68.220 105.330 B 109 ASP C 35 ASP~? B 182 GLU C 36 GLU~? B 286 ASN C 80 ASN~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 21 3 RMSD = 1.37 A TRANSFORM -0.9332 -0.1118 0.3414 -0.3569 0.3969 -0.8456 -0.0409 -0.9110 -0.4103 35.471 -33.655 230.733 C 70 ALA D 9 ALA~? C 126 LEU D 5 LEU~? C 158 GLU D 3 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 14 3 RMSD = 1.37 A TRANSFORM 0.7137 -0.6065 -0.3504 -0.4784 -0.0565 -0.8763 0.5117 0.7931 -0.3305 -11.922 14.163 105.646 B 70 ALA C 9 ALA~? B 126 LEU C 5 LEU~? B 158 GLU C 3 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 14 3 RMSD = 1.38 A TRANSFORM -0.7498 0.2829 -0.5981 -0.3354 0.6167 0.7122 0.5704 0.7346 -0.3675 -9.444 5.441 105.822 A 70 ALA C 9 ALA~? A 126 LEU C 5 LEU~? A 158 GLU C 3 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 23 3 RMSD = 1.38 A TRANSFORM -0.4095 -0.9123 -0.0004 -0.0913 0.0414 -0.9950 0.9077 -0.4074 -0.1003 45.359 30.570 179.066 B 70 ALA D 28 ALA~? B 126 LEU D 86 LEU~? B 158 GLU D 90 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 24 3 RMSD = 1.39 A TRANSFORM 0.1586 0.4728 -0.8668 0.4731 0.7342 0.4870 0.8666 -0.4873 -0.1072 -20.772 -46.192 184.181 A 70 ALA D 28 ALA~? A 126 LEU D 86 LEU~? A 158 GLU D 90 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 14 3 RMSD = 1.40 A TRANSFORM 0.0964 0.4014 0.9108 0.8603 -0.4938 0.1265 0.5006 0.7714 -0.3929 -17.045 7.753 105.878 C 70 ALA C 9 ALA~? C 126 LEU C 5 LEU~? C 158 GLU C 3 GLU~? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 11 3 RMSD = 1.41 A TRANSFORM 0.7115 -0.6945 -0.1073 -0.5515 -0.6465 0.5272 -0.4355 -0.3159 -0.8430 50.674 50.338 97.921 F 124 ALA C 60 ALA.? F 126 ARG C 58 ARG~? F 138 GLU B 3 GLU~? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 1 3 RMSD = 1.41 A TRANSFORM 0.4280 -0.7176 0.5494 -0.3419 -0.6913 -0.6366 0.8366 0.0846 -0.5412 66.060 99.717 132.780 A 109 ASP C 35 ASP~? A 182 GLU C 36 GLU~? A 286 ASN C 80 ASN~? ULMNm 3 1cns_c00 CHITINASE user 2 3 RMSD = 1.42 A TRANSFORM -0.1461 -0.5611 0.8148 -0.8397 -0.3651 -0.4019 0.5230 -0.7429 -0.4178 -9.556 25.595 125.590 A 67 GLU C 30 GLU~? A 89 GLU A 110 GLU~? A 120 SER A 114 SER~? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 10 3 RMSD = 1.42 A TRANSFORM 0.0693 0.9159 -0.3954 0.8558 -0.2583 -0.4483 -0.5127 -0.3073 -0.8017 -74.555 25.112 96.783 D 124 ALA C 60 ALA.? D 126 ARG C 58 ARG~? D 138 GLU B 3 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.43 A TRANSFORM -0.0485 0.8116 -0.5822 -0.8892 0.2303 0.3952 0.4548 0.5369 0.7106 -57.981 5.487 -27.142 141 ASP B 47 ASP~? 166 GLY B 59 GLY.? 169 GLU C 3 GLU~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 9 3 RMSD = 1.43 A TRANSFORM 0.8745 -0.2687 -0.4037 0.4168 -0.0091 0.9090 -0.2479 -0.9632 0.1041 17.905 -4.559 63.650 A 271 PRO C 4 PRO~? A 272 LEU C 8 LEU~? A 276 ARG C 10 ARG~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 26 3 RMSD = 1.44 A TRANSFORM 0.7624 0.5988 -0.2453 -0.0816 -0.2871 -0.9544 -0.6419 0.7477 -0.1700 -35.178 77.466 115.465 A 70 ALA D 61 ALA~? A 126 LEU D 63 LEU~? A 158 GLU D 66 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 25 3 RMSD = 1.45 A TRANSFORM -0.3654 0.0184 0.9307 0.6946 0.6710 0.2595 -0.6197 0.7413 -0.2580 -60.480 -44.062 120.381 B 70 ALA D 61 ALA~? B 126 LEU D 63 LEU~? B 158 GLU D 66 GLU~? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 9 3 RMSD = 1.46 A TRANSFORM 0.0942 0.9028 -0.4196 -0.8500 0.2923 0.4382 0.5183 0.3154 0.7949 -73.191 -25.600 -15.194 B 124 ALA C 60 ALA.? B 126 ARG C 58 ARG~? B 138 GLU B 3 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 26 3 RMSD = 1.46 A TRANSFORM -0.4626 -0.5322 -0.7091 -0.6788 -0.3020 0.6694 -0.5704 0.7910 -0.2215 58.084 -5.679 115.178 C 70 ALA D 61 ALA~? C 126 LEU D 63 LEU~? C 158 GLU D 66 GLU~? ULMNm 3 1bqc_c01 BETA-MANNANASE user 5 3 RMSD = 1.46 A TRANSFORM -0.7177 -0.0144 -0.6962 0.5636 -0.5992 -0.5686 -0.4090 -0.8005 0.4382 67.273 73.206 89.328 A 50 ARG D 17 ARG~? A 128 GLU B 110 GLU~? A 225 GLU D 13 GLU~? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 10 3 RMSD = 1.46 A TRANSFORM -0.8099 -0.2286 0.5402 -0.3937 0.8945 -0.2118 -0.4348 -0.3843 -0.8144 10.513 -66.335 103.066 E 124 ALA C 60 ALA.? E 126 ARG C 58 ARG~? E 138 GLU B 3 GLU~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 9 3 RMSD = 1.48 A TRANSFORM -0.0592 -0.4335 0.8992 -0.3851 0.8410 0.3801 -0.9210 -0.3238 -0.2167 3.227 -30.265 38.521 A 14 GLU D 54 GLU~? A 61 GLU C 99 GLU~? A 162 HIS D 53 HIS~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.48 A TRANSFORM -0.1714 -0.7862 0.5937 -0.8552 0.4180 0.3066 -0.4892 -0.4552 -0.7440 67.583 26.949 199.555 A 70 ALA A 61 ALA.? A 126 LEU A 63 LEU~? A 158 GLU A 66 GLU~? ULMNm 3 1t0u_c01 URIDINE PHOSPHORYLASE user 35 3 RMSD = 1.48 A TRANSFORM 0.0766 -0.9969 -0.0157 -0.0033 -0.0160 0.9999 -0.9971 -0.0765 -0.0045 38.458 -8.527 -26.181 B 8 HIS D 53 HIS~? B 80 GLU D 54 GLU~? B 223 ARG C 27 ARG~? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 11 3 RMSD = 1.49 A TRANSFORM -0.8101 -0.2131 0.5461 0.3884 -0.8929 0.2276 0.4391 0.3965 0.8062 9.120 68.683 -21.887 C 124 ALA C 60 ALA.? C 126 ARG C 58 ARG~? C 138 GLU B 3 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.49 A TRANSFORM 0.7794 -0.0122 -0.6264 0.2705 -0.8952 0.3541 -0.5651 -0.4454 -0.6945 -60.216 71.195 203.446 B 70 ALA A 61 ALA.? B 126 LEU A 63 LEU~? B 158 GLU A 66 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 18 3 RMSD = 1.50 A TRANSFORM -0.0186 -0.8312 -0.5557 0.9669 0.1264 -0.2215 0.2543 -0.5414 0.8014 80.673 28.139 185.330 A 70 ALA C 61 ALA.? A 126 LEU C 63 LEU~? A 158 GLU C 66 GLU~?