*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 7 3 RMSD = 0.75 A TRANSFORM -0.2787 0.5701 -0.7729 0.4192 -0.6519 -0.6320 0.8641 0.5001 0.0573 118.902 64.876 -10.497 B 550 GLN B 51 GLN~? B 591 LEU B 54 LEU~? B 633 GLU A 66 GLU~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 7 3 RMSD = 0.76 A TRANSFORM -0.3384 0.7801 0.5262 0.0638 -0.5389 0.8400 -0.9388 -0.3178 -0.1326 18.831 21.758 136.382 A 50 GLN B 51 GLN~? A 91 LEU B 54 LEU~? A 133 GLU A 66 GLU~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 8 3 RMSD = 0.76 A TRANSFORM -0.1013 0.1200 0.9876 0.3813 -0.9122 0.1499 -0.9189 -0.3917 -0.0466 30.440 33.133 110.265 C1050 GLN B 51 GLN~? C1091 LEU B 54 LEU~? C1133 GLU A 66 GLU~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 8 3 RMSD = 0.81 A TRANSFORM -0.1024 0.7018 -0.7050 -0.9337 0.1768 0.3115 -0.3432 -0.6901 -0.6371 52.114 90.060 133.852 A 50 GLN B 51 GLN~? A 91 LEU B 54 LEU~? A 133 GLU A 66 GLU~? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 5 3 RMSD = 0.82 A TRANSFORM -0.6619 -0.2024 -0.7218 0.7358 0.0085 -0.6771 -0.1432 0.9793 -0.1433 177.179 62.493 -5.831 B 137 GLY B 10 GLY~? B 175 ARG B 16 ARG~? B 242 TYR B 17 TYR~? ULMNm 3 1jqn_c01 PHOSPHOENOLPYRUVATE CARBOXYLASE user 18 3 RMSD = 0.91 A TRANSFORM -0.5715 -0.1477 -0.8072 0.8087 0.0655 -0.5846 -0.1392 0.9869 -0.0820 90.686 -1.208 -34.963 A 396 ARG A 89 ARG~? A 581 ARG A 82 ARG~? A 713 ARG B 56 ARG.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.06 A TRANSFORM -0.1547 0.3917 -0.9070 -0.8630 -0.5005 -0.0690 0.4810 -0.7720 -0.4154 10.722 72.996 15.088 141 ASP A 4 ASP~? 166 GLY A 41 GLY~? 169 GLU A 66 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 16 3 RMSD = 1.08 A TRANSFORM -0.6008 0.5593 -0.5712 0.4792 0.8239 0.3026 -0.6398 0.0919 0.7630 13.930 -67.093 150.631 B 70 ALA B 94 ALA.? B 126 LEU B 62 LEU~? B 158 GLU B 66 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 15 3 RMSD = 1.08 A TRANSFORM 0.6887 0.4385 0.5774 0.2264 -0.8866 0.4033 -0.6888 0.1471 0.7099 -91.008 27.469 152.475 A 70 ALA B 94 ALA.? A 126 LEU B 62 LEU~? A 158 GLU B 66 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.08 A TRANSFORM -0.9522 -0.1471 0.2678 -0.3045 0.5294 -0.7918 0.0253 0.8355 0.5489 36.244 48.875 -57.780 141 ASP B 4 ASP~? 166 GLY B 41 GLY~? 169 GLU B 66 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 8 3 RMSD = 1.09 A TRANSFORM 0.8662 -0.4161 0.2768 0.3312 0.8928 0.3054 0.3742 0.1729 -0.9111 -44.422 -26.363 155.590 A 70 ALA A 94 ALA.? A 126 LEU A 62 LEU~? A 158 GLU A 66 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 9 3 RMSD = 1.09 A TRANSFORM -0.6832 -0.5472 -0.4835 0.5872 -0.8053 0.0816 0.4340 0.2281 -0.8715 37.413 0.154 151.251 B 70 ALA A 94 ALA.? B 126 LEU A 62 LEU~? B 158 GLU A 66 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 8 3 RMSD = 1.11 A TRANSFORM -0.1380 0.9840 0.1124 -0.8762 -0.0684 -0.4771 0.4618 0.1644 -0.8716 -26.581 57.737 151.001 C 70 ALA A 94 ALA.? C 126 LEU A 62 LEU~? C 158 GLU A 66 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 15 3 RMSD = 1.12 A TRANSFORM -0.1573 -0.9848 0.0732 -0.7713 0.0762 -0.6319 -0.6167 0.1559 0.7716 43.244 70.872 145.605 C 70 ALA B 94 ALA.? C 126 LEU B 62 LEU~? C 158 GLU B 66 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.16 A TRANSFORM -0.2972 0.6007 -0.7422 -0.8849 0.1186 0.4503 -0.3586 -0.7906 -0.4963 7.407 41.319 59.629 141 ASP A 4 ASP~? 166 GLY A 41 GLY~? 169 GLU A 70 GLU~? ULMNm 3 1smn_c01 EXTRACELLULAR ENDONUCLEASE user 2 3 RMSD = 1.22 A TRANSFORM 0.3977 -0.3243 -0.8583 0.4397 -0.7537 0.4885 0.8053 0.5717 0.1571 1.178 18.559 -28.767 B 87 ARG A 56 ARG.? B 89 HIS A 50 HIS~? B 119 ASN A 61 ASN~? ULMNm 3 1smn_c00 EXTRACELLULAR ENDONUCLEASE user 2 3 RMSD = 1.23 A TRANSFORM -0.3975 0.3400 0.8523 0.4399 -0.7445 0.5022 -0.8053 -0.5745 -0.1463 -3.166 17.910 131.915 A 87 ARG A 56 ARG.? A 89 HIS A 50 HIS~? A 119 ASN A 61 ASN~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 14 3 RMSD = 1.28 A TRANSFORM -0.0946 -0.7217 0.6857 -0.3042 0.6768 0.6704 0.9479 0.1451 0.2836 -2.039 -48.168 69.843 C 70 ALA B 88 ALA~? C 126 LEU B 85 LEU~? C 158 GLU B 66 GLU~? ULMNm 3 1smn_c00 EXTRACELLULAR ENDONUCLEASE user 4 3 RMSD = 1.30 A TRANSFORM 0.6188 -0.5316 -0.5784 0.7481 0.6233 0.2275 -0.2395 0.5735 -0.7834 26.804 -46.236 101.073 A 87 ARG B 56 ARG.? A 89 HIS B 50 HIS~? A 119 ASN B 61 ASN~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 14 3 RMSD = 1.31 A TRANSFORM 0.3969 -0.2121 -0.8930 0.0974 -0.9577 0.2707 0.9127 0.1944 0.3595 27.235 45.076 65.124 A 70 ALA B 88 ALA~? A 126 LEU B 85 LEU~? A 158 GLU B 66 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.31 A TRANSFORM -0.6682 0.5539 0.4967 0.6235 0.0528 0.7800 -0.4058 -0.8309 0.3806 -9.798 -14.317 197.585 A 70 ALA A 14 ALA~? A 126 LEU A 11 LEU~? A 158 GLU A 19 GLU~? ULMNm 3 1smn_c01 EXTRACELLULAR ENDONUCLEASE user 4 3 RMSD = 1.32 A TRANSFORM -0.6278 0.5177 0.5813 0.7371 0.6353 0.2302 0.2502 -0.5730 0.7804 -27.579 -46.246 1.835 B 87 ARG B 56 ARG.? B 89 HIS B 50 HIS~? B 119 ASN B 61 ASN~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 15 3 RMSD = 1.32 A TRANSFORM -0.1994 0.9497 0.2416 0.3041 0.2943 -0.9061 0.9316 0.1072 0.3474 -67.950 25.808 69.725 B 70 ALA B 88 ALA~? B 126 LEU B 85 LEU~? B 158 GLU B 66 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.33 A TRANSFORM -0.2432 -0.3958 -0.8856 -0.8934 0.4469 0.0456 -0.3777 -0.8023 0.4623 13.612 24.424 195.371 B 70 ALA A 14 ALA~? B 126 LEU A 11 LEU~? B 158 GLU A 19 GLU~? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 9 3 RMSD = 1.34 A TRANSFORM -0.8665 -0.2978 0.4005 -0.2294 -0.4751 -0.8495 -0.4433 0.8280 -0.3434 36.916 65.437 41.156 C 124 ALA B 88 ALA~? C 126 ARG B 90 ARG~? C 138 GLU B 66 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.34 A TRANSFORM 0.8664 -0.2447 0.4353 0.2288 -0.5802 -0.7817 -0.4439 -0.7768 0.4467 -32.612 25.745 196.497 C 70 ALA A 14 ALA~? C 126 LEU A 11 LEU~? C 158 GLU A 19 GLU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.35 A TRANSFORM -0.6777 0.7242 -0.1275 -0.2581 -0.3967 -0.8809 0.6886 0.5641 -0.4558 94.471 195.137 113.704 B 141 GLY B 33 GLY~? B 144 GLU B 34 GLU~? B 164 GLU B 35 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 1.36 A TRANSFORM 0.4895 0.8511 -0.1895 0.5021 -0.4529 -0.7367 0.7129 -0.2655 0.6491 -46.382 3.967 97.931 C 70 ALA A 88 ALA~? C 126 LEU A 85 LEU~? C 158 GLU A 66 GLU~? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 8 3 RMSD = 1.37 A TRANSFORM -0.8586 -0.2920 0.4213 0.2545 0.4704 0.8449 0.4449 -0.8327 0.3296 35.090 -64.032 41.827 E 124 ALA B 88 ALA~? E 126 ARG B 90 ARG~? E 138 GLU B 66 GLU~? ULMNm 3 1smn_c01 EXTRACELLULAR ENDONUCLEASE user 3 3 RMSD = 1.38 A TRANSFORM -0.5269 0.6486 -0.5493 0.5261 0.7565 0.3886 -0.6676 0.0842 0.7398 11.658 -44.770 35.855 B 87 ARG B 52 ARG~? B 89 HIS B 50 HIS~? B 119 ASN B 61 ASN~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 1.38 A TRANSFORM -0.6104 -0.0559 0.7901 0.1972 0.9554 0.2200 0.7671 -0.2901 0.5721 6.814 -18.424 97.135 A 70 ALA A 88 ALA~? A 126 LEU A 85 LEU~? A 158 GLU A 66 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 9 3 RMSD = 1.39 A TRANSFORM 0.4793 0.2076 0.8527 -0.7192 0.6498 0.2461 0.5030 0.7312 -0.4608 -66.240 -2.485 131.434 C 70 ALA B 14 ALA~? C 126 LEU B 11 LEU~? C 158 GLU B 19 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 7 3 RMSD = 1.39 A TRANSFORM 0.2011 -0.8232 -0.5309 -0.6205 -0.5264 0.5813 0.7580 -0.2125 0.6167 -0.105 39.957 95.637 B 70 ALA A 88 ALA~? B 126 LEU A 85 LEU~? B 158 GLU A 66 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 9 3 RMSD = 1.40 A TRANSFORM 0.4321 -0.5939 -0.6787 0.7868 -0.1196 0.6055 0.4408 0.7956 -0.4156 25.188 -31.498 129.355 A 70 ALA B 14 ALA~? A 126 LEU B 11 LEU~? A 158 GLU B 19 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 10 3 RMSD = 1.40 A TRANSFORM -0.8541 0.4693 -0.2242 -0.0116 -0.4482 -0.8939 0.5200 0.7608 -0.3883 4.969 62.658 127.261 B 70 ALA B 14 ALA~? B 126 LEU B 11 LEU~? B 158 GLU B 19 GLU~? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 9 3 RMSD = 1.40 A TRANSFORM 0.6210 0.5992 0.5053 -0.6657 0.0628 0.7436 -0.4138 0.7981 -0.4379 -80.701 4.297 44.642 B 124 ALA B 88 ALA~? B 126 ARG B 90 ARG~? B 138 GLU B 66 GLU~? ULMNm 3 1smn_c00 EXTRACELLULAR ENDONUCLEASE user 3 3 RMSD = 1.41 A TRANSFORM 0.5128 -0.6590 0.5503 0.5297 0.7473 0.4013 0.6756 -0.0857 -0.7323 -12.163 -45.091 66.796 A 87 ARG B 52 ARG~? A 89 HIS B 50 HIS~? A 119 ASN B 61 ASN~? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 8 3 RMSD = 1.41 A TRANSFORM 0.6162 0.5990 0.5113 0.6649 -0.0477 -0.7454 0.4221 -0.7993 0.4277 -80.721 -2.141 37.676 D 124 ALA B 88 ALA~? D 126 ARG B 90 ARG~? D 138 GLU B 66 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.41 A TRANSFORM 0.7657 -0.6420 0.0389 0.2795 0.3866 0.8789 0.5792 0.6621 -0.4754 47.697 -10.532 118.211 F 141 GLY B 33 GLY~? F 144 GLU B 34 GLU~? F 164 GLU B 35 GLU~? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 9 3 RMSD = 1.42 A TRANSFORM 0.2252 -0.3114 -0.9232 -0.8410 -0.5406 -0.0228 0.4920 -0.7815 0.3836 32.647 67.821 35.117 F 124 ALA B 88 ALA~? F 126 ARG B 90 ARG~? F 138 GLU B 66 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.42 A TRANSFORM 0.0735 0.5778 -0.8129 0.0950 0.8073 0.5824 -0.9928 0.1200 -0.0045 101.669 4.431 215.687 E 141 GLY B 33 GLY~? E 144 GLU B 34 GLU~? E 164 GLU B 35 GLU~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.43 A TRANSFORM -0.9083 0.4146 -0.0560 -0.1033 -0.3519 -0.9303 0.4054 0.8392 -0.3624 52.852 82.589 -57.514 A 465 GLY B 58 GLY~? A 501 ASP B 80 ASP~? B 367 TYR A 17 TYR~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.43 A TRANSFORM 0.9388 0.3354 0.0787 0.2429 -0.4824 -0.8416 0.2443 -0.8092 0.5344 -12.850 161.727 134.624 C 141 GLY B 33 GLY~? C 144 GLU B 34 GLU~? C 164 GLU B 35 GLU~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.44 A TRANSFORM -0.4702 0.5707 0.6732 0.7613 -0.1236 0.6365 -0.4465 -0.8118 0.3763 5.957 -12.237 -7.356 D 465 GLY B 58 GLY~? D 501 ASP B 80 ASP~? E 367 TYR A 17 TYR~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.44 A TRANSFORM -0.8791 -0.4749 0.0403 -0.2388 0.5121 0.8251 0.4124 -0.7157 0.5636 152.747 22.698 116.752 D 141 GLY B 33 GLY~? D 144 GLU B 34 GLU~? D 164 GLU B 35 GLU~? ULMNm 3 1dj1_c00 CYTOCHROME C PEROXIDASE user 3 3 RMSD = 1.45 A TRANSFORM 0.0923 0.5287 -0.8438 0.8162 0.4452 0.3683 -0.5703 0.7227 0.3905 15.858 -55.354 -6.915 A 48 ALA B 47 ALA~? A 52 HIS B 50 HIS~? A 191 TRP B 12 TRP~? ULMNm 3 1pyl_c00 RIBONUCLEASE user 3 3 RMSD = 1.45 A TRANSFORM 0.0780 -0.4719 -0.8782 0.0736 -0.8758 0.4771 0.9942 0.1018 0.0336 67.400 -2.301 -32.068 A 56 GLU B 19 GLU~? A 67 ARG B 53 ARG~? A 86 HIS B 50 HIS~? ULMNm 3 1asy_c01 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 6 3 RMSD = 1.47 A TRANSFORM 0.1453 -0.4015 -0.9043 0.8795 -0.3661 0.3039 0.4531 0.8395 -0.3000 129.988 8.649 -49.056 A 325 ARG B 13 ARG~? A 342 ASP B 80 ASP~? A 531 ARG B 91 ARG~? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 3 3 RMSD = 1.49 A TRANSFORM -0.1596 0.0374 0.9865 -0.8420 -0.5268 -0.1162 -0.5153 0.8492 -0.1156 -36.372 79.467 62.520 E 124 ALA A 94 ALA.? E 126 ARG A 52 ARG~? E 138 GLU A 66 GLU~? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.49 A TRANSFORM 0.9683 0.0691 0.2401 0.2242 0.1831 -0.9572 0.1101 -0.9807 -0.1618 -68.220 87.428 155.043 A 1 ALA B 47 ALA~? A 74 ASN B 61 ASN~? A 75 GLY B 58 GLY~? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.50 A TRANSFORM 0.6287 -0.2697 0.7294 -0.7583 -0.4207 0.4980 -0.1726 0.8662 0.4690 -41.486 96.386 84.070 A 1 ALA A 47 ALA~? A 74 ASN A 61 ASN~? A 75 GLY A 58 GLY~?