*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 0.81 A TRANSFORM 0.5195 -0.8270 -0.2150 -0.8492 -0.4718 -0.2373 -0.0948 -0.3058 0.9474 14.975 44.766 8.448 141 ASP A 105 ASP.? 166 GLY A 77 GLY~? 169 GLU A 119 GLU~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 0.88 A TRANSFORM -0.8753 0.4200 0.2398 -0.1639 -0.7241 0.6699 -0.4550 -0.5471 -0.7026 62.524 -89.939 -87.269 A 420 ALA A 174 ALA~? B 182 GLY A 194 GLY^? B 183 GLY A 167 GLY.? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 4 3 RMSD = 0.89 A TRANSFORM -0.4909 -0.2743 0.8269 0.4366 -0.8988 -0.0389 -0.7539 -0.3419 -0.5610 68.165 -12.058 8.719 B 37 ASP A 203 ASP^? B 56 ILE A 64 ILE^? B 82 TYR A 131 TYR^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 6 3 RMSD = 0.89 A TRANSFORM 0.8279 0.3036 0.4716 0.5607 -0.4647 -0.6853 -0.0110 -0.8318 0.5549 10.167 39.483 37.768 A 229 ALA A 116 ALA~? A 257 ALA A 115 ALA~? A 328 ASP A 110 ASP~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 4 3 RMSD = 0.90 A TRANSFORM -0.4880 -0.2793 0.8270 0.4174 -0.9068 -0.0599 -0.7666 -0.3159 -0.5591 65.313 5.474 36.130 A 37 ASP A 203 ASP^? A 56 ILE A 64 ILE^? A 82 TYR A 131 TYR^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 0.95 A TRANSFORM 0.8829 -0.2111 -0.4195 -0.4564 -0.5958 -0.6608 0.1105 -0.7749 0.6224 15.459 -61.915 -123.765 A 420 ALA A 163 ALA.? B 182 GLY A 167 GLY.? B 183 GLY A 194 GLY^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 0.95 A TRANSFORM 0.6661 -0.7301 -0.1524 -0.7303 -0.5969 -0.3322 -0.1516 -0.3326 0.9308 8.298 49.112 10.602 141 ASP A 133 ASP.? 166 GLY A 77 GLY~? 169 GLU A 119 GLU~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 4 3 RMSD = 1.00 A TRANSFORM 0.8898 -0.4336 -0.1423 0.3539 0.4587 0.8151 0.2882 0.7756 -0.5616 15.779 -137.532 -147.229 A 420 ALA A 197 ALA.? B 182 GLY A 167 GLY.? B 183 GLY A 194 GLY^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 12 3 RMSD = 1.10 A TRANSFORM -0.4597 0.5674 0.6832 -0.8657 -0.1146 -0.4873 0.1982 0.8154 -0.5439 34.960 64.007 -17.640 A 229 ALA A 163 ALA.? A 257 ALA A 162 ALA.? A 328 ASP A 105 ASP.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.12 A TRANSFORM 0.3680 -0.0730 0.9270 0.8755 -0.3085 -0.3719 -0.3131 -0.9484 0.0496 33.080 27.875 47.878 A 229 ALA A 75 ALA~? A 257 ALA A 116 ALA~? A 328 ASP A 110 ASP~? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 1 3 RMSD = 1.13 A TRANSFORM -0.2236 0.0413 -0.9738 -0.9747 -0.0073 0.2235 -0.0021 -0.9991 -0.0419 37.251 56.925 35.544 A 10 ASP A 9 ASP^? A 186 ASN A 205 ASN^? A 260 ALA A 162 ALA.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.15 A TRANSFORM 0.6835 -0.0232 -0.7295 -0.5349 -0.6960 -0.4790 0.4966 -0.7177 0.4882 24.029 -59.260 -138.487 A 420 ALA A 162 ALA.? B 182 GLY A 167 GLY.? B 183 GLY A 194 GLY^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 5 3 RMSD = 1.18 A TRANSFORM 0.9551 -0.0335 0.2944 0.1496 -0.8030 -0.5769 -0.2557 -0.5950 0.7619 19.836 59.692 34.105 A 229 ALA A 115 ALA~? A 257 ALA A 146 ALA~? A 328 ASP A 110 ASP~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 1 3 RMSD = 1.18 A TRANSFORM -0.1517 -0.9080 0.3905 0.8765 0.0590 0.4777 0.4568 -0.4148 -0.7870 30.548 16.715 50.169 B 1 SER A 37 SER.? B 69 ALA A 67 ALA.? B 241 ASN A 66 ASN.? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 3 3 RMSD = 1.19 A TRANSFORM 0.9824 -0.0484 -0.1804 0.1116 0.9265 0.3594 -0.1498 0.3733 -0.9156 32.630 -21.846 19.631 B 1 ALA A 75 ALA~? B 74 ASN A 76 ASN~? B 75 GLY A 73 GLY~? ULMNm 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 3 3 RMSD = 1.19 A TRANSFORM -0.3513 0.8772 0.3274 -0.9348 -0.3484 -0.0695 -0.0532 0.3304 -0.9423 -43.828 63.822 109.448 D 1 ALA A 75 ALA~? D 74 ASN A 76 ASN~? D 75 GLY A 73 GLY~? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 3 3 RMSD = 1.20 A TRANSFORM -0.8116 0.5326 -0.2401 0.0906 -0.2913 -0.9523 0.5771 0.7947 -0.1881 5.352 29.599 2.953 C 1 ALA A 75 ALA~? C 74 ASN A 76 ASN~? C 75 GLY A 73 GLY~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 3 3 RMSD = 1.23 A TRANSFORM -0.9678 0.2278 0.1071 -0.2365 -0.9686 -0.0768 -0.0862 0.0997 -0.9913 17.741 45.422 31.657 A 271 PRO A 123 PRO~? A 272 LEU A 121 LEU~? A 276 ARG A 127 ARG^? ULMNm 3 1oya_c00 OLD YELLOW ENZYME (OXIDIZED) (OYE) (user 1 3 RMSD = 1.24 A TRANSFORM 0.3407 0.7721 0.5365 0.9239 -0.3807 -0.0387 -0.1744 -0.5089 0.8430 3.677 69.889 24.201 191 HIS A 87 HIS~? 194 ASN A 83 ASN~? 196 TYR A 65 TYR.? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.24 A TRANSFORM 0.8131 -0.4503 0.3688 0.3418 -0.1436 -0.9287 -0.4712 -0.8813 -0.0371 73.308 97.714 160.304 D 141 GLY A 45 GLY.? D 144 GLU A 38 GLU.? D 164 GLU A 44 GLU.? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.26 A TRANSFORM -0.8367 -0.4689 0.2831 -0.1884 -0.2389 -0.9526 -0.5143 0.8503 -0.1116 75.517 99.574 148.842 F 141 GLY A 45 GLY.? F 144 GLU A 38 GLU.? F 164 GLU A 44 GLU.? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 3 3 RMSD = 1.26 A TRANSFORM -0.6975 0.4876 0.5251 -0.5846 0.0364 -0.8105 0.4143 0.8723 -0.2596 37.593 101.494 2.941 A 228 ASP A 196 ASP.? A 260 ASP A 105 ASP.? A 329 ASP A 9 ASP^? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.26 A TRANSFORM -0.8857 0.2700 -0.3778 -0.3392 0.1795 0.9234 -0.3172 -0.9460 0.0674 74.383 86.831 159.699 C 141 GLY A 45 GLY.? C 144 GLU A 38 GLU.? C 164 GLU A 44 GLU.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 5 3 RMSD = 1.29 A TRANSFORM -0.7824 0.5975 0.1756 -0.5338 -0.4981 -0.6834 0.3208 0.6284 -0.7086 55.832 -60.571 -143.307 A 420 ALA A 197 ALA.? B 182 GLY A 194 GLY^? B 183 GLY A 167 GLY.? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.30 A TRANSFORM -0.0398 0.9634 0.2652 0.0352 0.2666 -0.9632 0.9986 0.0290 0.0445 65.014 95.713 151.350 E 141 GLY A 45 GLY.? E 144 GLU A 38 GLU.? E 164 GLU A 44 GLU.? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.31 A TRANSFORM 0.7542 0.5947 -0.2786 0.1658 0.2381 0.9570 -0.6354 0.7679 -0.0810 69.187 85.846 149.310 B 141 GLY A 45 GLY.? B 144 GLU A 38 GLU.? B 164 GLU A 44 GLU.? ULMNm 3 3hde_o02 LYSOZYME user 1 3 RMSD = 1.35 A TRANSFORM -0.0771 0.9282 0.3640 -0.6400 -0.3260 0.6958 -0.7645 0.1793 -0.6192 -5.128 2.584 26.750 C 35 GLU A 44 GLU.? C 44 ASP A 49 ASP~? C 50 THR A 47 THR~? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 8 3 RMSD = 1.35 A TRANSFORM -0.2778 -0.5204 -0.8075 0.9572 -0.2215 -0.1865 0.0818 0.8247 -0.5596 60.705 16.674 -23.558 I 303 TYR A 143 TYR~? I 306 VAL A 153 VAL~? I 308 VAL A 155 VAL~? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 4 3 RMSD = 1.35 A TRANSFORM -0.7426 0.4582 0.4885 -0.3916 0.2947 -0.8717 0.5433 0.8386 0.0394 40.024 91.291 -5.554 A 228 ASP A 196 ASP.? A 260 ASP A 133 ASP.? A 329 ASP A 9 ASP^? ULMNm 3 1dj1_c00 CYTOCHROME C PEROXIDASE user 2 3 RMSD = 1.38 A TRANSFORM -0.2794 -0.1753 0.9441 -0.0876 0.9838 0.1567 0.9562 0.0389 0.2902 -11.517 -14.324 -21.389 A 48 ALA A 88 ALA~? A 52 HIS A 87 HIS~? A 191 TRP A 117 TRP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 15 3 RMSD = 1.40 A TRANSFORM 0.6047 -0.3322 0.7239 -0.4734 -0.8808 -0.0087 -0.6405 0.3374 0.6899 23.236 74.387 14.350 A 229 ALA A 181 ALA.? A 257 ALA A 180 ALA.? A 328 ASP A 133 ASP.? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 2 3 RMSD = 1.40 A TRANSFORM 0.6682 -0.7111 -0.2186 0.5867 0.6844 -0.4328 -0.4574 -0.1610 -0.8746 29.689 45.147 61.158 A 228 ASP A 9 ASP^? A 260 ASP A 133 ASP.? A 329 ASP A 196 ASP.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.40 A TRANSFORM 0.2460 -0.8033 -0.5424 0.9668 0.2433 0.0782 -0.0691 0.5436 -0.8365 78.358 -40.823 18.225 A 67 ASP A 208 ASP.? A 68 ALA A 207 ALA^? A 72 LEU A 206 LEU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.42 A TRANSFORM 0.3523 0.1916 -0.9161 0.7991 0.4480 0.4010 -0.4872 0.8733 -0.0047 -3.146 -30.357 -5.448 141 ASP A 105 ASP.? 166 GLY A 33 GLY^? 169 GLU A 50 GLU~? ULMNm 3 12as_c01 ASPARAGINE SYNTHETASE user 2 3 RMSD = 1.44 A TRANSFORM 0.2800 -0.8916 0.3559 -0.7673 -0.4307 -0.4752 -0.5769 0.1400 0.8047 45.012 85.578 22.942 B 46 ASP A 105 ASP.? B 100 ARG A 165 ARG.? B 116 GLN A 192 GLN^? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.45 A TRANSFORM -0.6442 0.3697 0.6696 -0.0392 0.8583 -0.5116 0.7638 0.3558 0.5385 77.972 109.427 118.773 B 141 GLY A 45 GLY.? B 144 GLU A 44 GLU.? B 164 GLU A 38 GLU.? ULMNm 3 12as_c01 ASPARAGINE SYNTHETASE user 3 3 RMSD = 1.45 A TRANSFORM -0.1547 -0.9856 0.0677 -0.7501 0.0725 -0.6574 -0.6430 0.1525 0.7505 65.494 75.778 25.335 B 46 ASP A 133 ASP.? B 100 ARG A 165 ARG.? B 116 GLN A 192 GLN^? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 1 3 RMSD = 1.46 A TRANSFORM 0.7123 -0.6742 -0.1949 0.3980 0.6168 -0.6791 -0.5781 -0.4062 -0.7077 26.982 56.610 66.945 A 228 ASP A 9 ASP^? A 260 ASP A 105 ASP.? A 329 ASP A 196 ASP.? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 3 3 RMSD = 1.46 A TRANSFORM 0.4309 0.8817 -0.1922 0.8950 -0.3903 0.2159 -0.1153 0.2650 0.9573 31.515 -41.195 -49.984 B 37 ASP A 203 ASP^? B 56 ILE A 64 ILE^? B 82 TYR A 35 TYR^? ULMNm 3 3hde_o01 LYSOZYME user 1 3 RMSD = 1.46 A TRANSFORM -0.1300 -0.2611 0.9565 -0.8161 -0.5197 -0.2528 -0.5631 0.8135 0.1456 -24.492 19.729 -34.542 B 35 GLU A 44 GLU.? B 44 ASP A 49 ASP~? B 50 THR A 47 THR~? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 3 RMSD = 1.47 A TRANSFORM 0.8268 -0.4503 0.3371 -0.5289 -0.8265 0.1930 -0.1917 0.3378 0.9215 7.869 133.982 -4.786 193 ASP A 9 ASP^? 231 ASP A 138 ASP~? 294 ASP A 196 ASP.? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 3 3 RMSD = 1.49 A TRANSFORM 0.4370 0.8795 -0.1885 0.8879 -0.3882 0.2470 -0.1440 0.2753 0.9505 28.448 -25.142 -21.611 A 37 ASP A 203 ASP^? A 56 ILE A 64 ILE^? A 82 TYR A 35 TYR^? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 2 3 RMSD = 1.49 A TRANSFORM -0.8681 -0.4920 -0.0665 -0.3671 0.5459 0.7531 0.3342 -0.6782 0.6545 83.343 74.022 34.623 229 ASP A 196 ASP.? 264 GLU A 38 GLU.? 328 ASP A 9 ASP^? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 3 3 RMSD = 1.50 A TRANSFORM 0.8474 -0.0424 0.5292 -0.1321 0.9486 0.2875 0.5142 0.3136 -0.7983 10.188 66.390 33.516 229 ASP A 196 ASP.? 264 GLU A 171 GLU~? 328 ASP A 9 ASP^?