*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1cwy_c00 AMYLOMALTASE user 2 3 RMSD = 0.71 A TRANSFORM 0.9231 0.3719 0.0980 -0.3739 0.9274 0.0032 0.0897 0.0396 -0.9952 -94.809 -76.898 2.439 A 293 ASP B 87 ASP~? A 340 GLU B 83 GLU~? A 395 ASP B 73 ASP~? ULMNm 3 1cwy_c00 AMYLOMALTASE user 1 3 RMSD = 0.72 A TRANSFORM 0.0765 0.6204 0.7806 0.7621 -0.5412 0.3554 -0.6429 -0.5677 0.5142 -114.155 -8.984 15.369 A 293 ASP A 87 ASP~? A 340 GLU A 83 GLU~? A 395 ASP A 73 ASP~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 8 3 RMSD = 0.76 A TRANSFORM -0.6397 0.7678 0.0346 -0.6184 -0.4875 -0.6164 0.4564 0.4157 -0.7867 21.222 49.408 -9.340 A 261 GLY B 34 GLY~? B 17 GLN B 39 GLN~? B 140 GLU B 35 GLU~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 3 3 RMSD = 0.81 A TRANSFORM 0.7401 -0.6710 0.0445 -0.5886 -0.6784 -0.4397 -0.3253 -0.2992 0.8970 91.336 56.779 7.170 A 261 GLY A 34 GLY~? B 17 GLN A 39 GLN~? B 140 GLU A 35 GLU~? ULMNm 3 1hwt_d00 GENE REGULATION/DNA user 1 3 RMSD = 0.92 A TRANSFORM 0.3895 -0.0168 -0.9209 -0.5272 0.8158 -0.2378 -0.7553 -0.5781 -0.3089 46.762 -4.436 78.695 C 70 ARG A 96 ARG~? C 71 LYS A 97 LYS~? C 72 VAL A 100 VAL~? ULMNm 3 1hwt_d00 GENE REGULATION/DNA user 3 3 RMSD = 0.92 A TRANSFORM -0.7038 -0.3205 0.6340 0.5909 -0.7595 0.2721 -0.3943 -0.5661 -0.7239 44.978 66.831 82.426 C 70 ARG B 96 ARG~? C 71 LYS B 97 LYS~? C 72 VAL B 100 VAL~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 17 3 RMSD = 0.97 A TRANSFORM -0.2013 -0.9661 0.1619 -0.1518 0.1941 0.9692 0.9677 -0.1705 0.1857 79.543 15.597 62.279 A 241 ASP B 70 ASP~? A 265 GLU B 88 GLU~? A 369 ASP B 77 ASP~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 26 3 RMSD = 1.11 A TRANSFORM -0.6763 0.2361 -0.6977 -0.6627 -0.6084 0.4366 0.3215 -0.7577 -0.5680 39.266 125.438 72.638 A 228 ASP B 73 ASP~? A 261 ASP B 124 ASP~? A 329 ASP B 87 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 5 3 RMSD = 1.13 A TRANSFORM 0.9260 0.0327 -0.3762 0.0390 0.9826 0.1815 -0.3756 0.1827 -0.9086 67.083 -56.222 32.103 A 67 ASP A 124 ASP~? A 68 ALA A 121 ALA~? A 72 LEU A 89 LEU~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 7 3 RMSD = 1.13 A TRANSFORM -0.0928 -0.9954 0.0218 0.0468 -0.0263 -0.9986 -0.9946 0.0916 -0.0491 91.336 112.585 25.811 A 228 ASP A 73 ASP~? A 261 ASP A 124 ASP~? A 329 ASP A 87 ASP~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 2 3 RMSD = 1.15 A TRANSFORM 0.7579 -0.1911 0.6238 0.5744 0.6487 -0.4992 0.3093 -0.7367 -0.6014 61.602 -2.967 47.234 A 261 GLY A 34 GLY~? B 17 GLN A 30 GLN.? B 140 GLU A 35 GLU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 11 3 RMSD = 1.16 A TRANSFORM -0.4680 0.3983 0.7889 0.8240 -0.1259 0.5524 -0.3193 -0.9086 0.2692 36.520 -6.839 72.275 A 67 ASP B 124 ASP~? A 68 ALA B 121 ALA~? A 72 LEU B 89 LEU~? ULMNm 3 2odj_o01 PORIN D user 2 3 RMSD = 1.17 A TRANSFORM -0.1230 0.7137 0.6896 -0.9519 -0.2814 0.1215 -0.2807 0.6415 -0.7140 -56.833 12.459 55.768 B 156 HIS A 43 HIS~? B 208 ASP B 51 ASP~? B 296 SER B 25 SER.? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 14 3 RMSD = 1.22 A TRANSFORM 0.9197 -0.0958 0.3808 -0.0077 -0.9740 -0.2265 -0.3926 -0.2054 0.8965 68.681 120.278 138.195 A 50 ASP B 87 ASP~? A 327 GLU A 78 GLU~? A 339 ARG A 63 ARG.? ULMNm 3 2odj_o01 PORIN D user 6 3 RMSD = 1.24 A TRANSFORM 0.9861 0.1310 0.1027 0.1562 -0.5150 -0.8428 0.0575 -0.8471 0.5283 -22.217 34.155 115.302 B 156 HIS B 43 HIS~? B 208 ASP A 51 ASP~? B 296 SER A 25 SER.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.24 A TRANSFORM 0.9078 0.2384 -0.3450 0.0258 -0.8528 -0.5216 0.4186 -0.4646 0.7803 51.758 61.511 31.488 A 67 ASP A 24 ASP~? A 68 ALA A 21 ALA~? A 72 LEU A 22 LEU~? ULMNm 3 1oyg_c00 LEVANSUCRASE user 2 3 RMSD = 1.24 A TRANSFORM -0.1643 0.6548 -0.7377 0.3632 0.7355 0.5719 -0.9171 0.1740 0.3587 33.983 -34.078 -12.772 A 86 ASP A 73 ASP~? A 247 ASP A 87 ASP~? A 342 GLU A 83 GLU~? ULMNm 3 1oyg_c00 LEVANSUCRASE user 5 3 RMSD = 1.26 A TRANSFORM 0.0570 -0.7809 0.6221 0.7954 0.4121 0.4444 0.6034 -0.4695 -0.6446 88.999 -17.267 29.644 A 86 ASP B 73 ASP~? A 247 ASP B 87 ASP~? A 342 GLU B 83 GLU~? ULMNm 3 2c7v_c09 PTERIDINE REDUCTASE user 2 3 RMSD = 1.27 A TRANSFORM 0.6755 0.7356 0.0510 -0.6324 0.6136 -0.4727 0.3790 -0.2871 -0.8797 -69.714 -0.385 33.176 B 14 ARG A 96 ARG~? B 161 ASP B 51 ASP~? B 174 TYR A 103 TYR~? ULMNm 3 3hde_o00 LYSOZYME user 5 3 RMSD = 1.27 A TRANSFORM -0.0432 -0.9302 0.3645 0.8103 0.1808 0.5574 0.5844 -0.3195 -0.7460 39.642 -61.126 -14.072 A 35 GLU B 10 GLU~? A 44 ASP B 55 ASP~? A 50 THR B 52 THR~? ULMNm 3 2c7v_c09 PTERIDINE REDUCTASE user 4 3 RMSD = 1.27 A TRANSFORM 0.3752 0.3050 0.8753 0.3228 -0.9282 0.1850 -0.8689 -0.2131 0.4467 -57.581 67.655 15.206 B 14 ARG B 96 ARG~? B 161 ASP A 51 ASP~? B 174 TYR B 103 TYR~? ULMNm 3 2c7v_c08 PTERIDINE REDUCTASE user 2 3 RMSD = 1.28 A TRANSFORM -0.7442 -0.4114 0.5262 0.6407 -0.6625 0.3882 -0.1889 -0.6260 -0.7566 31.087 9.816 68.426 A 14 ARG A 96 ARG~? A 161 ASP B 51 ASP~? A 174 TYR A 103 TYR~? ULMNm 3 3hde_o01 LYSOZYME user 6 3 RMSD = 1.30 A TRANSFORM -0.0928 0.4055 0.9094 -0.8573 -0.4970 0.1341 -0.5064 0.7671 -0.3938 -37.431 32.836 -42.648 B 35 GLU B 10 GLU~? B 44 ASP B 55 ASP~? B 50 THR B 52 THR~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 10 3 RMSD = 1.30 A TRANSFORM 0.3982 -0.9062 0.1424 0.3268 -0.0050 -0.9451 -0.8571 -0.4228 -0.2941 31.582 38.563 176.193 A 70 ALA B 21 ALA~? A 126 LEU B 22 LEU~? A 158 GLU A 32 GLU~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 30 3 RMSD = 1.30 A TRANSFORM -0.3047 0.6457 0.7001 0.3020 -0.6317 0.7140 -0.9033 -0.4290 0.0025 -7.690 93.973 84.971 A 228 ASP B 77 ASP~? A 261 ASP B 51 ASP~? A 329 ASP B 70 ASP~? ULMNm 3 3hde_o00 LYSOZYME user 1 3 RMSD = 1.30 A TRANSFORM -0.4049 0.4770 -0.7801 0.2669 0.8777 0.3981 -0.8745 0.0470 0.4827 -16.651 -93.292 -45.326 A 35 GLU A 10 GLU~? A 44 ASP A 55 ASP~? A 50 THR A 52 THR~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 10 3 RMSD = 1.31 A TRANSFORM -0.5607 0.4165 0.7156 0.1776 -0.7836 0.5953 -0.8087 -0.4609 -0.3654 -54.488 33.600 180.200 B 70 ALA B 21 ALA~? B 126 LEU B 22 LEU~? B 158 GLU A 32 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 10 3 RMSD = 1.31 A TRANSFORM 0.0723 0.4385 -0.8958 -0.5851 0.7461 0.3180 -0.8078 -0.5011 -0.3105 -7.728 -38.235 180.478 C 70 ALA B 21 ALA~? C 126 LEU B 22 LEU~? C 158 GLU A 32 GLU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 8 3 RMSD = 1.31 A TRANSFORM -0.3017 0.3603 0.8827 -0.9531 -0.0901 -0.2890 0.0246 0.9285 -0.3706 32.634 21.831 -23.920 A 67 ASP B 24 ASP~? A 68 ALA B 21 ALA~? A 72 LEU B 22 LEU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 6 3 RMSD = 1.33 A TRANSFORM 0.4092 -0.5435 -0.7329 0.1316 0.8300 -0.5420 -0.9029 -0.1253 -0.4112 106.435 -23.291 28.150 A 67 ASP A 124 ASP~? A 68 ALA A 121 ALA~? A 72 LEU A 122 LEU~? ULMNm 3 2c7v_c11 PTERIDINE REDUCTASE user 2 3 RMSD = 1.33 A TRANSFORM 0.7571 0.3895 -0.5245 0.6397 -0.6046 0.4745 0.1323 0.6948 0.7069 -46.141 5.560 -32.432 D 14 ARG A 96 ARG~? D 161 ASP B 51 ASP~? D 174 TYR A 103 TYR~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 6 3 RMSD = 1.33 A TRANSFORM -0.0692 0.9250 0.3736 -0.8343 0.1516 -0.5301 0.5470 0.3483 -0.7612 18.675 68.405 128.882 A 50 ASP A 87 ASP~? A 327 GLU B 78 GLU~? A 339 ARG B 63 ARG.? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 26 3 RMSD = 1.33 A TRANSFORM -0.4023 0.7922 0.4589 0.4335 -0.2767 0.8576 -0.8064 -0.5440 0.2321 -11.644 65.105 87.175 A 228 ASP B 77 ASP~? A 260 ASP B 58 ASP~? A 329 ASP B 70 ASP~? ULMNm 3 1js4_c00 ENDO-EXOCELLULASE E4 user 3 3 RMSD = 1.34 A TRANSFORM 0.0032 0.6066 -0.7950 0.4314 -0.7181 -0.5461 0.9021 0.3412 0.2640 52.927 114.756 -14.892 A 55 ASP A 73 ASP~? A 58 ASP A 77 ASP~? A 424 GLU A 83 GLU~? ULMNm 3 3hde_o01 LYSOZYME user 2 3 RMSD = 1.35 A TRANSFORM 0.9058 0.3834 -0.1802 -0.0231 -0.3799 -0.9247 0.4230 -0.8418 0.3353 -24.487 38.491 27.985 B 35 GLU A 10 GLU~? B 44 ASP A 55 ASP~? B 50 THR A 52 THR~? ULMNm 3 2odj_o01 PORIN D user 9 3 RMSD = 1.36 A TRANSFORM -0.6971 0.5383 -0.4736 -0.4280 -0.8424 -0.3274 0.5752 0.0255 -0.8176 -23.037 49.926 65.360 B 156 HIS B 118 HIS~? B 208 ASP B 69 ASP~? B 296 SER B 131 SER~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 7 3 RMSD = 1.36 A TRANSFORM 0.1025 0.9846 0.1416 -0.0307 -0.1392 0.9898 -0.9943 0.1058 -0.0159 9.671 19.414 -0.410 A 261 GLY B 34 GLY~? B 17 GLN B 30 GLN.? B 140 GLU B 35 GLU~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 6 3 RMSD = 1.37 A TRANSFORM -0.6104 -0.0609 -0.7897 0.7917 -0.0154 -0.6107 -0.0251 0.9980 -0.0576 78.301 19.165 -49.362 199 ASP B 73 ASP~? 218 GLU B 35 GLU~? 329 ASP B 87 ASP~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 15 3 RMSD = 1.37 A TRANSFORM -0.7028 -0.5670 -0.4296 0.5970 -0.1418 -0.7896 -0.3868 0.8114 -0.4382 109.566 85.129 6.513 229 ASP B 70 ASP~? 264 GLU B 85 GLU~? 328 ASP B 77 ASP~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 4 3 RMSD = 1.37 A TRANSFORM -0.3521 0.9165 -0.1899 0.8661 0.3960 0.3050 -0.3547 0.0570 0.9332 13.634 -21.309 2.185 199 ASP B 58 ASP~? 218 GLU B 110 GLU~? 329 ASP B 64 ASP.? ULMNm 3 1js4_c00 ENDO-EXOCELLULASE E4 user 7 3 RMSD = 1.37 A TRANSFORM -0.0742 -0.6752 0.7339 -0.9851 0.1643 0.0515 0.1553 0.7191 0.6773 98.813 65.228 -38.037 A 55 ASP B 73 ASP~? A 58 ASP B 77 ASP~? A 424 GLU B 83 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.38 A TRANSFORM 0.7351 -0.6719 -0.0908 0.6218 0.7215 -0.3045 -0.2702 -0.1674 -0.9482 45.881 -31.740 46.986 141 ASP A 69 ASP~? 166 GLY A 59 GLY~? 169 GLU A 136 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.38 A TRANSFORM -0.6682 0.6291 -0.3972 -0.7035 -0.3606 0.6124 -0.2420 -0.6886 -0.6835 -37.395 39.076 193.376 A 70 ALA A 21 ALA~? A 126 LEU A 22 LEU~? A 158 GLU B 32 GLU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 12 3 RMSD = 1.38 A TRANSFORM -0.9714 -0.0231 0.2363 0.2150 -0.5086 0.8337 -0.1009 -0.8607 -0.4991 70.692 27.008 64.998 A 67 ASP B 124 ASP~? A 68 ALA B 121 ALA~? A 72 LEU B 122 LEU~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 5 3 RMSD = 1.38 A TRANSFORM -0.0646 -0.1310 -0.9893 -0.4029 -0.9035 0.1460 0.9130 -0.4080 -0.0055 89.672 55.678 21.360 A 261 GLY A 109 GLY~? B 17 GLN A 39 GLN~? B 140 GLU A 35 GLU~? ULMNm 3 1qrz_c20 PLASMINOGEN user 1 3 RMSD = 1.39 A TRANSFORM 0.9106 -0.2577 0.3232 -0.2959 0.1397 0.9450 0.2887 0.9561 -0.0509 -2.699 -22.067 -18.110 A 603 HIS A 18 HIS~? A 646 ASP A 24 ASP~? A 739 GLY B 34 GLY~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.39 A TRANSFORM 0.9167 -0.0681 -0.3937 -0.2267 0.7228 -0.6528 -0.3290 -0.6877 -0.6472 -18.896 -26.323 194.315 B 70 ALA A 21 ALA~? B 126 LEU A 22 LEU~? B 158 GLU B 32 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.39 A TRANSFORM -0.8671 -0.2092 0.4520 -0.4929 0.2296 -0.8393 -0.0717 0.9505 0.3022 92.207 74.094 80.283 D 141 GLY B 34 GLY~? D 144 GLU B 35 GLU~? D 164 GLU B 32 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.40 A TRANSFORM -0.2821 -0.6367 0.7176 0.9040 -0.4269 -0.0234 -0.3213 -0.6421 -0.6960 27.251 22.601 191.553 C 70 ALA A 21 ALA~? C 126 LEU A 22 LEU~? C 158 GLU B 32 GLU~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 1.40 A TRANSFORM -0.3800 -0.9208 -0.0884 -0.6267 0.1859 0.7568 0.6804 -0.3430 0.6477 112.403 -5.490 8.525 199 ASP A 73 ASP~? 218 GLU A 35 GLU~? 329 ASP A 87 ASP~? ULMNm 3 1js4_c01 ENDO-EXOCELLULASE E4 user 3 3 RMSD = 1.40 A TRANSFORM -0.8001 0.1948 0.5674 -0.1862 0.8184 -0.5436 0.5703 0.5406 0.6185 78.685 32.617 -41.909 B 55 ASP A 73 ASP~? B 58 ASP A 77 ASP~? B 424 GLU A 83 GLU~? ULMNm 3 1pyi_d00 PROTEIN (PYRIMIDINE PATHWAY REGULATOuser 2 3 RMSD = 1.41 A TRANSFORM 0.3154 -0.1575 -0.9358 -0.8972 -0.3708 -0.2399 0.3092 -0.9153 0.2582 78.542 95.155 166.149 A 40 LYS A 90 LYS~? A 41 LYS A 91 LYS~? A 42 ILE A 93 ILE~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 4 3 RMSD = 1.41 A TRANSFORM 0.6195 -0.3139 -0.7196 0.6745 0.6817 0.2834 -0.4016 0.6609 -0.6340 90.255 -17.636 -7.308 A 261 GLY A 109 GLY~? B 17 GLN A 30 GLN.? B 140 GLU A 35 GLU~? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.41 A TRANSFORM -0.6725 0.5051 0.5410 -0.6945 -0.6833 -0.2255 -0.2558 0.5273 -0.8102 -27.463 41.460 58.541 D 124 ALA A 106 ALA~? D 126 ARG B 40 ARG~? D 138 GLU A 110 GLU~? ULMNm 3 1pyi_d00 PROTEIN (PYRIMIDINE PATHWAY REGULATOuser 5 3 RMSD = 1.41 A TRANSFORM -0.8036 -0.2933 0.5179 -0.2004 -0.6861 -0.6994 -0.5605 0.6658 -0.4925 69.022 116.323 96.636 A 40 LYS B 90 LYS~? A 41 LYS B 91 LYS~? A 42 ILE B 93 ILE~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.41 A TRANSFORM 0.4070 -0.2389 -0.8816 -0.2278 -0.9612 0.1553 0.8845 -0.1376 0.4457 108.202 121.323 131.819 D 141 GLY A 34 GLY~? D 144 GLU A 35 GLU~? D 164 GLU A 32 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.41 A TRANSFORM 0.8333 0.3901 -0.3917 0.5074 -0.2586 0.8220 -0.2194 0.8837 0.4134 40.199 112.815 85.705 C 141 GLY B 34 GLY~? C 144 GLU B 35 GLU~? C 164 GLU B 32 GLU~? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.42 A TRANSFORM 0.9218 0.3707 -0.1133 -0.2670 0.8191 0.5077 -0.2810 0.4378 -0.8540 -27.544 -36.924 63.321 E 124 ALA A 106 ALA~? E 126 ARG B 40 ARG~? E 138 GLU A 110 GLU~? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 5 3 RMSD = 1.42 A TRANSFORM 0.9121 -0.2656 -0.3123 -0.4023 -0.4327 -0.8068 -0.0792 -0.8615 0.5015 18.991 35.378 112.317 D 124 ALA B 106 ALA~? D 126 ARG A 40 ARG~? D 138 GLU B 110 GLU~? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 5 3 RMSD = 1.42 A TRANSFORM -0.1060 0.4625 0.8803 0.9812 -0.0952 0.1682 -0.1615 -0.8815 0.4437 -42.439 11.110 113.860 E 124 ALA B 106 ALA~? E 126 ARG A 40 ARG~? E 138 GLU B 110 GLU~? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.43 A TRANSFORM -0.6440 0.5177 0.5632 0.7228 0.6530 0.2263 0.2506 -0.5528 0.7948 -28.794 -37.778 25.326 B 124 ALA A 106 ALA~? B 126 ARG B 40 ARG~? B 138 GLU A 110 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.43 A TRANSFORM 0.4960 0.7225 0.4816 -0.1010 0.5988 -0.7945 0.8624 -0.3454 -0.3700 16.249 45.016 177.702 F 141 GLY B 34 GLY~? F 144 GLU B 35 GLU~? F 164 GLU B 32 GLU~? ULMNm 3 2odj_o00 PORIN D user 10 3 RMSD = 1.43 A TRANSFORM -0.5220 0.1207 0.8444 0.5351 0.8173 0.2140 0.6643 -0.5635 0.4912 13.613 -40.285 47.462 A 156 HIS B 118 HIS~? A 208 ASP B 69 ASP~? A 296 SER B 131 SER~? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 5 3 RMSD = 1.43 A TRANSFORM 0.9270 -0.2337 -0.2934 0.3714 0.4627 0.8050 0.0524 0.8552 -0.5157 16.739 -34.600 -29.389 B 124 ALA B 106 ALA~? B 126 ARG A 40 ARG~? B 138 GLU B 110 GLU~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 7 3 RMSD = 1.43 A TRANSFORM -0.5494 0.2457 -0.7986 0.7953 0.4470 -0.4095 -0.2564 0.8601 0.4410 30.173 18.772 9.378 A 241 ASP A 70 ASP~? A 265 GLU A 88 GLU~? A 369 ASP A 77 ASP~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 18 3 RMSD = 1.43 A TRANSFORM -0.2541 0.6859 -0.6819 0.9463 0.3221 -0.0287 -0.2000 0.6526 0.7309 -18.057 -16.058 38.599 A 241 ASP B 77 ASP~? A 265 GLU B 88 GLU~? A 369 ASP B 70 ASP~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 31 3 RMSD = 1.43 A TRANSFORM 0.1595 0.6651 0.7295 0.7187 -0.5849 0.3761 -0.6768 -0.4643 0.5713 -18.765 89.339 71.761 A 228 ASP B 87 ASP~? A 261 ASP B 51 ASP~? A 329 ASP B 69 ASP~? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.44 A TRANSFORM -0.2394 -0.8698 -0.4314 0.9124 -0.0496 -0.4063 -0.3320 0.4909 -0.8055 41.031 1.738 60.782 F 124 ALA A 106 ALA~? F 126 ARG B 40 ARG~? F 138 GLU A 110 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.44 A TRANSFORM -0.2314 0.1996 0.9521 0.1923 0.9688 -0.1564 0.9536 -0.1469 0.2626 34.836 63.624 137.642 C 141 GLY A 34 GLY~? C 144 GLU A 35 GLU~? C 164 GLU A 32 GLU~? ULMNm 3 2odj_o01 PORIN D user 4 3 RMSD = 1.44 A TRANSFORM 0.3119 -0.9326 0.1815 -0.7559 -0.3594 -0.5473 -0.5756 -0.0335 0.8170 39.576 26.287 49.237 B 156 HIS A 118 HIS~? B 208 ASP A 69 ASP~? B 296 SER A 131 SER~? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 5 3 RMSD = 1.45 A TRANSFORM -0.8063 -0.1967 -0.5579 -0.5867 0.3865 0.7116 -0.0756 -0.9011 0.4270 9.644 -31.185 115.535 F 124 ALA B 106 ALA~? F 126 ARG A 40 ARG~? F 138 GLU B 110 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.46 A TRANSFORM 0.6661 0.4403 0.6021 -0.0596 -0.7732 0.6314 -0.7435 0.4564 0.4887 28.721 96.391 129.216 F 141 GLY A 34 GLY~? F 144 GLU A 35 GLU~? F 164 GLU A 32 GLU~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 20 3 RMSD = 1.46 A TRANSFORM 0.1046 0.9185 0.3814 -0.9945 0.1002 0.0313 0.0095 0.3825 -0.9239 -34.049 94.251 25.512 A 228 ASP B 58 ASP~? A 261 ASP B 69 ASP~? A 329 ASP B 64 ASP.? ULMNm 3 1js4_c01 ENDO-EXOCELLULASE E4 user 7 3 RMSD = 1.46 A TRANSFORM 0.7290 -0.2671 -0.6303 0.2927 -0.7107 0.6397 0.6188 0.6508 0.4399 114.354 94.297 -45.542 B 55 ASP B 73 ASP~? B 58 ASP B 77 ASP~? B 424 GLU B 83 GLU~? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 3 3 RMSD = 1.46 A TRANSFORM 0.3989 0.8970 0.1906 0.7771 -0.4410 0.4490 -0.4869 0.0310 0.8729 -37.461 86.219 4.702 A 228 ASP A 51 ASP~? A 260 ASP A 70 ASP~? A 329 ASP A 58 ASP~? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.47 A TRANSFORM 0.9318 0.3401 -0.1267 0.2300 -0.8233 -0.5189 0.2808 -0.4544 0.8454 -25.818 40.275 19.879 C 124 ALA A 106 ALA~? C 126 ARG B 40 ARG~? C 138 GLU A 110 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.47 A TRANSFORM 0.5768 -0.8119 -0.0901 -0.0252 0.0925 -0.9954 -0.8165 -0.5765 -0.0329 134.658 83.760 199.669 E 141 GLY B 34 GLY~? E 144 GLU B 35 GLU~? E 164 GLU B 32 GLU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.47 A TRANSFORM -0.3564 -0.7723 -0.5258 0.1167 -0.5952 0.7951 0.9270 -0.2220 -0.3022 132.937 139.927 168.067 B 141 GLY B 34 GLY~? B 144 GLU B 35 GLU~? B 164 GLU B 32 GLU~? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 5 3 RMSD = 1.48 A TRANSFORM -0.1414 0.4695 0.8715 -0.9795 0.0611 -0.1918 0.1433 0.8808 -0.4513 -42.582 -6.150 -31.440 C 124 ALA B 106 ALA~? C 126 ARG A 40 ARG~? C 138 GLU B 110 GLU~? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 7 3 RMSD = 1.48 A TRANSFORM -0.0462 0.5955 0.8021 0.8629 -0.3807 0.3324 -0.5033 -0.7075 0.4962 -38.769 12.853 127.731 32 ASP B 70 ASP~? 35 SER B 67 SER~? 215 ASP B 73 ASP~? ULMNm 3 1do8_c03 MALIC ENZYME user 3 3 RMSD = 1.48 A TRANSFORM 0.8914 -0.2192 0.3967 -0.4518 -0.3589 0.8168 0.0366 0.9073 0.4189 39.415 -24.785 -52.276 D 112 TYR A 112 TYR~? D 183 LYS A 116 LYS~? D 278 ASP A 24 ASP~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 24 3 RMSD = 1.48 A TRANSFORM -0.0997 0.2233 -0.9696 -0.8128 -0.5803 -0.0500 0.5739 -0.7832 -0.2394 26.256 127.995 68.108 A 228 ASP B 69 ASP~? A 261 ASP B 124 ASP~? A 329 ASP B 87 ASP~? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 1 3 RMSD = 1.48 A TRANSFORM -0.1212 0.6411 -0.7578 0.3360 0.7449 0.5764 -0.9340 0.1848 0.3058 -20.700 -54.127 50.273 32 ASP A 5 ASP~? 35 SER A 7 SER~? 215 ASP A 55 ASP~? ULMNm 3 1dj1_c00 CYTOCHROME C PEROXIDASE user 1 3 RMSD = 1.49 A TRANSFORM -0.6325 0.7338 0.2480 0.1946 -0.1594 0.9678 -0.7497 -0.6604 0.0420 -52.377 12.950 29.901 A 48 ALA A 21 ALA~? A 52 HIS A 18 HIS~? A 191 TRP A 29 TRP.? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.49 A TRANSFORM -0.8041 0.5843 -0.1097 -0.5677 -0.6997 0.4338 -0.1768 -0.4110 -0.8943 66.757 106.808 200.979 E 141 GLY A 34 GLY~? E 144 GLU A 35 GLU~? E 164 GLU A 32 GLU~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 15 3 RMSD = 1.50 A TRANSFORM -0.3452 -0.9187 0.1921 0.5944 -0.0556 0.8022 0.7263 -0.3911 -0.5653 79.377 19.315 95.358 A 241 ASP B 69 ASP~? A 265 GLU B 110 GLU~? A 369 ASP B 87 ASP~? ULMNm 3 1i1e_c00 BOTULINUM NEUROTOXIN TYPE B user 2 3 RMSD = 1.50 A TRANSFORM -0.3034 0.2740 -0.9126 0.9359 0.2655 -0.2314 -0.1789 0.9244 0.3370 22.002 -18.551 -23.754 A 267 GLU B 47 GLU~? A 369 ARG B 40 ARG~? A 372 TYR A 103 TYR~?