*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1pix_c02 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 2 4 RMSD = 1.41 A TRANSFORM 0.8895 0.3275 0.3187 0.1861 0.3774 -0.9072 -0.4174 0.8662 0.2747 15.688 150.858 15.754 A 457 ALA B 74 ALA~? A 458 ALA B 73 ALA~? B 193 ALA B 36 ALA~? B 194 GLY B 34 GLY~? ULMNm 4 1pix_c03 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 2 4 RMSD = 1.43 A TRANSFORM -0.5944 -0.6346 -0.4940 0.0933 -0.6645 0.7415 -0.7988 0.3946 0.4541 94.826 66.129 15.067 A 193 ALA B 36 ALA~? A 194 GLY B 34 GLY~? B 457 ALA B 74 ALA~? B 458 ALA B 73 ALA~? ULMNm 3 2tmd_c03 TRIMETHYLAMINE DEHYDROGENASE user 8 3 RMSD = 0.76 A TRANSFORM -0.1335 -0.9541 -0.2683 -0.8804 -0.0101 0.4741 -0.4551 0.2995 -0.8386 72.858 8.600 37.075 B 169 TYR A 89 TYR~? B 172 HIS A 25 HIS~? B 174 TYR A 21 TYR~? ULMNm 3 2tmd_c02 TRIMETHYLAMINE DEHYDROGENASE user 8 3 RMSD = 0.76 A TRANSFORM -0.1083 0.9544 0.2781 -0.9048 0.0213 -0.4253 -0.4118 -0.2977 0.8613 1.411 33.363 5.825 A 169 TYR A 89 TYR~? A 172 HIS A 25 HIS~? A 174 TYR A 21 TYR~? ULMNm 3 2tmd_c03 TRIMETHYLAMINE DEHYDROGENASE user 16 3 RMSD = 0.80 A TRANSFORM 0.4355 0.8885 0.1446 -0.8214 0.4580 -0.3401 -0.3684 0.0294 0.9292 11.983 18.279 -1.182 B 169 TYR B 89 TYR~? B 172 HIS B 25 HIS~? B 174 TYR B 21 TYR~? ULMNm 3 2tmd_c02 TRIMETHYLAMINE DEHYDROGENASE user 15 3 RMSD = 0.80 A TRANSFORM -0.6390 -0.7598 -0.1201 -0.6804 0.4854 0.5490 -0.3589 0.4325 -0.8272 58.725 -3.590 30.599 A 169 TYR B 89 TYR~? A 172 HIS B 25 HIS~? A 174 TYR B 21 TYR~? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 2 3 RMSD = 1.00 A TRANSFORM -0.0919 -0.5122 -0.8539 -0.7421 0.6070 -0.2842 0.6639 0.6076 -0.4359 40.277 55.724 86.183 A 270 ASN A 88 ASN~? A 384 ASN B 5 ASN^? A 385 GLU A 43 GLU^? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 3 3 RMSD = 1.03 A TRANSFORM 0.4749 0.4114 0.7780 -0.8407 -0.0493 0.5393 0.2602 -0.9101 0.3224 -30.614 51.856 109.198 A 270 ASN B 88 ASN~? A 384 ASN A 5 ASN^? A 385 GLU B 43 GLU^? ULMNm 3 1euu_c00 SIALIDASE user 1 3 RMSD = 1.08 A TRANSFORM -0.3425 0.7458 -0.5713 -0.9392 -0.2568 0.2278 0.0232 0.6147 0.7885 8.124 15.480 -11.071 92 ASP A 66 ASP.? 260 GLU A 104 GLU.? 370 TYR A 39 TYR^? ULMNm 3 1bu7_c02 CYTOCHROME P450 user 1 3 RMSD = 1.08 A TRANSFORM 0.5972 -0.7664 -0.2366 0.8019 0.5635 0.1985 -0.0188 -0.3083 0.9511 54.732 34.796 22.340 A 268 THR B 41 THR^? A 393 PHE B 63 PHE^? A 400 CYH B 37 CYH~? ULMNm 3 1euu_c00 SIALIDASE user 2 3 RMSD = 1.08 A TRANSFORM -0.5659 -0.4475 0.6924 -0.6611 0.7481 -0.0568 -0.4926 -0.4899 -0.7193 8.355 -5.277 59.573 92 ASP B 66 ASP^? 260 GLU B 104 GLU.? 370 TYR B 39 TYR^? ULMNm 3 1sll_c00 SIALIDASE L user 1 3 RMSD = 1.10 A TRANSFORM -0.8447 0.4941 0.2057 -0.3709 -0.8176 0.4405 0.3858 0.2958 0.8739 12.060 31.814 -3.955 318 ASP A 66 ASP.? 595 GLU A 104 GLU.? 713 TYR A 39 TYR^? ULMNm 3 1bu7_c03 CYTOCHROME P450 user 2 3 RMSD = 1.11 A TRANSFORM -0.5733 0.8083 0.1338 -0.7157 -0.4145 -0.5621 -0.3989 -0.4180 0.8162 29.856 158.062 46.184 B 268 THR B 41 THR^? B 393 PHE B 63 PHE^? B 400 CYH B 37 CYH~? ULMNm 3 1sll_c00 SIALIDASE L user 2 3 RMSD = 1.13 A TRANSFORM -0.9972 0.0732 0.0140 0.0602 0.9023 -0.4269 -0.0438 -0.4248 -0.9042 28.874 6.380 63.092 318 ASP B 66 ASP^? 595 GLU B 104 GLU.? 713 TYR B 39 TYR^? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 3 RMSD = 1.16 A TRANSFORM -0.4299 -0.3464 -0.8338 -0.8698 -0.0887 0.4853 -0.2420 0.9339 -0.2632 49.552 115.652 -8.849 193 ASP A 85 ASP~? 231 ASP B 107 ASP.? 294 ASP A 17 ASP~? ULMNm 3 1bu7_c03 CYTOCHROME P450 user 1 3 RMSD = 1.16 A TRANSFORM -0.9379 -0.3440 0.0446 -0.2249 0.7011 0.6766 -0.2640 0.6246 -0.7350 64.562 93.927 58.151 B 268 THR A 41 THR^? B 393 PHE A 63 PHE^? B 400 CYH A 37 CYH~? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.19 A TRANSFORM -0.2779 0.8664 -0.4149 -0.9046 -0.0906 0.4166 0.3233 0.4911 0.8089 -37.044 45.199 -41.319 B 603 HIS A 18 HIS~? B 646 ASP A 17 ASP~? B 739 GLY A 13 GLY.? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 3 RMSD = 1.19 A TRANSFORM 0.0631 0.5377 0.8408 -0.8090 0.5208 -0.2724 -0.5844 -0.6630 0.4678 -19.506 119.430 14.010 193 ASP B 85 ASP~? 231 ASP A 107 ASP.? 294 ASP B 17 ASP~? ULMNm 3 1ddj_c13 PLASMINOGEN user 3 3 RMSD = 1.22 A TRANSFORM -0.6069 -0.5955 0.5263 -0.7663 0.6141 -0.1888 -0.2108 -0.5179 -0.8291 -20.855 41.400 31.089 B 603 HIS B 18 HIS~? B 646 ASP B 17 ASP~? B 739 GLY B 13 GLY.? ULMNm 3 2cnd_c01 NADH-DEPENDENT NITRATE REDUCTASE (CYuser 2 3 RMSD = 1.24 A TRANSFORM -0.1262 0.2057 -0.9704 -0.4000 0.8846 0.2395 0.9078 0.4185 -0.0294 39.436 12.883 -25.933 65 THR B 41 THR^? 242 CYH B 37 CYH~? 270 PHE B 63 PHE^? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.27 A TRANSFORM 0.4001 -0.6867 -0.6070 0.7776 -0.0962 0.6214 -0.4851 -0.7206 0.4954 31.560 47.120 10.176 A 603 HIS A 18 HIS~? A 646 ASP A 17 ASP~? A 739 GLY A 13 GLY.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 5 3 RMSD = 1.28 A TRANSFORM -0.2382 -0.3967 -0.8865 -0.5405 0.8125 -0.2184 0.8069 0.4272 -0.4079 65.901 35.722 72.593 A 241 ASP B 17 ASP~? A 265 GLU B 81 GLU~? A 369 ASP B 23 ASP~? ULMNm 3 1ddj_c12 PLASMINOGEN user 2 3 RMSD = 1.28 A TRANSFORM 0.8465 0.2930 0.4445 0.5230 -0.3016 -0.7972 -0.0996 0.9073 -0.4085 -24.290 90.934 -11.749 A 603 HIS B 18 HIS~? A 646 ASP B 17 ASP~? A 739 GLY B 13 GLY.? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 3 3 RMSD = 1.29 A TRANSFORM -0.9375 0.3268 -0.1198 -0.3002 -0.5850 0.7534 0.1761 0.7423 0.6466 -22.002 52.802 -11.843 A1132 ASP A 85 ASP~? A1134 ALA A 87 ALA~? A1137 ASN A 88 ASN~? ULMNm 3 1c82_c00 HYALURONATE LYASE user 2 3 RMSD = 1.30 A TRANSFORM 0.7222 0.6382 -0.2669 -0.4844 0.7420 0.4635 0.4938 -0.2055 0.8449 -15.279 -34.459 25.212 A 349 ASN A 88 ASN~? A 399 HIS A 25 HIS~? A 408 TYR A 89 TYR~? ULMNm 3 2cnd_c01 NADH-DEPENDENT NITRATE REDUCTASE (CYuser 1 3 RMSD = 1.31 A TRANSFORM -0.0081 -0.1669 0.9859 -0.8619 -0.4987 -0.0914 0.5070 -0.8505 -0.1398 -2.032 60.432 12.487 65 THR A 41 THR^? 242 CYH A 37 CYH~? 270 PHE A 63 PHE^? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 6 3 RMSD = 1.31 A TRANSFORM -0.9126 0.2499 0.3236 -0.1091 0.6140 -0.7817 -0.3941 -0.7487 -0.5330 -30.354 61.111 59.737 A1132 ASP B 85 ASP~? A1134 ALA B 87 ALA~? A1137 ASN B 88 ASN~? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 1.31 A TRANSFORM 0.3423 -0.6978 -0.6292 0.8201 -0.1050 0.5626 -0.4586 -0.7086 0.5363 29.991 46.509 72.511 C 603 HIS A 18 HIS~? C 646 ASP A 17 ASP~? C 739 GLY A 13 GLY.? ULMNm 3 1ddj_c14 PLASMINOGEN user 2 3 RMSD = 1.33 A TRANSFORM 0.8122 0.3326 0.4793 0.5755 -0.3228 -0.7514 -0.0952 0.8861 -0.4535 -28.820 87.883 53.824 C 603 HIS B 18 HIS~? C 646 ASP B 17 ASP~? C 739 GLY B 13 GLY.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 1 3 RMSD = 1.33 A TRANSFORM 0.1606 0.3762 0.9125 -0.8153 -0.4705 0.3375 0.5563 -0.7982 0.2311 -2.668 55.017 89.438 A 241 ASP A 17 ASP~? A 265 GLU A 81 GLU~? A 369 ASP A 23 ASP~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 8 3 RMSD = 1.36 A TRANSFORM -0.9733 0.1510 0.1731 -0.1891 -0.0988 -0.9770 -0.1304 -0.9836 0.1247 15.621 76.320 51.890 179 ASP A 23 ASP~? 227 GLU B 100 GLU^? 289 ASP A 17 ASP~? ULMNm 3 1cb8_c00 CHONDROITINASE AC user 1 3 RMSD = 1.36 A TRANSFORM 0.2764 -0.9136 0.2981 0.2699 0.3715 0.8883 -0.9224 -0.1651 0.3493 25.438 -19.086 47.470 A 175 ASN B 88 ASN~? A 225 HIS B 25 HIS~? A 234 TYR B 89 TYR~? ULMNm 3 1c82_c00 HYALURONATE LYASE user 4 3 RMSD = 1.38 A TRANSFORM 0.3477 -0.9078 0.2346 -0.8962 -0.3953 -0.2013 0.2755 -0.1402 -0.9510 12.629 13.687 71.251 A 349 ASN B 88 ASN~? A 399 HIS B 25 HIS~? A 408 TYR B 89 TYR~? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 4 3 RMSD = 1.39 A TRANSFORM -0.7945 -0.4264 0.4325 0.4591 -0.8878 -0.0319 0.3975 0.1732 0.9011 73.868 37.678 22.050 B 36 GLU B 104 GLU.? B 47 ASP B 66 ASP^? B 161 TYR B 39 TYR^? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 4 3 RMSD = 1.39 A TRANSFORM -0.5036 0.8570 0.1089 0.7356 0.4915 -0.4662 -0.4531 -0.1546 -0.8780 35.128 -0.432 105.700 A 36 GLU B 104 GLU.? A 47 ASP B 66 ASP^? A 161 TYR B 39 TYR^? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 6 3 RMSD = 1.40 A TRANSFORM -0.9598 0.2680 0.0832 -0.2445 -0.6535 -0.7164 -0.1377 -0.7079 0.6927 13.354 87.666 43.288 179 ASP A 23 ASP~? 227 GLU A 43 GLU^? 289 ASP A 17 ASP~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.41 A TRANSFORM -0.1734 0.4302 -0.8859 -0.1209 0.8834 0.4527 0.9774 0.1857 -0.1012 81.110 -3.271 25.330 C1050 GLN A 97 GLN^? C1091 LEU B 46 LEU^? C1133 GLU B 43 GLU^? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.42 A TRANSFORM -0.0383 -0.3967 -0.9172 -0.0964 0.9150 -0.3918 0.9946 0.0734 -0.0732 80.971 27.108 51.459 A 50 GLN A 97 GLN^? A 91 LEU B 46 LEU^? A 133 GLU B 43 GLU^? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.42 A TRANSFORM -0.1928 -0.3024 0.9335 -0.6898 -0.6348 -0.3481 0.6978 -0.7111 -0.0862 53.606 60.806 50.291 C1050 GLN B 97 GLN^? C1091 LEU A 46 LEU^? C1133 GLU A 43 GLU^? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.43 A TRANSFORM -0.4858 0.8322 -0.2673 0.8731 0.4765 -0.1033 0.0414 -0.2835 -0.9581 56.983 1.230 83.761 B 36 GLU A 104 GLU.? B 47 ASP A 66 ASP.? B 161 TYR A 39 TYR^? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.43 A TRANSFORM 0.3871 0.2999 0.8719 -0.5089 -0.7190 0.4733 0.7689 -0.6269 -0.1257 13.917 50.338 72.663 A 50 GLN B 97 GLN^? A 91 LEU A 46 LEU^? A 133 GLU A 43 GLU^? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.43 A TRANSFORM 0.2726 -0.9295 0.2483 -0.0473 0.2448 0.9684 -0.9610 -0.2758 0.0228 106.277 11.596 79.528 B 550 GLN A 97 GLN^? B 591 LEU B 46 LEU^? B 633 GLU B 43 GLU^? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.43 A TRANSFORM -0.9070 -0.4195 0.0364 0.4087 -0.8563 0.3156 -0.1012 0.3011 0.9482 72.898 16.807 44.892 A 36 GLU A 104 GLU.? A 47 ASP A 66 ASP.? A 161 TYR A 39 TYR^? ULMNm 3 1fgj_c01 HYDROXYLAMINE OXIDOREDUCTASE user 6 3 RMSD = 1.43 A TRANSFORM -0.9892 -0.1146 -0.0920 -0.1202 0.9910 0.0581 0.0845 0.0686 -0.9941 57.071 14.660 25.953 B 267 ASP B 85 ASP~? B 268 HIS B 25 HIS~? B 334 TYR B 20 TYR~? ULMNm 3 1fgj_c01 HYDROXYLAMINE OXIDOREDUCTASE user 3 3 RMSD = 1.44 A TRANSFORM -0.7372 0.5558 0.3841 -0.6144 -0.7880 -0.0389 0.2811 -0.2646 0.9225 26.829 65.127 -17.107 B 267 ASP A 85 ASP~? B 268 HIS A 25 HIS~? B 334 TYR A 20 TYR~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.44 A TRANSFORM 0.6883 0.6237 -0.3705 -0.3809 -0.1240 -0.9163 -0.6174 0.7718 0.1522 78.814 71.921 46.481 B 550 GLN B 97 GLN^? B 591 LEU A 46 LEU^? B 633 GLU A 43 GLU^? ULMNm 3 2tmd_c01 TRIMETHYLAMINE DEHYDROGENASE user 2 3 RMSD = 1.47 A TRANSFORM 0.7683 0.2927 -0.5692 -0.6165 0.5773 -0.5354 0.1720 0.7623 0.6240 44.630 20.318 -10.872 B 169 TYR B 21 TYR~? B 172 HIS B 25 HIS~? B 267 ASP B 85 ASP~? ULMNm 3 2tmd_c01 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.48 A TRANSFORM 0.5817 -0.7548 0.3030 -0.6672 -0.2298 0.7086 -0.4652 -0.6144 -0.6373 49.374 8.953 61.707 B 169 TYR A 21 TYR~? B 172 HIS A 25 HIS~? B 267 ASP A 85 ASP~? ULMNm 3 2tmd_c00 TRIMETHYLAMINE DEHYDROGENASE user 2 3 RMSD = 1.49 A TRANSFORM -0.8476 -0.0727 0.5256 -0.0523 0.9972 0.0535 -0.5280 0.0178 -0.8490 25.073 -3.577 41.280 A 169 TYR B 21 TYR~? A 172 HIS B 25 HIS~? A 267 ASP B 85 ASP~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 4 3 RMSD = 1.49 A TRANSFORM 0.9739 -0.1882 0.1271 -0.0521 -0.7300 -0.6814 0.2210 0.6570 -0.7208 -8.252 86.248 16.709 179 ASP A 17 ASP~? 227 GLU A 81 GLU~? 289 ASP A 23 ASP~? ULMNm 3 2tmd_c00 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.50 A TRANSFORM -0.7572 0.6099 -0.2340 -0.6229 -0.7820 -0.0223 -0.1965 0.1289 0.9720 27.402 47.825 -11.372 A 169 TYR A 21 TYR~? A 172 HIS A 25 HIS~? A 267 ASP A 85 ASP~?