*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1pix_c02 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 11 4 RMSD = 0.92 A TRANSFORM 0.9798 -0.1180 -0.1615 -0.0701 0.5535 -0.8299 -0.1873 -0.8244 -0.5341 7.573 141.994 36.970 A 457 ALA B 80 ALA~? A 458 ALA B 81 ALA~? B 193 ALA B 32 ALA^? B 194 GLY B 31 GLY.? ULMNm 4 1pix_c03 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 10 4 RMSD = 0.94 A TRANSFORM -0.8044 0.5204 0.2866 0.2396 -0.1573 0.9580 -0.5436 -0.8393 -0.0019 92.237 64.580 38.814 A 193 ALA B 32 ALA^? A 194 GLY B 31 GLY.? B 457 ALA B 80 ALA~? B 458 ALA B 81 ALA~? ULMNm 4 1pix_c02 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 5 4 RMSD = 1.01 A TRANSFORM 0.3073 0.6141 -0.7269 0.9475 -0.2685 0.1737 0.0885 0.7421 0.6644 28.238 106.153 -5.452 A 457 ALA A 80 ALA~? A 458 ALA A 81 ALA~? B 193 ALA A 32 ALA^? B 194 GLY A 31 GLY.? ULMNm 4 1pix_c03 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 4 4 RMSD = 1.03 A TRANSFORM -0.2135 -0.8992 0.3818 -0.8599 -0.0125 -0.5103 -0.4637 0.4373 0.7706 88.253 116.899 11.330 A 193 ALA A 32 ALA^? A 194 GLY A 31 GLY.? B 457 ALA A 80 ALA~? B 458 ALA A 81 ALA~? ULMNm 4 1pix_c02 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 10 4 RMSD = 1.38 A TRANSFORM 0.8366 0.1709 -0.5205 0.4983 -0.6322 0.5933 0.2276 0.7557 0.6141 19.817 95.358 1.346 A 457 ALA B 80 ALA~? A 458 ALA B 81 ALA~? B 193 ALA B 30 ALA.? B 194 GLY B 31 GLY.? ULMNm 4 1pix_c02 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 4 4 RMSD = 1.39 A TRANSFORM 0.7267 0.4108 -0.5505 -0.6812 0.5344 -0.5004 -0.0886 -0.7387 -0.6682 21.432 134.256 46.726 A 457 ALA A 80 ALA~? A 458 ALA A 81 ALA~? B 193 ALA A 30 ALA.? B 194 GLY A 31 GLY.? ULMNm 4 1pix_c03 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 8 4 RMSD = 1.41 A TRANSFORM -0.7903 -0.5467 0.2767 -0.4659 0.2430 -0.8508 -0.3979 0.8013 0.4467 91.295 123.107 25.449 A 193 ALA B 30 ALA.? A 194 GLY B 31 GLY.? B 457 ALA B 80 ALA~? B 458 ALA B 81 ALA~? ULMNm 4 1pix_c03 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 2 4 RMSD = 1.42 A TRANSFORM -0.6969 0.0049 0.7172 0.7129 -0.1043 0.6934 -0.0781 -0.9945 -0.0692 75.240 68.351 43.371 A 193 ALA A 30 ALA.? A 194 GLY A 31 GLY.? B 457 ALA A 80 ALA~? B 458 ALA A 81 ALA~? ULMNm 4 1dub_c03 2-ENOYL-COA HYDRATASE user 4 4 RMSD = 1.45 A TRANSFORM 0.5969 -0.6828 -0.4213 -0.7470 -0.6646 0.0188 0.2928 -0.3034 0.9067 76.159 108.461 99.818 D 98 ALA B 81 ALA~? D 141 GLY B 85 GLY~? D 144 GLU B 89 GLU~? D 164 GLU B 86 GLU~? ULMNm 4 1dub_c01 2-ENOYL-COA HYDRATASE user 4 4 RMSD = 1.48 A TRANSFORM -0.4114 -0.1447 -0.8999 0.7973 0.4214 -0.4322 -0.4417 0.8953 0.0580 126.791 95.480 165.518 B 98 ALA B 81 ALA~? B 141 GLY B 85 GLY~? B 144 GLU B 89 GLU~? B 164 GLU B 86 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 0.65 A TRANSFORM -0.8398 0.1228 0.5289 0.3287 0.8903 0.3152 0.4322 -0.4385 0.7880 7.437 -6.358 110.306 A 70 ALA B 16 ALA.? A 126 LEU B 17 LEU.? A 158 GLU B 94 GLU.? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 0.66 A TRANSFORM 0.1756 -0.8697 -0.4613 -0.8900 -0.3406 0.3033 0.4209 -0.3573 0.8338 -9.905 34.917 109.819 B 70 ALA B 16 ALA.? B 126 LEU B 17 LEU.? B 158 GLU B 94 GLU.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 0.66 A TRANSFORM 0.7096 0.7042 0.0247 0.6028 -0.5885 -0.5388 0.3648 -0.3972 0.8421 -35.847 -1.265 111.350 C 70 ALA B 16 ALA.? C 126 LEU B 17 LEU.? C 158 GLU B 94 GLU.? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.04 A TRANSFORM 0.4242 0.3182 0.8478 0.8294 0.2392 -0.5048 0.3634 -0.9174 0.1625 68.763 99.837 161.629 B 141 GLY A 85 GLY~? B 144 GLU A 89 GLU~? B 164 GLU A 86 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.07 A TRANSFORM -0.2436 -0.9695 0.0258 0.6401 -0.1807 -0.7468 -0.7287 0.1655 -0.6646 78.069 102.906 150.802 C 141 GLY A 85 GLY~? C 144 GLU A 89 GLU~? C 164 GLU A 86 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.08 A TRANSFORM -0.3567 -0.4529 -0.8171 -0.8263 -0.2552 0.5022 0.4360 -0.8542 0.2832 78.262 85.548 160.964 F 141 GLY A 85 GLY~? F 144 GLU A 89 GLU~? F 164 GLU A 86 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.08 A TRANSFORM 0.0871 0.9863 -0.1401 -0.6183 0.1638 0.7687 -0.7811 -0.0197 -0.6241 67.719 82.072 151.765 D 141 GLY A 85 GLY~? D 144 GLU A 89 GLU~? D 164 GLU A 86 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.09 A TRANSFORM 0.8670 -0.4165 0.2734 -0.4116 -0.2896 0.8642 0.2808 0.8618 0.4225 80.587 86.450 146.381 E 141 GLY A 85 GLY~? E 144 GLU A 89 GLU~? E 164 GLU A 86 GLU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.11 A TRANSFORM -0.5043 -0.2648 -0.8220 0.7124 0.4104 -0.5693 -0.4880 0.8726 0.0183 128.588 102.593 168.415 B 141 GLY B 85 GLY~? B 144 GLU B 89 GLU~? B 164 GLU B 86 GLU~? ULMNm 3 1c82_c02 HYALURONATE LYASE user 1 3 RMSD = 1.12 A TRANSFORM -0.3301 -0.7456 -0.5789 0.4557 0.4112 -0.7895 -0.8267 0.5244 -0.2040 23.523 -30.209 51.340 A 399 HIS A 13 HIS^? A 408 TYR A 58 TYR^? A 480 ARG A 5 ARG^? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.17 A TRANSFORM 0.4347 0.3960 0.8088 -0.7156 -0.3933 0.5772 -0.5467 0.8298 -0.1125 20.050 82.416 176.682 F 141 GLY B 85 GLY~? F 144 GLU B 89 GLU~? F 164 GLU B 86 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.17 A TRANSFORM -0.5094 0.6226 0.5940 0.6945 0.7051 -0.1435 0.5082 -0.3394 0.7915 58.652 82.031 97.568 C 141 GLY B 85 GLY~? C 144 GLU B 89 GLU~? C 164 GLU B 86 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.17 A TRANSFORM -0.2558 0.7224 -0.6425 -0.9636 -0.2443 0.1091 0.0781 -0.6469 -0.7585 114.889 113.592 188.016 E 141 GLY B 85 GLY~? E 144 GLU B 89 GLU~? E 164 GLU B 86 GLU~? ULMNm 3 1v0e_c02 ENDO-ALPHA-SIALIDASE user 1 3 RMSD = 1.18 A TRANSFORM -0.2562 -0.9664 0.0200 -0.7464 0.2110 0.6312 0.6142 -0.1468 0.7753 22.522 52.570 7.401 C 581 GLU A 38 GLU^? C 596 ARG A 56 ARG^? C 647 ARG A 15 ARG.? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 7 3 RMSD = 1.18 A TRANSFORM 0.5841 -0.6900 -0.4276 -0.7171 -0.6854 0.1263 0.3802 -0.2328 0.8951 76.920 104.425 96.398 D 141 GLY B 85 GLY~? D 144 GLU B 89 GLU~? D 164 GLU B 86 GLU~? ULMNm 3 1v0e_c01 ENDO-ALPHA-SIALIDASE user 1 3 RMSD = 1.20 A TRANSFORM 0.2569 0.4341 0.8635 -0.7429 0.6601 -0.1108 0.6181 0.6130 -0.4921 27.537 78.547 49.884 B 581 GLU A 38 GLU^? B 596 ARG A 56 ARG^? B 647 ARG A 15 ARG.? ULMNm 3 1v0e_c03 ENDO-ALPHA-SIALIDASE user 1 3 RMSD = 1.20 A TRANSFORM -0.0127 -0.5154 0.8569 0.8572 0.4356 0.2747 0.5148 -0.7380 -0.4363 -43.619 -46.355 8.587 D 581 GLU A 38 GLU^? D 596 ARG A 56 ARG^? D 647 ARG A 15 ARG.? ULMNm 3 1v0e_c00 ENDO-ALPHA-SIALIDASE user 1 3 RMSD = 1.21 A TRANSFORM -0.0044 0.5273 -0.8497 -0.9699 -0.2090 -0.1247 0.2433 -0.8236 -0.5124 68.603 62.983 24.728 A 581 GLU A 38 GLU^? A 596 ARG A 56 ARG^? A 647 ARG A 15 ARG.? ULMNm 3 1v0e_c05 ENDO-ALPHA-SIALIDASE user 1 3 RMSD = 1.22 A TRANSFORM -0.2550 -0.4386 -0.8618 0.5277 -0.8099 0.2561 0.8103 0.3895 -0.4379 -3.096 -68.136 28.307 F 581 GLU A 38 GLU^? F 596 ARG A 56 ARG^? F 647 ARG A 15 ARG.? ULMNm 3 1v0e_c04 ENDO-ALPHA-SIALIDASE user 1 3 RMSD = 1.23 A TRANSFORM 0.2334 0.9724 0.0063 0.5270 -0.1211 -0.8412 0.8172 -0.1996 0.5406 2.538 -30.475 -4.873 E 581 GLU A 38 GLU^? E 596 ARG A 56 ARG^? E 647 ARG A 15 ARG.? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 5 3 RMSD = 1.25 A TRANSFORM 0.3909 0.9204 0.0060 -0.8619 0.3683 -0.3486 0.3230 -0.1311 -0.9373 73.181 155.334 163.689 B 141 GLY B 85 GLY~? B 144 GLU B 86 GLU~? B 164 GLU B 89 GLU~? ULMNm 3 1c82_c02 HYALURONATE LYASE user 2 3 RMSD = 1.25 A TRANSFORM -0.4711 -0.6882 -0.5518 0.6158 0.1913 -0.7643 -0.6316 0.6998 -0.3337 26.560 -32.947 45.693 A 399 HIS A 13 HIS^? A 408 TYR A 58 TYR^? A 480 ARG B 5 ARG^? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.26 A TRANSFORM 0.5625 -0.5717 -0.5973 0.2795 -0.5484 0.7881 0.7781 0.6103 0.1487 94.474 114.382 125.455 B 141 GLY A 85 GLY~? B 144 GLU A 86 GLU~? B 164 GLU A 89 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 5 3 RMSD = 1.27 A TRANSFORM -0.3466 -0.9254 -0.1534 0.8613 -0.3787 0.3387 0.3716 0.0147 -0.9283 74.800 30.047 164.237 F 141 GLY B 85 GLY~? F 144 GLU B 86 GLU~? F 164 GLU B 89 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 5 3 RMSD = 1.28 A TRANSFORM 0.4928 -0.6324 -0.5977 -0.8164 -0.0983 -0.5690 -0.3011 -0.7684 0.5648 53.105 149.648 133.755 C 141 GLY B 85 GLY~? C 144 GLU B 86 GLU~? C 164 GLU B 89 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 5 3 RMSD = 1.28 A TRANSFORM 0.0144 0.5088 -0.8608 0.9953 0.0750 0.0610 -0.0955 0.8576 0.5053 110.645 41.922 160.789 E 141 GLY B 85 GLY~? E 144 GLU B 86 GLU~? E 164 GLU B 89 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.28 A TRANSFORM -0.5305 0.4713 0.7045 0.8305 0.1226 0.5434 -0.1698 -0.8734 0.4565 88.246 35.670 128.574 D 141 GLY B 85 GLY~? D 144 GLU B 86 GLU~? D 164 GLU B 89 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.29 A TRANSFORM -0.4314 0.6540 0.6214 -0.2767 0.5597 -0.7812 0.8587 0.5090 0.0605 47.375 70.403 129.390 F 141 GLY A 85 GLY~? F 144 GLU A 86 GLU~? F 164 GLU A 89 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.29 A TRANSFORM -0.4611 -0.8867 0.0346 -0.1938 0.0626 -0.9790 -0.8659 0.4582 0.2007 111.544 90.128 137.770 D 141 GLY A 85 GLY~? D 144 GLU A 86 GLU~? D 164 GLU A 89 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.29 A TRANSFORM 0.2809 0.9597 -0.0018 0.2300 -0.0655 0.9710 -0.9318 0.2732 0.2392 32.444 94.573 145.300 C 141 GLY A 85 GLY~? C 144 GLU A 86 GLU~? C 164 GLU A 89 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.30 A TRANSFORM 0.9760 -0.0762 0.2042 0.2179 0.3569 -0.9084 0.0037 -0.9310 -0.3649 72.750 76.899 191.408 E 141 GLY A 85 GLY~? E 144 GLU A 86 GLU~? E 164 GLU A 89 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 5 3 RMSD = 1.36 A TRANSFORM -0.5014 -0.4304 -0.7506 -0.5431 -0.5187 0.6603 0.6735 -0.7388 -0.0263 123.717 83.978 108.828 D 141 GLY B 85 GLY~? D 144 GLU B 86 GLU~? D 164 GLU B 82 GLU~? ULMNm 3 1c82_c02 HYALURONATE LYASE user 4 3 RMSD = 1.36 A TRANSFORM 0.0490 0.6042 0.7953 0.9491 0.2199 -0.2255 0.3112 -0.7658 0.5627 -22.789 -51.305 19.477 A 399 HIS B 13 HIS^? A 408 TYR B 58 TYR^? A 480 ARG B 5 ARG^? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.38 A TRANSFORM 0.6126 0.2747 0.7411 0.5339 0.5475 -0.6443 0.5828 -0.7904 -0.1887 14.922 101.170 119.299 C 141 GLY B 85 GLY~? C 144 GLU B 86 GLU~? C 164 GLU B 82 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.39 A TRANSFORM 0.9814 -0.1822 -0.0601 -0.0444 -0.5202 0.8529 0.1867 0.8344 0.5186 22.585 50.781 134.994 F 141 GLY B 85 GLY~? F 144 GLU B 86 GLU~? F 164 GLU B 82 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.40 A TRANSFORM 0.3443 0.4296 0.8348 -0.8974 -0.1107 0.4270 -0.2759 0.8962 -0.3475 65.125 94.650 122.924 D 141 GLY A 85 GLY~? D 144 GLU A 86 GLU~? D 164 GLU A 82 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.41 A TRANSFORM -0.4019 -0.2514 -0.8805 0.8987 0.0758 -0.4319 -0.1753 0.9649 -0.1955 75.225 91.268 121.640 C 141 GLY A 85 GLY~? C 144 GLU A 86 GLU~? C 164 GLU A 82 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.41 A TRANSFORM -0.1658 0.9854 0.0372 -0.3974 -0.1014 0.9120 -0.9025 -0.1365 -0.4084 95.159 72.592 214.051 E 141 GLY B 85 GLY~? E 144 GLU B 86 GLU~? E 164 GLU B 82 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.42 A TRANSFORM 0.0839 0.6100 -0.7880 -0.9963 0.0347 -0.0792 0.0210 -0.7917 -0.6106 50.258 87.672 175.168 F 141 GLY A 85 GLY~? F 144 GLU A 86 GLU~? F 164 GLU A 82 GLU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.44 A TRANSFORM -0.9421 0.3135 0.1194 0.0685 0.5281 -0.8464 0.3284 0.7892 0.5190 120.419 133.275 127.059 B 141 GLY B 85 GLY~? B 144 GLU B 86 GLU~? B 164 GLU B 82 GLU~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 8 3 RMSD = 1.44 A TRANSFORM 0.0634 -0.9964 -0.0568 0.9892 0.0552 0.1359 0.1322 0.0648 -0.9891 15.644 -24.891 32.587 A 271 PRO B 105 PRO.? A 272 LEU B 103 LEU~? A 276 ARG A 104 ARG.? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.45 A TRANSFORM 0.4600 -0.8682 -0.1862 -0.8744 -0.4794 0.0751 0.1545 -0.1283 0.9796 100.717 104.724 162.345 E 141 GLY A 85 GLY~? E 144 GLU A 86 GLU~? E 164 GLU A 82 GLU~? ULMNm 3 1bqc_c01 BETA-MANNANASE user 3 3 RMSD = 1.47 A TRANSFORM -0.6238 -0.7588 -0.1874 0.2234 0.0567 -0.9731 -0.7490 0.6489 -0.1342 83.852 37.592 35.209 A 50 ARG B 56 ARG^? A 128 GLU A 71 GLU~? A 225 GLU B 38 GLU^? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.48 A TRANSFORM -0.0650 -0.7218 0.6890 0.9977 -0.0353 0.0572 0.0170 -0.6912 -0.7225 98.376 97.608 171.470 B 141 GLY A 85 GLY~? B 144 GLU A 86 GLU~? B 164 GLU A 82 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.49 A TRANSFORM 0.7131 0.0380 -0.7000 0.6932 -0.1870 0.6960 0.1044 0.9816 0.1597 -7.507 -28.998 116.767 C 70 ALA A 30 ALA.? C 126 LEU A 76 LEU~? C 158 GLU A 79 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 1.49 A TRANSFORM 0.4316 0.5257 -0.7331 -0.7452 -0.2503 -0.6181 0.5084 -0.8130 -0.2837 -2.903 30.087 130.108 C 70 ALA B 32 ALA^? C 126 LEU B 76 LEU~? C 158 GLU B 79 GLU~? ULMNm 3 1j7g_c00 D-TYROSYL-TRNA(TYR) DEACYLASE user 1 3 RMSD = 1.50 A TRANSFORM 0.1633 -0.9767 0.1395 0.0653 -0.1304 -0.9893 -0.9844 -0.1707 -0.0425 29.800 17.119 28.900 A 78 GLN A 8 GLN^? A 79 PHE A 7 PHE^? A 80 THR A 61 THR^? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 1.50 A TRANSFORM -0.8530 -0.4925 -0.1725 0.0387 -0.3893 0.9203 0.5205 -0.7783 -0.3512 1.284 -8.171 131.558 B 70 ALA B 32 ALA^? B 126 LEU B 76 LEU~? B 158 GLU B 79 GLU~?