*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1pix_c02 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 4 4 RMSD = 1.42 A TRANSFORM 0.5135 0.1781 -0.8394 -0.8357 -0.1183 -0.5363 0.1948 -0.9769 -0.0881 37.982 146.858 27.089 A 457 ALA B 64 ALA~? A 458 ALA B 61 ALA~? B 193 ALA B 68 ALA~? B 194 GLY B 69 GLY.? ULMNm 4 1pix_c03 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 8 4 RMSD = 1.44 A TRANSFORM 0.2038 0.0351 0.9784 0.1609 -0.9870 0.0019 -0.9657 -0.1571 0.2068 53.476 97.117 37.011 A 193 ALA B 70 ALA.? A 194 GLY B 69 GLY.? B 457 ALA B 64 ALA~? B 458 ALA B 61 ALA~? ULMNm 4 1pix_c02 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 2 4 RMSD = 1.46 A TRANSFORM 0.5248 -0.1646 0.8352 -0.8358 0.0866 0.5422 0.1615 0.9826 0.0921 9.145 119.333 -19.988 A 457 ALA A 64 ALA~? A 458 ALA A 61 ALA~? B 193 ALA A 68 ALA~? B 194 GLY A 69 GLY.? ULMNm 4 1pix_c03 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 4 4 RMSD = 1.46 A TRANSFORM 0.1917 -0.0416 -0.9806 0.1688 0.9856 -0.0089 -0.9668 0.1638 -0.1959 97.806 53.299 38.325 A 193 ALA A 70 ALA.? A 194 GLY A 69 GLY.? B 457 ALA A 64 ALA~? B 458 ALA A 61 ALA~? ULMNm 4 1pix_c03 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 6 4 RMSD = 1.48 A TRANSFORM -0.6260 0.2586 0.7357 0.7306 0.5243 0.4374 0.2727 -0.8113 0.5171 69.526 67.358 16.117 A 193 ALA B 68 ALA~? A 194 GLY B 69 GLY.? B 457 ALA B 64 ALA~? B 458 ALA B 61 ALA~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 0.73 A TRANSFORM -0.1529 0.0984 0.9833 -0.9826 -0.1216 -0.1407 -0.1057 0.9877 -0.1153 -34.863 31.429 -14.712 141 ASP A 19 ASP~? 166 GLY A 41 GLY.? 169 GLU B 44 GLU.? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 0.95 A TRANSFORM -0.1107 0.9834 0.1435 0.2499 -0.1122 0.9617 -0.9619 -0.1424 0.2334 63.877 62.493 142.435 D 141 GLY B 41 GLY.? D 144 GLU B 39 GLU^? D 164 GLU A 39 GLU^? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 0.96 A TRANSFORM 0.9201 0.3041 0.2469 0.0541 0.5256 -0.8490 0.3880 -0.7945 -0.4672 67.428 118.254 173.522 B 141 GLY B 41 GLY.? B 144 GLU B 39 GLU^? B 164 GLU A 39 GLU^? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 0.96 A TRANSFORM -0.8475 -0.4160 -0.3297 -0.0656 -0.5344 0.8427 0.5267 -0.7358 -0.4256 81.642 67.265 172.660 F 141 GLY B 41 GLY.? F 144 GLU B 39 GLU^? F 164 GLU A 39 GLU^? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 0.96 A TRANSFORM -0.1436 -0.9793 -0.1424 0.2853 0.0968 -0.9535 -0.9476 0.1775 -0.2655 114.049 98.670 145.923 D 141 GLY A 41 GLY.? D 144 GLU A 39 GLU^? D 164 GLU B 39 GLU^? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 0.97 A TRANSFORM 0.9154 -0.3397 -0.2158 0.0072 -0.5223 0.8527 0.4024 0.7822 0.4757 91.737 105.455 117.994 B 141 GLY A 41 GLY.? B 144 GLU A 39 GLU^? B 164 GLU B 39 GLU^? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 0.97 A TRANSFORM -0.8412 0.4499 0.2999 -0.0177 0.5314 -0.8469 0.5404 0.7178 0.4391 48.785 79.399 121.559 F 141 GLY A 41 GLY.? F 144 GLU A 39 GLU^? F 164 GLU B 39 GLU^? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 0.98 A TRANSFORM -0.0746 -0.9932 -0.0891 -0.2168 0.1034 -0.9707 -0.9734 0.0531 0.2231 79.892 122.708 141.609 C 141 GLY B 41 GLY.? C 144 GLU B 39 GLU^? C 164 GLU A 39 GLU^? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 0.99 A TRANSFORM -0.0394 0.9959 0.0819 -0.2522 -0.0893 0.9635 -0.9669 -0.0173 -0.2547 31.584 85.757 153.409 C 141 GLY A 41 GLY.? C 144 GLU A 39 GLU^? C 164 GLU B 39 GLU^? ULMNm 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.00 A TRANSFORM 0.7234 -0.5056 0.4702 -0.6226 -0.1831 0.7608 0.2986 0.8431 0.4472 70.264 20.985 -1.846 B 48 ARG A 82 ARG.? D 101 TYR B 21 TYR~? D 173 ASP B 19 ASP~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.00 A TRANSFORM 0.7497 -0.2007 -0.6307 0.4715 -0.5067 0.7217 0.4644 0.8384 0.2852 97.557 73.216 142.145 E 141 GLY B 41 GLY.? E 144 GLU B 39 GLU^? E 164 GLU A 39 GLU^? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.02 A TRANSFORM 0.7359 0.1759 0.6539 0.5137 0.4840 -0.7084 0.4411 -0.8572 -0.2658 61.669 81.483 191.965 E 141 GLY A 41 GLY.? E 144 GLU A 39 GLU^? E 164 GLU B 39 GLU^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 14 3 RMSD = 1.29 A TRANSFORM 0.1280 -0.3955 -0.9095 -0.8501 0.4285 -0.3060 -0.5108 -0.8124 0.2814 46.881 38.723 23.184 A 229 ALA B 64 ALA~? A 257 ALA B 68 ALA~? A 328 ASP B 25 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 13 3 RMSD = 1.30 A TRANSFORM 0.4002 -0.2274 -0.8878 -0.8630 -0.4195 -0.2816 0.3083 -0.8788 0.3641 6.012 28.127 -1.631 141 ASP B 67 ASP~? 166 GLY B 35 GLY~? 169 GLU B 48 GLU^? ULMNm 3 1a50_c03 TRYPTOPHAN SYNTHASE user 2 3 RMSD = 1.30 A TRANSFORM -0.9969 0.0689 0.0369 -0.0493 -0.9204 0.3878 -0.0606 -0.3848 -0.9210 51.289 43.085 50.501 A 49 GLU A 39 GLU^? A 60 ASP B 98 ASP~? A 175 TYR A 38 TYR^? ULMNm 3 1bhg_c04 BETA-GLUCURONIDASE user 2 3 RMSD = 1.33 A TRANSFORM 0.4248 0.6877 -0.5887 -0.8950 0.2216 -0.3870 0.1357 -0.6913 -0.7097 76.148 90.751 115.205 A 382 ARG B 97 ARG~? A 451 GLU A 99 GLU.? A 540 GLU B 39 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.34 A TRANSFORM 0.3923 0.2302 0.8906 -0.8650 0.4218 0.2719 0.3130 0.8770 -0.3646 -42.437 -2.480 -25.110 141 ASP A 67 ASP~? 166 GLY A 35 GLY.? 169 GLU A 48 GLU^? ULMNm 3 1cns_c00 CHITINASE user 4 3 RMSD = 1.36 A TRANSFORM -0.4633 0.5004 -0.7314 -0.8725 -0.1129 0.4754 -0.1553 -0.8584 -0.4889 -4.338 6.898 93.567 A 67 GLU B 48 GLU^? A 89 GLU B 50 GLU.? A 120 SER B 2 SER.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 6 3 RMSD = 1.37 A TRANSFORM 0.1146 0.4424 0.8895 -0.8120 -0.4741 0.3404 -0.5723 0.7612 -0.3049 -10.666 44.149 3.036 A 229 ALA A 64 ALA~? A 257 ALA A 68 ALA~? A 328 ASP A 25 ASP~? ULMNm 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 5 3 RMSD = 1.39 A TRANSFORM -0.1828 -0.8564 0.4829 -0.2298 0.5148 0.8259 0.9559 -0.0400 0.2909 -7.704 66.796 86.757 D 137 ARG B 37 ARG^? D 141 THR B 6 THR^? D 235 ASP A 98 ASP.? ULMNm 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.40 A TRANSFORM -0.2017 0.8451 -0.4952 -0.2108 -0.5311 -0.8206 0.9565 0.0611 -0.2852 -24.411 125.437 96.689 D 137 ARG A 37 ARG^? D 141 THR A 6 THR^? D 235 ASP B 98 ASP~? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 5 3 RMSD = 1.42 A TRANSFORM -0.1546 -0.8301 0.5358 0.3661 -0.5519 -0.7493 -0.9177 -0.0804 -0.3892 -7.217 91.391 53.893 C 137 ARG B 37 ARG^? C 141 THR B 6 THR^? C 235 ASP A 98 ASP.? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 5 3 RMSD = 1.43 A TRANSFORM 0.1683 0.8296 -0.5323 -0.3766 0.5532 0.7431 -0.9110 -0.0754 -0.4055 7.097 69.967 54.045 A 137 ARG B 37 ARG^? A 141 THR B 6 THR^? A 235 ASP A 98 ASP.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 4 3 RMSD = 1.44 A TRANSFORM 0.8150 -0.5781 0.0394 0.3647 0.4589 -0.8102 -0.4503 -0.6746 -0.5849 44.818 74.479 62.923 229 ASP B 25 ASP~? 264 GLU B 71 GLU.? 328 ASP B 19 ASP~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 1 3 RMSD = 1.44 A TRANSFORM 0.5939 -0.1537 -0.7897 -0.7381 0.2866 -0.6108 -0.3203 -0.9456 -0.0568 68.115 92.077 76.907 A 83 GLU A 39 GLU^? A 163 ARG B 97 ARG~? A 222 ARG A 97 ARG~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 2 3 RMSD = 1.45 A TRANSFORM 0.5982 0.1315 0.7905 -0.7479 -0.2626 0.6097 -0.2877 0.9559 0.0587 27.776 78.160 31.799 A 83 GLU B 39 GLU^? A 163 ARG A 97 ARG~? A 222 ARG B 97 ARG~? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.46 A TRANSFORM -0.1642 0.8280 -0.5362 0.3552 0.5568 0.7509 -0.9203 0.0672 0.3855 -21.055 34.540 34.117 C 137 ARG A 37 ARG^? C 141 THR A 6 THR^? C 235 ASP B 98 ASP~? ULMNm 3 1mt5_c15 FATTY-ACID AMIDE HYDROLASE user 2 3 RMSD = 1.47 A TRANSFORM 0.9541 0.1811 -0.2387 0.2806 -0.8195 0.4997 0.1051 0.5437 0.8327 16.074 63.023 36.483 P 142 LYS A 78 LYS^? P 217 SER B 10 SER^? P 241 SER B 76 SER^? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 4 3 RMSD = 1.47 A TRANSFORM -0.9456 0.2139 0.2450 -0.1917 -0.9751 0.1116 -0.2628 -0.0585 -0.9631 24.682 54.550 49.532 I 303 TYR A 21 TYR~? I 306 VAL A 24 VAL~? I 308 VAL A 12 VAL^? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 1 3 RMSD = 1.48 A TRANSFORM 0.7850 0.6037 -0.1393 0.4078 -0.3341 0.8498 -0.4664 0.7238 0.5084 24.482 53.495 9.356 229 ASP A 25 ASP~? 264 GLU A 71 GLU.? 328 ASP A 19 ASP~? ULMNm 3 1mt5_c10 FATTY-ACID AMIDE HYDROLASE user 2 3 RMSD = 1.48 A TRANSFORM 0.8618 -0.2276 -0.4533 0.0450 0.9245 -0.3785 -0.5052 -0.3058 -0.8070 -22.872 31.726 27.702 K 142 LYS A 78 LYS^? K 217 SER B 10 SER^? K 241 SER B 76 SER^? ULMNm 3 1m21_c00 PEPTIDE AMIDASE user 1 3 RMSD = 1.48 A TRANSFORM 0.3616 -0.5768 0.7325 -0.6780 0.3766 0.6313 0.6400 0.7249 0.2548 -3.918 -1.683 30.293 A 123 LYS A 78 LYS^? A 202 SER B 10 SER^? A 226 SER B 76 SER^? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 4 3 RMSD = 1.48 A TRANSFORM -0.2681 0.8107 0.5205 -0.3756 0.4096 -0.8314 0.8872 0.4184 -0.1947 83.640 82.149 -6.038 B 137 GLY B 49 GLY^? B 175 ARG B 37 ARG^? B 242 TYR B 38 TYR^? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.48 A TRANSFORM 0.1843 -0.8202 0.5416 -0.3583 -0.5692 -0.7400 -0.9152 0.0577 0.3988 20.627 126.803 33.997 A 137 ARG A 37 ARG^? A 141 THR A 6 THR^? A 235 ASP B 98 ASP~? ULMNm 3 1mt5_c02 FATTY-ACID AMIDE HYDROLASE user 2 3 RMSD = 1.48 A TRANSFORM 0.8649 0.0143 -0.5018 0.1668 -0.9510 0.2604 0.4734 0.3089 0.8249 -21.644 20.664 29.104 C 142 LYS A 78 LYS^? C 217 SER B 10 SER^? C 241 SER B 76 SER^? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 13 3 RMSD = 1.48 A TRANSFORM -0.9464 -0.2043 -0.2502 -0.1862 0.9780 -0.0943 -0.2639 0.0427 0.9636 44.756 15.550 5.669 I 303 TYR B 21 TYR~? I 306 VAL B 24 VAL~? I 308 VAL B 12 VAL^? ULMNm 3 1mt5_c00 FATTY-ACID AMIDE HYDROLASE user 2 3 RMSD = 1.49 A TRANSFORM -0.5792 -0.8070 0.1153 0.2770 -0.3279 -0.9032 -0.7667 0.4912 -0.4135 45.273 -11.720 40.408 A 142 LYS A 78 LYS^? A 217 SER B 10 SER^? A 241 SER B 76 SER^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 14 3 RMSD = 1.50 A TRANSFORM 0.2390 0.1018 -0.9657 -0.9039 0.3866 -0.1829 -0.3547 -0.9166 -0.1844 7.282 23.747 14.862 141 ASP B 67 ASP~? 166 GLY B 35 GLY~? 169 GLU B 50 GLU.?