*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1lio_c01 ADENOSINE KINASE user 5 3 RMSD = 0.81 A TRANSFORM 0.0133 0.5700 0.8215 -0.2110 -0.8015 0.5596 -0.9774 0.1808 -0.1096 -15.974 28.458 55.514 A 316 ALA B 155 ALA^? A 317 GLY B 156 GLY^? A 318 ASP B 143 ASP^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 0.82 A TRANSFORM -0.6350 -0.6318 -0.4445 -0.6784 0.7313 -0.0703 -0.3695 -0.2569 0.8930 55.771 23.785 25.216 A 316 ALA A 155 ALA^? A 317 GLY A 156 GLY^? A 318 ASP A 143 ASP^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 5 3 RMSD = 0.83 A TRANSFORM 0.6989 -0.2556 -0.6680 0.7152 0.2532 0.6514 -0.0026 0.9330 -0.3598 163.083 -21.709 -16.155 A 316 ALA B 155 ALA^? A 317 GLY B 156 GLY^? A 318 ASP B 143 ASP^? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 0.84 A TRANSFORM 0.6114 -0.6874 0.3920 -0.5314 0.0103 0.8470 0.5863 0.7262 0.3590 9.970 -75.208 -161.105 A 183 GLY A 123 GLY~? B 419 GLY B 196 GLY.? B 420 ALA B 195 ALA.? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 0.84 A TRANSFORM -0.1922 0.7200 -0.6668 -0.9800 -0.1763 0.0921 0.0513 -0.6712 -0.7395 26.123 -41.710 -92.394 A 183 GLY B 123 GLY~? B 419 GLY A 196 GLY.? B 420 ALA A 195 ALA.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 0.84 A TRANSFORM 0.8920 0.3700 -0.2595 -0.1774 -0.2414 -0.9541 0.4157 -0.8971 0.1497 135.294 49.634 -1.153 A 316 ALA A 155 ALA^? A 317 GLY A 156 GLY^? A 318 ASP A 143 ASP^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 5 3 RMSD = 0.86 A TRANSFORM -0.6241 0.7054 -0.3360 0.5388 0.7000 0.4688 -0.5659 -0.1115 0.8169 18.937 -65.214 -64.701 B 250 ALA B 155 ALA^? B 251 GLY B 156 GLY^? B 252 ASP B 143 ASP^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 0.88 A TRANSFORM 0.0609 -0.7279 0.6830 -0.0564 -0.6857 -0.7257 -0.9966 -0.0057 0.0828 6.823 7.165 -38.213 B 250 ALA A 155 ALA^? B 251 GLY A 156 GLY^? B 252 ASP A 143 ASP^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 5 3 RMSD = 0.88 A TRANSFORM -0.4400 -0.4558 -0.7738 0.5140 -0.8343 0.1992 0.7364 0.3101 -0.6014 71.925 -9.136 -2.746 A 250 ALA B 155 ALA^? A 251 GLY B 156 GLY^? A 252 ASP B 143 ASP^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 4 3 RMSD = 0.89 A TRANSFORM -0.1676 0.9590 0.2284 -0.2301 0.1872 -0.9550 0.9586 0.2126 -0.1893 -2.685 70.881 19.923 A 316 ALA B 134 ALA~? A 317 GLY B 133 GLY~? A 318 ASP B 132 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 0.90 A TRANSFORM 0.3959 0.4768 0.7848 -0.0120 0.8573 -0.5147 0.9182 -0.1943 -0.3451 -5.958 -13.709 -3.223 A 250 ALA A 155 ALA^? A 251 GLY A 156 GLY^? A 252 ASP A 143 ASP^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 4 3 RMSD = 0.90 A TRANSFORM 0.8235 0.1294 0.5523 -0.5152 0.5780 0.6328 0.2374 0.8057 -0.5427 -35.367 -53.483 -48.165 B 250 ALA B 134 ALA~? B 251 GLY B 133 GLY~? B 252 ASP B 132 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 4 3 RMSD = 0.91 A TRANSFORM -0.4778 -0.8537 0.2072 -0.8248 0.5172 0.2284 0.3022 0.0618 0.9513 167.817 16.503 -59.483 A 316 ALA B 134 ALA~? A 317 GLY B 133 GLY~? A 318 ASP B 132 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 0.92 A TRANSFORM -0.1459 -0.9876 -0.0574 0.8142 -0.1529 0.5601 0.5620 -0.0350 -0.8264 43.988 15.312 48.853 A 316 ALA A 134 ALA~? A 317 GLY A 133 GLY~? A 318 ASP A 132 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 4 3 RMSD = 0.93 A TRANSFORM 0.5712 -0.7715 -0.2804 -0.6967 -0.2750 -0.6625 -0.4340 -0.5737 0.6946 43.912 40.920 -11.850 A 250 ALA B 134 ALA~? A 251 GLY B 133 GLY~? A 252 ASP B 132 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 0.95 A TRANSFORM -0.1821 -0.0299 -0.9828 -0.6973 -0.7008 0.1505 0.6933 -0.7127 -0.1068 28.978 -10.069 -39.363 B 250 ALA A 134 ALA~? B 251 GLY A 133 GLY~? B 252 ASP A 132 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 0.95 A TRANSFORM -0.4815 0.7442 0.4630 -0.4497 -0.6632 0.5983 -0.7523 -0.0798 -0.6540 129.668 23.771 8.298 A 316 ALA A 134 ALA~? A 317 GLY A 133 GLY~? A 318 ASP A 132 ASP~? ULMNm 3 2odj_o01 PORIN D user 3 3 RMSD = 0.96 A TRANSFORM -0.9450 0.2037 -0.2559 0.3008 0.2345 -0.9244 0.1283 0.9505 0.2829 -0.331 1.945 39.436 B 156 HIS A 186 HIS^? B 208 ASP A 172 ASP^? B 296 SER B 124 SER~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 0.98 A TRANSFORM 0.3690 0.8745 -0.3147 0.3124 0.2022 0.9282 -0.8754 0.4408 0.1986 15.019 -31.594 -8.856 A 250 ALA A 134 ALA~? A 251 GLY A 133 GLY~? A 252 ASP A 132 ASP~? ULMNm 3 2odj_o01 PORIN D user 6 3 RMSD = 1.01 A TRANSFORM -0.1834 -0.3068 0.9339 0.9812 -0.1153 0.1548 -0.0602 -0.9448 -0.3222 -37.432 -33.537 98.132 B 156 HIS B 186 HIS^? B 208 ASP B 172 ASP^? B 296 SER A 124 SER~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.02 A TRANSFORM -0.2318 -0.6378 -0.7345 0.0209 -0.7582 0.6517 0.9725 -0.1357 -0.1891 86.119 14.045 7.291 A 67 ASP A 197 ASP.? A 68 ALA A 193 ALA^? A 72 LEU A 182 LEU^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.02 A TRANSFORM 0.4560 0.6594 0.5977 -0.6628 0.6998 -0.2665 0.5940 0.2747 -0.7561 10.051 22.649 22.002 A 67 ASP B 197 ASP.? A 68 ALA B 193 ALA^? A 72 LEU B 182 LEU^? ULMNm 3 2odj_o00 PORIN D user 8 3 RMSD = 1.06 A TRANSFORM -0.5745 0.6118 0.5438 -0.6695 0.0310 -0.7422 0.4709 0.7904 -0.3918 -5.019 64.287 27.951 A 156 HIS B 186 HIS^? A 208 ASP B 172 ASP^? A 296 SER B 214 SER^? ULMNm 3 2odj_o00 PORIN D user 2 3 RMSD = 1.08 A TRANSFORM -0.6732 -0.7126 0.1973 0.3541 -0.0764 0.9321 0.6491 -0.6973 -0.3038 33.138 1.028 51.916 A 156 HIS A 186 HIS^? A 208 ASP A 172 ASP^? A 296 SER A 214 SER^? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.09 A TRANSFORM 0.4574 -0.5992 0.6570 0.6607 0.7235 0.1999 0.5952 -0.3427 -0.7269 55.775 -14.642 11.710 A 261 GLY A 180 GLY^? B 17 GLN A 159 GLN^? B 140 GLU A 179 GLU^? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 2 3 RMSD = 1.10 A TRANSFORM -0.3959 0.6202 -0.6772 0.2349 -0.6445 -0.7276 0.8877 0.4471 -0.1094 83.520 46.607 -27.116 A 261 GLY B 180 GLY^? B 17 GLN B 159 GLN^? B 140 GLU B 179 GLU^? ULMNm 3 1euu_c00 SIALIDASE user 1 3 RMSD = 1.12 A TRANSFORM -0.2935 -0.7577 0.5829 0.1159 0.5771 0.8084 0.9489 -0.3049 0.0815 5.288 -44.765 20.774 92 ASP A 143 ASP^? 260 GLU A 173 GLU^? 370 TYR A 171 TYR.? ULMNm 3 1euu_c00 SIALIDASE user 2 3 RMSD = 1.17 A TRANSFORM -0.7293 0.6839 0.0187 -0.5837 -0.6077 -0.5386 0.3569 0.4037 -0.8424 -0.003 29.776 43.516 92 ASP B 143 ASP^? 260 GLU B 173 GLU^? 370 TYR B 171 TYR.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 6 3 RMSD = 1.21 A TRANSFORM -0.3394 -0.8682 0.3619 -0.2320 0.4501 0.8623 0.9116 -0.2086 0.3542 40.548 0.126 9.609 A 316 ALA B 195 ALA.? A 317 GLY B 196 GLY.? A 318 ASP B 197 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.21 A TRANSFORM -0.3094 0.2361 -0.9211 0.6105 -0.6933 -0.3828 0.7291 0.6808 -0.0704 31.408 16.752 -10.241 141 ASP A 143 ASP^? 166 GLY A 114 GLY.? 169 GLU B 187 GLU.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 42 3 RMSD = 1.21 A TRANSFORM 0.1607 -0.6891 -0.7066 0.8207 0.4910 -0.2922 -0.5483 0.5330 -0.6445 82.695 16.823 25.704 A 229 ALA B 224 ALA.? A 257 ALA B 221 ALA^? A 328 ASP B 143 ASP^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 8 3 RMSD = 1.24 A TRANSFORM -0.5732 0.3082 0.7592 0.1462 0.9502 -0.2754 0.8063 0.0469 0.5897 20.185 16.047 -17.876 A 229 ALA A 155 ALA^? A 257 ALA A 221 ALA^? A 328 ASP A 175 ASP^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 1.24 A TRANSFORM -0.5581 0.8075 0.1911 -0.8273 -0.5236 -0.2036 0.0644 0.2717 -0.9602 15.255 60.800 52.302 A 316 ALA A 195 ALA.? A 317 GLY A 196 GLY.? A 318 ASP A 197 ASP.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.24 A TRANSFORM -0.2447 0.7993 0.5489 0.4461 0.5954 -0.6681 0.8609 -0.0814 0.5023 9.011 -112.830 -157.618 A 420 ALA A 193 ALA^? B 182 GLY B 123 GLY~? B 183 GLY A 196 GLY.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 21 3 RMSD = 1.24 A TRANSFORM 0.6005 0.7762 0.1921 0.6720 -0.3596 -0.6474 0.4334 -0.5178 0.7376 19.660 46.275 -9.117 A 229 ALA A 224 ALA.? A 257 ALA A 221 ALA^? A 328 ASP A 143 ASP^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 34 3 RMSD = 1.24 A TRANSFORM -0.9638 0.2664 0.0136 0.2581 0.9183 0.3003 -0.0675 -0.2929 0.9538 46.003 -10.052 -21.244 A 229 ALA B 221 ALA^? A 257 ALA B 154 ALA^? A 328 ASP B 143 ASP^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 12 3 RMSD = 1.25 A TRANSFORM -0.4400 -0.3889 0.8095 -0.0256 -0.8956 -0.4441 -0.8977 0.2161 -0.3841 27.166 52.681 21.401 A 229 ALA A 221 ALA^? A 257 ALA A 154 ALA^? A 328 ASP A 143 ASP^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 29 3 RMSD = 1.25 A TRANSFORM -0.8924 -0.4326 0.1288 0.4269 -0.9016 -0.0701 -0.1465 0.0076 -0.9892 58.528 42.615 44.660 A 229 ALA B 155 ALA^? A 257 ALA B 221 ALA^? A 328 ASP B 175 ASP^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 39 3 RMSD = 1.26 A TRANSFORM -0.1014 -0.2060 -0.9733 0.7628 0.6119 -0.2090 -0.6386 0.7636 -0.0951 84.324 10.493 -1.737 A 229 ALA B 224 ALA.? A 257 ALA B 154 ALA^? A 328 ASP B 143 ASP^? ULMNm 3 1sll_c00 SIALIDASE L user 1 3 RMSD = 1.27 A TRANSFORM 0.3494 -0.1401 0.9264 0.1313 0.9863 0.0996 0.9277 -0.0868 -0.3630 -18.104 -11.169 39.544 318 ASP A 143 ASP^? 595 GLU A 173 GLU^? 713 TYR A 171 TYR.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.27 A TRANSFORM -0.4711 -0.8749 -0.1126 0.8807 -0.4594 -0.1152 -0.0491 0.1534 -0.9869 65.221 -114.747 -104.050 A 420 ALA B 193 ALA^? B 182 GLY A 123 GLY~? B 183 GLY B 196 GLY.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 21 3 RMSD = 1.28 A TRANSFORM 0.6915 -0.2120 0.6905 0.5556 0.7670 -0.3210 0.4616 -0.6056 -0.6482 -23.043 -12.895 37.065 141 ASP B 143 ASP^? 166 GLY B 114 GLY.? 169 GLU A 187 GLU.? ULMNm 3 2odj_o00 PORIN D user 3 3 RMSD = 1.28 A TRANSFORM -0.2025 -0.9687 -0.1433 -0.2445 -0.0917 0.9653 0.9483 -0.2305 0.2182 47.293 2.300 24.307 A 156 HIS A 186 HIS^? A 208 ASP A 172 ASP^? A 296 SER B 124 SER~? ULMNm 3 2ace_c00 ACETYLCHOLINESTERASE user 1 3 RMSD = 1.29 A TRANSFORM -0.4738 0.8644 -0.1682 0.0501 -0.1642 -0.9852 0.8792 0.4752 -0.0345 -13.224 91.148 45.445 200 SER A 205 SER.? 327 GLU A 187 GLU.? 440 HIS A 186 HIS^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 6 3 RMSD = 1.29 A TRANSFORM -0.2885 0.5966 -0.7489 -0.9108 -0.4121 0.0226 0.2952 -0.6886 -0.6624 163.123 49.590 15.672 A 316 ALA B 195 ALA.? A 317 GLY B 196 GLY.? A 318 ASP B 197 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 19 3 RMSD = 1.30 A TRANSFORM -0.2694 0.4502 0.8513 0.0730 0.8910 -0.4481 0.9603 0.0586 0.2729 -33.566 -2.871 -26.740 141 ASP B 143 ASP^? 166 GLY A 196 GLY.? 169 GLU A 179 GLU^? ULMNm 3 1qe3_c00 PARA-NITROBENZYL ESTERASE user 1 3 RMSD = 1.30 A TRANSFORM -0.3619 0.1950 -0.9116 0.9187 -0.0913 -0.3843 0.1581 0.9766 0.1461 18.209 49.360 24.579 A 189 SER A 205 SER.? A 310 GLU A 187 GLU.? A 399 HIS A 186 HIS^? ULMNm 3 2ace_c00 ACETYLCHOLINESTERASE user 3 3 RMSD = 1.31 A TRANSFORM 0.0247 -0.8989 0.4375 0.8708 0.2343 0.4323 0.4911 -0.3703 -0.7885 -3.879 28.149 90.628 200 SER B 205 SER.? 327 GLU B 187 GLU.? 440 HIS B 186 HIS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 14 3 RMSD = 1.31 A TRANSFORM -0.9966 0.0734 0.0367 -0.0255 0.1475 -0.9887 0.0780 0.9863 0.1451 10.855 32.812 -27.615 141 ASP A 172 ASP^? 166 GLY A 196 GLY.? 169 GLU B 179 GLU^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 3 3 RMSD = 1.32 A TRANSFORM 0.6038 -0.5698 0.5575 -0.4597 0.3225 0.8275 0.6512 0.7559 0.0672 133.757 3.738 -40.781 A 316 ALA A 195 ALA.? A 317 GLY A 196 GLY.? A 318 ASP A 197 ASP.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 6 3 RMSD = 1.32 A TRANSFORM 0.7940 -0.5701 -0.2112 -0.6068 -0.7643 -0.2180 0.0372 -0.3013 0.9528 8.245 12.016 -70.066 B 250 ALA B 195 ALA.? B 251 GLY B 196 GLY.? B 252 ASP B 197 ASP.? ULMNm 3 2odj_o00 PORIN D user 6 3 RMSD = 1.32 A TRANSFORM -0.0987 0.9413 0.3230 -0.9718 -0.0212 -0.2351 0.2144 0.3370 -0.9168 -6.290 47.688 58.219 A 156 HIS B 186 HIS^? A 208 ASP B 172 ASP^? A 296 SER A 124 SER~? ULMNm 3 1qe3_c00 PARA-NITROBENZYL ESTERASE user 3 3 RMSD = 1.33 A TRANSFORM 0.6590 -0.1730 0.7320 0.7504 0.2177 -0.6241 0.0514 -0.9606 -0.2732 -39.282 52.862 77.249 A 189 SER B 205 SER.? A 310 GLU B 187 GLU.? A 399 HIS B 186 HIS^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 6 3 RMSD = 1.33 A TRANSFORM 0.7183 0.6755 -0.1664 -0.6407 0.7355 0.2202 -0.2712 0.0515 -0.9612 0.583 -15.266 28.445 A 250 ALA B 195 ALA.? A 251 GLY B 196 GLY.? A 252 ASP B 197 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 20 3 RMSD = 1.34 A TRANSFORM -0.0910 -0.0141 0.9958 0.9645 -0.2501 0.0846 -0.2479 -0.9681 -0.0363 -28.390 -5.152 35.626 141 ASP B 143 ASP^? 166 GLY A 196 GLY.? 169 GLU A 181 GLU^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 3 3 RMSD = 1.34 A TRANSFORM 0.4772 0.6548 -0.5861 -0.1472 0.7171 0.6812 -0.8664 0.2388 -0.4386 -0.341 -51.853 -25.344 B 250 ALA A 195 ALA.? B 251 GLY A 196 GLY.? B 252 ASP A 197 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.35 A TRANSFORM -0.9110 -0.0791 -0.4048 0.3554 0.3474 -0.8677 -0.2092 0.9344 0.2884 27.048 20.574 -12.649 141 ASP A 143 ASP^? 166 GLY B 196 GLY.? 169 GLU B 181 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 30 3 RMSD = 1.35 A TRANSFORM -0.4862 -0.2047 0.8495 0.8728 -0.0665 0.4835 0.0424 -0.9766 -0.2110 -15.739 -20.487 22.632 141 ASP B 172 ASP^? 166 GLY B 196 GLY.? 169 GLU A 179 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 31 3 RMSD = 1.36 A TRANSFORM -0.8247 -0.4078 0.3919 0.1780 -0.8448 -0.5046 -0.5368 0.3464 -0.7693 7.542 35.296 31.997 141 ASP B 172 ASP^? 166 GLY B 196 GLY.? 169 GLU B 179 GLU^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 3 3 RMSD = 1.36 A TRANSFORM 0.5307 -0.5926 -0.6059 -0.4011 -0.8054 0.4364 0.7466 -0.0114 0.6651 42.184 5.628 -34.695 A 250 ALA A 195 ALA.? A 251 GLY A 196 GLY.? A 252 ASP A 197 ASP.? ULMNm 3 1thg_c00 LIPASE (E.C.3.1.1.3) TRIACYLGLYCEROLuser 1 3 RMSD = 1.37 A TRANSFORM -0.0947 -0.9452 0.3124 -0.8925 0.2196 0.3939 0.4409 0.2416 0.8644 68.294 -1.517 -23.882 217 SER A 205 SER.? 354 GLU A 187 GLU.? 463 HIS A 186 HIS^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 22 3 RMSD = 1.37 A TRANSFORM 0.1832 -0.6548 -0.7333 -0.4175 0.6235 -0.6610 -0.8900 -0.4273 0.1591 81.261 38.787 24.153 A 229 ALA B 154 ALA^? A 257 ALA B 155 ALA^? A 328 ASP B 149 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 15 3 RMSD = 1.38 A TRANSFORM -0.8765 -0.2676 0.4001 -0.0021 -0.8291 -0.5592 -0.4813 0.4910 -0.7261 38.599 55.006 23.579 A 229 ALA A 221 ALA^? A 257 ALA A 224 ALA.? A 328 ASP A 143 ASP^? ULMNm 3 1thg_c00 LIPASE (E.C.3.1.1.3) TRIACYLGLYCEROLuser 3 3 RMSD = 1.39 A TRANSFORM -0.4239 0.9057 -0.0003 -0.7357 -0.3441 0.5833 -0.5282 -0.2475 -0.8122 45.942 1.785 50.875 217 SER B 205 SER.? 354 GLU B 187 GLU.? 463 HIS B 186 HIS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 13 3 RMSD = 1.39 A TRANSFORM -0.7795 0.2686 0.5659 0.4048 0.9054 0.1279 0.4780 -0.3288 0.8145 -11.753 -22.068 -17.369 141 ASP A 172 ASP^? 166 GLY A 196 GLY.? 169 GLU A 179 GLU^? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 10 3 RMSD = 1.39 A TRANSFORM 0.7886 0.2652 0.5548 0.6125 -0.2587 -0.7470 0.0546 -0.9288 0.3664 -5.415 97.183 43.750 A 228 ASP B 149 ASP~? A 261 ASP B 175 ASP^? A 329 ASP B 143 ASP^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.41 A TRANSFORM -0.8137 -0.5443 -0.2039 0.5433 -0.8369 0.0660 0.2066 0.0570 -0.9768 26.068 8.967 22.217 141 ASP A 143 ASP^? 166 GLY B 196 GLY.? 169 GLU B 179 GLU^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 17 3 RMSD = 1.41 A TRANSFORM 0.7999 0.2945 0.5229 0.5956 -0.4970 -0.6311 -0.0740 -0.8162 0.5730 15.954 47.477 1.696 A 229 ALA A 224 ALA.? A 257 ALA A 154 ALA^? A 328 ASP A 143 ASP^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.42 A TRANSFORM 0.6494 0.7249 0.2298 0.4604 -0.6153 0.6399 -0.6053 0.3097 0.7333 17.866 11.210 -11.942 A 229 ALA A 154 ALA^? A 257 ALA A 155 ALA^? A 328 ASP A 149 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 33 3 RMSD = 1.42 A TRANSFORM 0.3317 -0.0949 0.9386 -0.9271 -0.2167 0.3058 -0.1744 0.9716 0.1599 -25.140 23.445 -9.381 141 ASP B 197 ASP.? 166 GLY A 140 GLY^? 169 GLU A 101 GLU.? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 5 3 RMSD = 1.42 A TRANSFORM 0.5518 0.8245 0.1256 -0.1608 -0.0425 0.9861 -0.8183 0.5643 -0.1091 -27.399 38.383 23.406 179 ASP A 172 ASP^? 227 GLU A 187 GLU.? 289 ASP B 149 ASP~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 19 3 RMSD = 1.43 A TRANSFORM 0.2565 -0.7586 -0.5989 -0.9455 -0.0685 -0.3182 -0.2003 -0.6479 0.7349 30.263 89.590 12.851 179 ASP B 172 ASP^? 227 GLU B 187 GLU.? 289 ASP A 149 ASP~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 3 3 RMSD = 1.43 A TRANSFORM -0.0676 -0.2126 -0.9748 0.9086 0.3906 -0.1482 -0.4122 0.8957 -0.1667 62.918 61.855 30.409 A 228 ASP A 149 ASP~? A 261 ASP A 175 ASP^? A 329 ASP A 143 ASP^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 37 3 RMSD = 1.43 A TRANSFORM -0.7531 0.1085 0.6489 0.4066 0.8522 0.3294 0.5172 -0.5119 0.6859 21.315 -11.270 -13.384 A 229 ALA B 221 ALA^? A 257 ALA B 224 ALA.? A 328 ASP B 143 ASP^? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 2 3 RMSD = 1.43 A TRANSFORM -0.0055 0.7009 -0.7133 -0.8991 0.3088 0.3104 -0.4378 -0.6430 -0.6284 -15.968 14.300 32.730 A 14 GLU A 189 GLU^? A 61 GLU A 208 GLU^? A 162 HIS A 186 HIS^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 5 3 RMSD = 1.43 A TRANSFORM -0.8372 -0.0054 -0.5468 -0.1698 -0.9480 0.2693 0.5198 -0.3183 -0.7928 65.050 32.707 28.787 A 229 ALA A 155 ALA^? A 257 ALA A 154 ALA^? A 328 ASP A 149 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 27 3 RMSD = 1.43 A TRANSFORM 0.0847 -0.0637 0.9944 -0.4274 0.8991 0.0940 0.9001 0.4330 -0.0489 6.093 5.054 -14.187 A 229 ALA B 155 ALA^? A 257 ALA B 154 ALA^? A 328 ASP B 149 ASP~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 7 3 RMSD = 1.43 A TRANSFORM 0.6607 0.0783 0.7466 -0.1540 -0.9593 0.2369 -0.7347 0.2715 0.6217 16.205 59.335 -6.128 199 ASP B 149 ASP~? 242 GLU A 208 GLU^? 329 ASP B 143 ASP^? ULMNm 3 2odj_o01 PORIN D user 8 3 RMSD = 1.43 A TRANSFORM -0.4641 -0.7689 0.4398 0.7619 -0.0933 0.6409 0.4517 -0.6325 -0.6291 -8.019 -51.255 100.173 B 156 HIS B 186 HIS^? B 208 ASP B 172 ASP^? B 296 SER B 214 SER^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 40 3 RMSD = 1.43 A TRANSFORM 0.4400 -0.7701 -0.4619 0.0586 0.5379 -0.8410 -0.8961 -0.3430 -0.2818 73.746 43.374 35.801 A 229 ALA B 224 ALA.? A 257 ALA B 154 ALA^? A 328 ASP B 149 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 11 3 RMSD = 1.44 A TRANSFORM -0.9096 -0.3468 0.2288 -0.0930 0.7066 0.7015 0.4049 -0.6168 0.6749 64.445 -6.010 2.493 A 229 ALA A 195 ALA.? A 257 ALA A 193 ALA^? A 328 ASP B 122 ASP.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 31 3 RMSD = 1.46 A TRANSFORM -0.6782 0.2157 0.7026 -0.5621 -0.7680 -0.3068 -0.4734 0.6030 -0.6421 35.735 60.421 30.600 A 229 ALA B 195 ALA.? A 257 ALA B 193 ALA^? A 328 ASP A 122 ASP.? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 5 3 RMSD = 1.46 A TRANSFORM -0.9142 0.3686 -0.1685 0.3559 0.5312 -0.7689 0.1939 0.7629 0.6168 60.898 42.585 -33.333 199 ASP B 143 ASP^? 242 GLU B 181 GLU^? 329 ASP B 149 ASP~? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 2 3 RMSD = 1.47 A TRANSFORM 0.3311 -0.3683 -0.8687 0.8278 0.5553 0.0801 -0.4529 0.7457 -0.4887 41.434 -13.801 36.420 E 33 ASP A 122 ASP.? E 36 SER A 124 SER~? E 213 ASP B 197 ASP.? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 3 3 RMSD = 1.47 A TRANSFORM -0.3373 -0.0615 -0.9394 -0.3853 0.9195 0.0782 -0.8589 -0.3883 0.3338 84.524 30.327 17.734 199 ASP A 149 ASP~? 242 GLU B 208 GLU^? 329 ASP A 143 ASP^? ULMNm 3 1sme_c04 PLASMEPSIN II user 2 3 RMSD = 1.48 A TRANSFORM -0.8424 -0.4402 -0.3107 0.1065 0.4292 -0.8969 -0.5282 0.7887 0.3147 84.028 77.191 20.480 A 34 ASP A 122 ASP.? A 37 SER A 124 SER~? A 214 ASP B 197 ASP.? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 5 3 RMSD = 1.48 A TRANSFORM 0.8551 0.4910 0.1664 0.3965 -0.4125 -0.8202 0.3341 -0.7673 0.5474 -14.639 38.209 23.548 E 33 ASP B 122 ASP.? E 36 SER B 124 SER~? E 213 ASP A 197 ASP.? ULMNm 3 1sme_c04 PLASMEPSIN II user 6 3 RMSD = 1.48 A TRANSFORM -0.1836 0.3153 0.9311 0.8996 -0.3278 0.2884 -0.3961 -0.8906 0.2235 22.550 44.507 54.609 A 34 ASP B 122 ASP.? A 37 SER B 124 SER~? A 214 ASP A 197 ASP.? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 2 3 RMSD = 1.48 A TRANSFORM 0.6449 -0.6669 0.3733 -0.5649 -0.7450 -0.3548 -0.5147 -0.0179 0.8572 25.037 50.400 0.864 A 32 ASP A 122 ASP.? A 35 SER A 124 SER~? A 218 ASP B 197 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 11 3 RMSD = 1.48 A TRANSFORM -0.5290 -0.1909 -0.8269 -0.4740 0.8747 0.1013 -0.7039 -0.4456 0.5531 27.886 -1.644 18.614 141 ASP A 161 ASP^? 166 GLY A 196 GLY.? 169 GLU B 179 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 15 3 RMSD = 1.49 A TRANSFORM -0.9933 0.0833 0.0806 0.0229 0.8228 -0.5679 0.1136 0.5623 0.8191 9.180 2.984 -37.885 141 ASP A 172 ASP^? 166 GLY B 123 GLY~? 169 GLU B 179 GLU^? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 3 3 RMSD = 1.49 A TRANSFORM 0.6079 0.7159 -0.3434 -0.7876 0.4887 -0.3754 0.1009 -0.4987 -0.8609 -25.177 88.774 65.444 A 32 ASP A 122 ASP.? A 35 SER A 125 SER~? A 215 ASP B 197 ASP.? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.49 A TRANSFORM -0.2065 -0.7808 -0.5897 -0.8453 0.4459 -0.2944 -0.4927 -0.4377 0.7521 99.700 64.255 154.685 F 141 GLY B 116 GLY.? F 144 GLU A 187 GLU.? F 164 GLU A 189 GLU^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 18 3 RMSD = 1.49 A TRANSFORM 0.5503 0.8116 -0.1962 0.8258 -0.4944 0.2713 -0.1232 0.3113 0.9423 32.504 18.549 -24.480 A 229 ALA A 224 ALA.? A 257 ALA A 154 ALA^? A 328 ASP A 149 ASP~? ULMNm 3 1sme_c05 PLASMEPSIN II user 2 3 RMSD = 1.49 A TRANSFORM -0.1933 -0.1154 -0.9743 0.8427 0.4891 -0.2251 -0.5025 0.8646 -0.0027 47.157 78.266 60.923 B 34 ASP A 122 ASP.? B 37 SER A 124 SER~? B 214 ASP B 197 ASP.? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 5 3 RMSD = 1.49 A TRANSFORM 0.8259 0.4804 -0.2952 -0.5302 0.8397 -0.1170 -0.1917 -0.2531 -0.9483 73.313 54.910 164.833 D 141 GLY B 116 GLY.? D 144 GLU A 187 GLU.? D 164 GLU A 189 GLU^? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 5 3 RMSD = 1.49 A TRANSFORM -0.8545 -0.5075 0.1107 0.5191 -0.8422 0.1456 -0.0194 -0.1819 -0.9831 74.566 129.748 165.570 C 141 GLY B 116 GLY.? C 144 GLU A 187 GLU.? C 164 GLU A 189 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 29 3 RMSD = 1.49 A TRANSFORM -0.5237 -0.2186 0.8234 0.6007 -0.7801 0.1750 -0.6041 -0.5862 -0.5399 -14.206 3.861 36.581 141 ASP B 172 ASP^? 166 GLY A 123 GLY~? 169 GLU A 179 GLU^? ULMNm 3 1am5_c04 PEPSIN user 2 3 RMSD = 1.49 A TRANSFORM 0.1656 -0.6513 0.7405 0.8239 0.5040 0.2590 0.5419 -0.5673 -0.6201 -26.129 -21.763 149.495 32 ASP A 122 ASP.? 35 SER A 124 SER~? 215 ASP B 197 ASP.? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 2 3 RMSD = 1.49 A TRANSFORM -0.2060 -0.6783 -0.7054 0.3836 -0.7191 0.5795 0.9003 0.1512 -0.4083 38.886 -2.895 58.703 32 ASP A 122 ASP.? 35 SER A 124 SER~? 215 ASP B 197 ASP.? ULMNm 3 1mjo_d00 TRANSCRIPTION/DNA user 1 3 RMSD = 1.49 A TRANSFORM 0.2471 -0.9107 0.3309 0.7558 0.3949 0.5223 0.6064 -0.1211 -0.7859 66.808 -1.614 64.888 D 23 LYS A 115 LYS.? D 25 THR A 113 THR^? D 27 SER A 111 SER^? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 5 3 RMSD = 1.49 A TRANSFORM -0.1321 0.7322 -0.6682 -0.0647 0.6663 0.7429 -0.9891 -0.1414 0.0406 40.031 -17.464 35.266 A 32 ASP B 122 ASP.? A 35 SER B 124 SER~? A 218 ASP A 197 ASP.? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 4 3 RMSD = 1.50 A TRANSFORM 0.7284 -0.6429 0.2369 -0.6174 -0.4658 0.6339 0.2972 0.6080 0.7362 -28.127 14.923 -44.717 A 14 GLU B 189 GLU^? A 61 GLU B 208 GLU^? A 162 HIS B 186 HIS^? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 5 3 RMSD = 1.50 A TRANSFORM 0.0732 -0.2974 0.9519 -0.7836 0.5733 0.2393 0.6170 0.7634 0.1911 78.187 57.310 136.635 E 141 GLY B 116 GLY.? E 144 GLU A 187 GLU.? E 164 GLU A 189 GLU^? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 5 3 RMSD = 1.50 A TRANSFORM 0.4179 0.6905 0.5905 -0.4416 0.7224 -0.5322 0.7940 0.0383 -0.6068 -36.179 14.272 67.889 32 ASP B 122 ASP.? 35 SER B 124 SER~? 215 ASP A 197 ASP.?