*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 4 3 RMSD = 0.96 A TRANSFORM 0.9420 0.0499 0.3319 0.0029 -0.9901 0.1406 0.3357 -0.1315 -0.9328 45.963 46.490 -6.882 A 261 GLY A 101 GLY.? B 17 GLN A 157 GLN^? B 140 GLU A 9 GLU.? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 5 3 RMSD = 0.97 A TRANSFORM -0.7231 -0.6323 -0.2781 -0.0065 -0.3963 0.9181 -0.6907 0.6657 0.2824 109.131 55.894 -24.369 A 261 GLY B 101 GLY.? B 17 GLN B 129 GLN^? B 140 GLU B 9 GLU.? ULMNm 3 1cns_c01 CHITINASE user 3 3 RMSD = 1.08 A TRANSFORM 0.2350 0.2269 -0.9452 -0.9309 -0.2274 -0.2860 -0.2798 0.9470 0.1578 21.125 5.436 17.633 B 67 GLU A 36 GLU.? B 89 GLU A 40 GLU^? B 120 SER A 93 SER^? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 8 3 RMSD = 1.09 A TRANSFORM -0.9796 -0.0796 0.1846 -0.0341 0.9708 0.2373 -0.1981 0.2262 -0.9537 82.508 -39.178 -17.515 A 261 GLY B 101 GLY.? B 17 GLN B 157 GLN^? B 140 GLU B 9 GLU.? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 6 3 RMSD = 1.21 A TRANSFORM 0.2539 -0.8205 -0.5121 -0.9602 -0.2776 -0.0313 -0.1164 0.4996 -0.8584 38.231 45.924 -36.009 A 14 GLU B 14 GLU~? A 61 GLU B 9 GLU.? A 162 HIS B 13 HIS~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 8 3 RMSD = 1.21 A TRANSFORM 0.6523 -0.4523 -0.6083 -0.7036 -0.0627 -0.7078 0.2820 0.8897 -0.3591 15.750 29.822 -57.397 A 14 GLU B 14 GLU~? A 61 GLU B 46 GLU.? A 162 HIS B 13 HIS~? ULMNm 3 1cns_c00 CHITINASE user 2 3 RMSD = 1.27 A TRANSFORM 0.8625 0.4319 0.2638 0.4833 -0.5483 -0.6824 -0.1501 0.7161 -0.6817 -61.837 15.608 44.749 A 67 GLU A 14 GLU~? A 89 GLU A 75 GLU~? A 120 SER A 78 SER.? ULMNm 3 1cns_c00 CHITINASE user 5 3 RMSD = 1.28 A TRANSFORM -0.2182 0.4208 -0.8805 -0.5351 0.7029 0.4685 0.8161 0.5734 0.0717 -51.181 -6.515 38.903 A 67 GLU A 151 GLU.? A 89 GLU A 75 GLU~? A 120 SER A 77 SER~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.30 A TRANSFORM 0.0773 0.0839 0.9935 0.7134 0.6915 -0.1139 -0.6965 0.7175 -0.0064 74.081 -49.263 -9.381 A 67 ASP B 139 ASP~? A 68 ALA B 142 ALA~? A 72 LEU B 146 LEU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.31 A TRANSFORM -0.4639 -0.8841 -0.0572 -0.5079 0.3183 -0.8004 0.7259 -0.3422 -0.5967 86.278 98.105 125.437 C 141 GLY A 101 GLY.? C 144 GLU A 128 GLU.? C 164 GLU A 9 GLU.? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.31 A TRANSFORM 0.0576 -0.5515 -0.8322 0.3808 -0.7584 0.5290 -0.9228 -0.3474 0.1663 61.849 87.856 182.213 F 141 GLY A 101 GLY.? F 144 GLU A 128 GLU.? F 164 GLU A 9 GLU.? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.32 A TRANSFORM 0.6036 0.7960 -0.0456 0.4770 -0.3146 0.8207 0.6389 -0.5171 -0.5695 54.852 87.788 128.643 D 141 GLY A 101 GLY.? D 144 GLU A 128 GLU.? D 164 GLU A 9 GLU.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.33 A TRANSFORM -0.4436 -0.8072 -0.3895 0.3868 0.2196 -0.8956 0.8084 -0.5480 0.2148 33.798 -6.193 9.023 141 ASP A 80 ASP^? 166 GLY A 73 GLY.? 169 GLU B 63 GLU~? ULMNm 3 1cns_c01 CHITINASE user 12 3 RMSD = 1.34 A TRANSFORM 0.9224 -0.0823 0.3774 0.2238 0.9103 -0.3484 -0.3149 0.4058 0.8580 10.439 -69.748 29.605 B 67 GLU B 14 GLU~? B 89 GLU B 75 GLU~? B 120 SER B 78 SER.? ULMNm 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 3 3 RMSD = 1.34 A TRANSFORM -0.3798 0.2130 0.9002 -0.2978 -0.9495 0.0990 0.8758 -0.2305 0.4240 34.903 47.914 41.589 111 GLN A 129 GLN^? 294 GLU A 9 GLU.? 304 ARG A 131 ARG^? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.35 A TRANSFORM -0.9489 0.2660 0.1697 0.0082 -0.5168 0.8561 0.3155 0.8137 0.4882 102.383 102.133 149.103 E 141 GLY A 101 GLY.? E 144 GLU A 128 GLU.? E 164 GLU A 9 GLU.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.37 A TRANSFORM -0.2000 -0.1724 0.9645 -0.6928 -0.6712 -0.2636 0.6928 -0.7210 0.0149 86.568 33.900 32.193 A 67 ASP A 139 ASP~? A 68 ALA A 142 ALA~? A 72 LEU A 146 LEU~? ULMNm 3 3hde_o01 LYSOZYME user 1 3 RMSD = 1.38 A TRANSFORM 0.0619 -0.5904 0.8047 0.8764 -0.3537 -0.3269 0.4777 0.7255 0.4955 9.312 -0.043 -68.047 B 35 GLU A 63 GLU~? B 44 ASP A 31 ASP~? B 50 THR B 28 THR~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.39 A TRANSFORM -0.1982 0.5025 0.8416 -0.3878 0.7483 -0.5382 -0.9002 -0.4330 0.0466 87.988 97.537 180.070 B 141 GLY A 101 GLY.? B 144 GLU A 128 GLU.? B 164 GLU A 9 GLU.? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 3 3 RMSD = 1.39 A TRANSFORM 0.1800 -0.3374 -0.9240 0.5938 0.7861 -0.1714 0.7842 -0.5178 0.3419 28.473 -0.978 37.990 B 1 SER A 68 SER~? B 69 ALA A 22 ALA~? B 241 ASN A 21 ASN~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.40 A TRANSFORM 0.7440 0.6450 -0.1746 -0.0366 0.3003 0.9531 0.6672 -0.7027 0.2470 29.662 22.526 13.321 A 261 GLY A 101 GLY.? B 17 GLN A 129 GLN^? B 140 GLU A 9 GLU.? ULMNm 3 1cns_c00 CHITINASE user 3 3 RMSD = 1.40 A TRANSFORM 0.3719 0.3573 0.8568 -0.2399 -0.8546 0.4605 0.8967 -0.3768 -0.2321 -57.255 27.412 73.611 A 67 GLU A 36 GLU.? A 89 GLU A 40 GLU^? A 120 SER A 93 SER^? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 7 3 RMSD = 1.41 A TRANSFORM 0.8756 0.4826 0.0204 -0.4722 0.8464 0.2462 0.1015 -0.2252 0.9690 18.285 -26.687 30.290 A 261 GLY B 101 GLY.? B 17 GLN B 154 GLN.? B 140 GLU B 103 GLU~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 6 3 RMSD = 1.42 A TRANSFORM 0.0328 0.3444 -0.9383 -0.5733 -0.7625 -0.2999 -0.8187 0.5477 0.1724 -0.911 86.923 15.830 B 1 SER B 68 SER~? B 69 ALA B 22 ALA~? B 241 ASN B 21 ASN~? ULMNm 3 1qfl_c01 ACETOACETYL-COA THIOLASE user 1 3 RMSD = 1.44 A TRANSFORM -0.9393 -0.0759 -0.3346 -0.1691 0.9510 0.2590 0.2985 0.2999 -0.9061 36.298 -29.985 -12.841 B 348 HIS B 76 HIS~? B 378 CYH B 69 CYH~? B 380 GLY B 73 GLY.? ULMNm 3 1qfl_c03 ACETOACETYL-COA THIOLASE user 1 3 RMSD = 1.46 A TRANSFORM -0.2793 -0.8983 -0.3392 0.9128 -0.3580 0.1966 -0.2980 -0.2547 0.9200 56.943 0.459 79.787 D 348 HIS B 76 HIS~? D 378 CYH B 69 CYH~? D 380 GLY B 73 GLY.? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.46 A TRANSFORM 0.4974 -0.4566 0.7376 0.2430 -0.7429 -0.6237 0.8328 0.4895 -0.2586 67.154 78.281 124.903 F 141 GLY A 101 GLY.? F 144 GLU A 128 GLU.? F 164 GLU A 103 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.46 A TRANSFORM -0.9792 0.0521 0.1963 -0.1951 -0.5108 -0.8373 0.0566 -0.8581 0.5103 104.905 88.239 158.591 D 141 GLY A 101 GLY.? D 144 GLU A 128 GLU.? D 164 GLU A 103 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.46 A TRANSFORM 0.9706 -0.2193 -0.0995 0.2059 0.5411 0.8154 -0.1250 -0.8119 0.5703 42.915 95.808 164.412 C 141 GLY A 101 GLY.? C 144 GLU A 128 GLU.? C 164 GLU A 103 GLU~? ULMNm 3 1qfl_c00 ACETOACETYL-COA THIOLASE user 1 3 RMSD = 1.47 A TRANSFORM 0.9389 0.0674 0.3375 0.1621 -0.9517 -0.2608 0.3036 0.2996 -0.9045 6.373 30.054 -12.919 A 348 HIS B 76 HIS~? A 378 CYH B 69 CYH~? A 380 GLY B 73 GLY.? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.48 A TRANSFORM 0.3890 0.9060 -0.1670 0.2612 -0.2823 -0.9231 -0.8834 0.3155 -0.3465 58.603 73.682 175.172 E 141 GLY A 101 GLY.? E 144 GLU A 128 GLU.? E 164 GLU A 103 GLU~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 10 3 RMSD = 1.49 A TRANSFORM -0.3109 -0.9215 -0.2328 0.7244 -0.0712 -0.6857 0.6152 -0.3819 0.6897 47.080 13.641 6.619 A 14 GLU B 75 GLU~? A 61 GLU B 63 GLU~? A 162 HIS B 76 HIS~? ULMNm 3 1qfl_c02 ACETOACETYL-COA THIOLASE user 1 3 RMSD = 1.50 A TRANSFORM 0.2559 0.8716 0.4181 -0.9170 0.3558 -0.1805 -0.3061 -0.3372 0.8903 -10.067 0.705 82.825 C 348 HIS B 76 HIS~? C 378 CYH B 69 CYH~? C 380 GLY B 73 GLY.?