*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 0.51 A TRANSFORM -0.5514 0.6787 -0.4851 -0.8010 -0.5933 0.0803 -0.2333 0.4328 0.8708 17.104 -21.468 -146.166 A 183 GLY A 0 GLY~? B 419 GLY B 65 GLY~? B 420 ALA B 66 ALA~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 0.54 A TRANSFORM 0.5859 -0.6197 -0.5222 0.7735 0.6198 0.1324 0.2416 -0.4815 0.8425 56.766 -139.661 -108.264 A 183 GLY B 0 GLY~? B 419 GLY A 65 GLY~? B 420 ALA A 66 ALA~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 0.76 A TRANSFORM 0.9537 0.1004 -0.2834 -0.2887 0.0428 -0.9565 -0.0839 0.9940 0.0698 11.380 70.489 -54.111 A 229 ALA A 89 ALA~? A 257 ALA A 93 ALA~? A 328 ASP A 34 ASP~? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 0.81 A TRANSFORM 0.5498 -0.3752 -0.7463 0.3544 0.9138 -0.1983 0.7564 -0.1555 0.6354 50.081 -60.916 47.449 A 198 GLY B 58 GLY.? A 228 SER A 8 SER~? A 549 ASP A 5 ASP~? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 0.84 A TRANSFORM 0.7042 0.4224 -0.5706 -0.0613 0.8369 0.5438 0.7073 -0.3480 0.6153 91.149 33.987 129.300 B1198 GLY B 58 GLY.? B1228 SER A 8 SER~? B1549 ASP A 5 ASP~? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 0.86 A TRANSFORM -0.5458 0.4163 -0.7272 -0.3476 -0.9021 -0.2556 -0.7624 0.1133 0.6371 37.937 64.968 78.234 A 198 GLY A 58 GLY~? A 228 SER B 8 SER~? A 549 ASP B 5 ASP~? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 0.87 A TRANSFORM -0.6983 -0.3917 -0.5992 0.0616 -0.8668 0.4948 -0.7132 0.3086 0.6294 180.748 128.254 134.754 B1198 GLY A 58 GLY~? B1228 SER B 8 SER~? B1549 ASP B 5 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.04 A TRANSFORM 0.7092 0.6679 -0.2258 0.1556 0.1641 0.9741 0.6877 -0.7259 0.0124 -42.446 -5.078 68.904 A 316 ALA A 66 ALA~? A 317 GLY A 65 GLY~? A 318 ASP A 62 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 5 3 RMSD = 1.04 A TRANSFORM -0.7132 -0.6413 -0.2830 -0.1550 -0.2494 0.9559 -0.6836 0.7256 0.0785 76.422 28.016 26.878 A 316 ALA B 66 ALA~? A 317 GLY B 65 GLY~? A 318 ASP B 62 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 1.05 A TRANSFORM 0.3482 0.7936 0.4990 -0.5797 -0.2360 0.7799 0.7367 -0.5608 0.3778 -47.912 50.984 51.221 A 316 ALA A 66 ALA~? A 317 GLY A 65 GLY~? A 318 ASP A 64 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 5 3 RMSD = 1.05 A TRANSFORM -0.5390 0.6438 -0.5432 -0.2109 -0.7275 -0.6529 -0.8155 -0.2374 0.5278 8.140 21.290 -22.656 B 250 ALA B 66 ALA~? B 251 GLY B 65 GLY~? B 252 ASP B 62 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 5 3 RMSD = 1.05 A TRANSFORM 0.3520 0.8840 0.3075 0.6074 -0.4657 0.6436 0.7121 -0.0398 -0.7009 -23.849 -18.630 -13.100 A 250 ALA B 66 ALA~? A 251 GLY B 65 GLY~? A 252 ASP B 62 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.06 A TRANSFORM 0.5399 -0.5902 -0.6002 0.2065 0.7841 -0.5853 0.8160 0.1921 0.5451 46.400 -78.761 -96.928 B 250 ALA A 66 ALA~? B 251 GLY A 65 GLY~? B 252 ASP A 62 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.06 A TRANSFORM -0.3480 -0.9095 0.2275 -0.6072 0.4036 0.6844 -0.7142 0.1000 -0.6927 100.987 -31.694 22.050 A 250 ALA A 66 ALA~? A 251 GLY A 65 GLY~? A 252 ASP A 62 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 5 3 RMSD = 1.07 A TRANSFORM 0.9812 0.0436 -0.1880 -0.0040 -0.9693 -0.2458 -0.1929 0.2419 -0.9509 119.056 62.859 0.530 A 316 ALA B 66 ALA~? A 317 GLY B 65 GLY~? A 318 ASP B 62 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 6 3 RMSD = 1.07 A TRANSFORM -0.3393 -0.8285 0.4455 0.6224 0.1574 0.7667 -0.7053 0.5374 0.4623 66.383 -8.046 31.502 A 316 ALA B 66 ALA~? A 317 GLY B 65 GLY~? A 318 ASP B 64 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.07 A TRANSFORM -0.9817 -0.0302 -0.1883 -0.0002 0.9876 -0.1573 0.1907 -0.1544 -0.9694 182.956 -50.219 11.509 A 316 ALA A 66 ALA~? A 317 GLY A 65 GLY~? A 318 ASP A 62 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 3 3 RMSD = 1.11 A TRANSFORM -0.5742 -0.1071 -0.8117 -0.3241 0.9402 0.1052 0.7518 0.3235 -0.5745 182.015 -39.100 -46.561 A 316 ALA A 66 ALA~? A 317 GLY A 65 GLY~? A 318 ASP A 64 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 3 3 RMSD = 1.12 A TRANSFORM 0.9692 -0.1637 -0.1842 0.1487 0.9846 -0.0923 0.1965 0.0621 0.9785 -3.653 -97.197 -71.690 B 250 ALA A 66 ALA~? B 251 GLY A 65 GLY~? B 252 ASP A 64 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 6 3 RMSD = 1.14 A TRANSFORM 0.5343 0.1688 -0.8283 0.3106 -0.9505 0.0067 -0.7862 -0.2608 -0.5603 132.611 50.719 33.598 A 316 ALA B 66 ALA~? A 317 GLY B 65 GLY~? A 318 ASP B 64 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 6 3 RMSD = 1.14 A TRANSFORM -0.9740 0.1943 -0.1167 -0.1733 -0.9702 -0.1691 -0.1461 -0.1445 0.9787 34.415 25.228 -49.423 B 250 ALA B 66 ALA~? B 251 GLY B 65 GLY~? B 252 ASP B 64 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 3 3 RMSD = 1.15 A TRANSFORM 0.0076 -0.9593 -0.2824 -0.9825 -0.0597 0.1763 -0.1860 0.2762 -0.9429 98.689 20.284 -5.614 A 250 ALA A 66 ALA~? A 251 GLY A 65 GLY~? A 252 ASP A 64 ASP~? ULMNm 3 1b6g_c00 HALOALKANE DEHALOGENASE user 4 3 RMSD = 1.16 A TRANSFORM 0.5905 0.1832 0.7860 -0.7608 0.4513 0.4664 -0.2693 -0.8734 0.4058 -12.585 6.961 72.751 124 ASP B 40 ASP~? 260 ASP A 29 ASP.? 289 HIS A 27 HIS.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 6 3 RMSD = 1.17 A TRANSFORM -0.0033 0.9803 -0.1977 0.9914 0.0292 0.1278 0.1310 -0.1956 -0.9719 -12.796 -44.469 11.996 A 250 ALA B 66 ALA~? A 251 GLY B 65 GLY~? A 252 ASP B 64 ASP~? ULMNm 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 1 3 RMSD = 1.18 A TRANSFORM -0.7561 -0.4024 0.5162 -0.3848 0.9113 0.1468 -0.5295 -0.0876 -0.8438 87.807 -4.722 90.261 16 ALA A 39 ALA~? 19 HIS B 23 HIS~? 22 HIS B 27 HIS.? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 3 3 RMSD = 1.19 A TRANSFORM 0.0737 -0.7303 -0.6792 -0.5554 -0.5957 0.5802 -0.8283 0.3345 -0.4495 115.071 67.868 24.979 199 ASP A 29 ASP.? 218 GLU A 56 GLU~? 329 ASP B 40 ASP~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 4 3 RMSD = 1.22 A TRANSFORM -0.0898 -0.7878 -0.6094 -0.3070 -0.5601 0.7694 -0.9475 0.2562 -0.1916 119.943 55.275 25.132 199 ASP A 29 ASP.? 218 GLU B 11 GLU~? 329 ASP B 40 ASP~? ULMNm 3 1rtu_c00 RIBONUCLEASE U2 user 2 3 RMSD = 1.22 A TRANSFORM -0.4922 0.2905 0.8205 -0.7456 0.3456 -0.5697 -0.4491 -0.8923 0.0465 -0.040 52.056 77.838 41 HIS B 27 HIS.? 62 GLU B 26 GLU~? 101 HIS B 19 HIS~? ULMNm 3 1rtu_c00 RIBONUCLEASE U2 user 1 3 RMSD = 1.23 A TRANSFORM 0.4693 -0.3727 0.8005 0.7424 -0.3243 -0.5862 0.4781 0.8694 0.1245 8.357 45.163 -51.685 41 HIS A 27 HIS.? 62 GLU A 26 GLU~? 101 HIS A 19 HIS~? ULMNm 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 3 3 RMSD = 1.27 A TRANSFORM 0.7690 0.3639 0.5256 0.4162 -0.9090 0.0204 0.4852 0.2031 -0.8505 -2.488 76.971 42.525 16 ALA B 39 ALA~? 19 HIS A 23 HIS~? 22 HIS A 27 HIS.? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.29 A TRANSFORM -0.5486 0.7460 0.3775 0.2445 0.5750 -0.7808 -0.7995 -0.3360 -0.4979 -73.275 13.129 92.535 D 603 HIS A 27 HIS.? D 646 ASP A 29 ASP.? D 739 GLY A 72 GLY~? ULMNm 3 1aj8_c01 CITRATE SYNTHASE user 2 3 RMSD = 1.39 A TRANSFORM 0.2876 -0.9190 -0.2696 -0.9529 -0.2463 -0.1769 0.0962 0.3078 -0.9466 79.516 68.798 93.160 B 223 HIS A 27 HIS.? B 262 HIS A 19 HIS~? B 312 ASP A 25 ASP~? ULMNm 3 1al6_c00 CITRATE SYNTHASE user 2 3 RMSD = 1.39 A TRANSFORM -0.0089 0.5766 -0.8170 -0.0822 0.8139 0.5752 0.9966 0.0723 0.0402 -3.827 -63.804 -24.478 274 HIS A 27 HIS.? 320 HIS A 19 HIS~? 375 ASP A 25 ASP~? ULMNm 3 1ez2_c00 PHOSPHOTRIESTERASE user 1 3 RMSD = 1.39 A TRANSFORM -0.2769 0.8390 0.4684 0.9296 0.1105 0.3515 0.2431 0.5328 -0.8106 -7.179 -37.944 17.975 A 233 ASP A 29 ASP.? A 254 HIS A 27 HIS.? A 301 ASP B 40 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.40 A TRANSFORM -0.7940 -0.2125 0.5696 -0.3973 0.8905 -0.2216 -0.4602 -0.4022 -0.7915 29.799 -40.159 52.935 141 ASP A 25 ASP~? 166 GLY B 0 GLY~? 169 GLU A 60 GLU.? ULMNm 3 1aj8_c00 CITRATE SYNTHASE user 2 3 RMSD = 1.41 A TRANSFORM 0.0067 -0.6188 -0.7855 0.9998 0.0174 -0.0052 0.0168 -0.7853 0.6188 85.130 13.957 101.951 A 223 HIS A 27 HIS.? A 262 HIS A 19 HIS~? A 312 ASP A 25 ASP~? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 1 3 RMSD = 1.42 A TRANSFORM 0.1552 0.9784 0.1369 -0.1733 -0.1095 0.9788 0.9726 -0.1756 0.1525 -63.624 -11.012 -7.796 A 50 HIS A 27 HIS.? A 96 GLU A 26 GLU~? A 137 HIS A 19 HIS~? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 2 3 RMSD = 1.42 A TRANSFORM -0.1296 -0.9900 0.0559 0.1610 0.0346 0.9863 -0.9784 0.1368 0.1549 58.168 -29.241 33.942 A 50 HIS B 27 HIS.? A 96 GLU B 26 GLU~? A 137 HIS B 19 HIS~? ULMNm 3 1aj8_c01 CITRATE SYNTHASE user 4 3 RMSD = 1.42 A TRANSFORM -0.2898 0.9365 -0.1973 0.9526 0.2624 -0.1537 -0.0921 -0.2324 -0.9682 -9.713 -18.642 129.818 B 223 HIS B 27 HIS.? B 262 HIS B 19 HIS~? B 312 ASP B 25 ASP~? ULMNm 3 1al6_c00 CITRATE SYNTHASE user 4 3 RMSD = 1.42 A TRANSFORM 0.0132 -0.5103 -0.8599 0.0831 -0.8565 0.5095 -0.9965 -0.0782 0.0311 57.898 27.392 44.982 274 HIS B 27 HIS.? 320 HIS B 19 HIS~? 375 ASP B 25 ASP~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 14 3 RMSD = 1.44 A TRANSFORM -0.8351 -0.0773 -0.5446 0.2689 0.8064 -0.5266 0.4799 -0.5862 -0.6527 22.721 -5.341 166.337 A 70 ALA B 54 ALA~? A 126 LEU B 61 LEU.? A 158 GLU B 60 GLU.? ULMNm 3 1ff3_c01 PEPTIDE METHIONINE SULFOXIDE REDUCTAuser 3 3 RMSD = 1.44 A TRANSFORM 0.0354 -0.9588 -0.2818 0.0994 0.2839 -0.9537 0.9944 0.0057 0.1053 104.126 13.092 -19.513 A 94 GLU B 56 GLU~? A 198 CYH B 45 CYH~? A 206 CYH A 45 CYH~? ULMNm 3 1ff3_c00 PEPTIDE METHIONINE SULFOXIDE REDUCTAuser 3 3 RMSD = 1.44 A TRANSFORM 0.0354 -0.9588 -0.2818 0.0994 0.2839 -0.9537 0.9944 0.0057 0.1053 104.126 13.092 -19.513 A 94 GLU B 56 GLU~? A 198 CYH B 45 CYH~? A 206 CYH A 45 CYH~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 14 3 RMSD = 1.44 A TRANSFORM 0.6585 0.7266 -0.1960 0.6293 -0.3888 0.6730 0.4128 -0.5665 -0.7132 -41.574 -9.603 168.550 C 70 ALA B 54 ALA~? C 126 LEU B 61 LEU.? C 158 GLU B 60 GLU.? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 14 3 RMSD = 1.44 A TRANSFORM 0.2249 -0.7112 0.6661 -0.8552 -0.4716 -0.2148 0.4669 -0.5213 -0.7143 -13.074 47.828 166.321 B 70 ALA B 54 ALA~? B 126 LEU B 61 LEU.? B 158 GLU B 60 GLU.? ULMNm 3 1ez2_c01 PHOSPHOTRIESTERASE user 1 3 RMSD = 1.44 A TRANSFORM -0.2452 0.8707 0.4263 -0.9374 -0.1008 -0.3333 -0.2472 -0.4813 0.8409 -7.339 2.243 14.068 B 233 ASP A 29 ASP.? B 254 HIS A 27 HIS.? B 301 ASP B 40 ASP~? ULMNm 3 1aj8_c00 CITRATE SYNTHASE user 3 3 RMSD = 1.45 A TRANSFORM -0.0063 0.6788 -0.7343 -0.9998 -0.0200 -0.0099 -0.0214 0.7340 0.6788 10.696 77.102 15.791 A 223 HIS B 27 HIS.? A 262 HIS B 19 HIS~? A 312 ASP B 25 ASP~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 12 3 RMSD = 1.45 A TRANSFORM 0.0914 0.9470 0.3081 -0.6943 0.2824 -0.6620 -0.7138 -0.1534 0.6833 -11.738 62.773 23.869 199 ASP B 34 ASP~? 242 GLU B 77 GLU~? 329 ASP A 34 ASP~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 5 3 RMSD = 1.45 A TRANSFORM -0.0641 -0.9675 0.2446 0.6682 -0.2236 -0.7095 0.7412 0.1180 0.6609 102.913 50.637 -35.627 199 ASP A 34 ASP~? 242 GLU A 77 GLU~? 329 ASP B 34 ASP~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.46 A TRANSFORM -0.4488 -0.1682 0.8777 0.1566 -0.9817 -0.1080 0.8798 0.0890 0.4669 59.865 -33.504 -167.383 A 420 ALA B 2 ALA~? B 182 GLY A 65 GLY~? B 183 GLY B 0 GLY~? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 3 RMSD = 1.49 A TRANSFORM -0.8344 0.3156 -0.4518 0.5083 0.1238 -0.8522 -0.2130 -0.9408 -0.2637 40.522 82.623 57.282 193 ASP A 3 ASP~? 231 ASP B 25 ASP~? 294 ASP A 5 ASP~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 1 3 RMSD = 1.50 A TRANSFORM -0.7497 0.2178 -0.6249 0.2106 -0.8167 -0.5372 -0.6273 -0.5344 0.5665 25.391 63.506 118.331 A 241 ASP A 3 ASP~? A 265 GLU A 11 GLU~? A 369 ASP B 62 ASP~?