*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1ddj_c02 PLASMINOGEN user 2 4 RMSD = 1.47 A TRANSFORM 0.1531 -0.3419 -0.9272 0.9879 0.0284 0.1527 -0.0259 -0.9393 0.3421 45.678 7.763 89.111 C 603 HIS B 34 HIS~? C 646 ASP A 49 ASP~? C 739 GLY A 32 GLY~? C 741 ALA A 37 ALA~? ULMNm 4 1ddj_c02 PLASMINOGEN user 1 4 RMSD = 1.48 A TRANSFORM 0.3414 -0.1544 0.9271 -0.0269 -0.9876 -0.1546 0.9395 0.0278 -0.3413 -24.425 102.564 27.425 C 603 HIS A 34 HIS~? C 646 ASP B 49 ASP~? C 739 GLY B 32 GLY~? C 741 ALA B 37 ALA~? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 0.80 A TRANSFORM -0.7442 0.6672 0.0325 0.4835 0.5716 -0.6629 -0.4608 -0.4776 -0.7480 -20.890 15.656 41.114 B 603 HIS A 34 HIS~? B 646 ASP B 49 ASP~? B 739 GLY B 32 GLY~? ULMNm 3 1ddj_c13 PLASMINOGEN user 2 3 RMSD = 0.80 A TRANSFORM -0.6677 0.7438 -0.0307 -0.5698 -0.4842 0.6640 0.4790 0.4608 0.7471 -25.517 65.989 -81.980 B 603 HIS B 34 HIS~? B 646 ASP A 49 ASP~? B 739 GLY A 32 GLY~? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 0.94 A TRANSFORM 0.4224 -0.2276 0.8774 -0.1380 -0.9728 -0.1859 0.8959 -0.0426 -0.4423 -23.252 107.373 35.217 C 603 HIS A 34 HIS~? C 646 ASP B 49 ASP~? C 739 GLY B 32 GLY~? ULMNm 3 1ddj_c14 PLASMINOGEN user 2 3 RMSD = 0.94 A TRANSFORM 0.2258 -0.4218 -0.8781 0.9732 0.1386 0.1837 0.0442 -0.8960 0.4418 44.596 2.642 81.424 C 603 HIS B 34 HIS~? C 646 ASP A 49 ASP~? C 739 GLY A 32 GLY~? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 0.95 A TRANSFORM 0.3930 -0.2831 0.8749 -0.1194 -0.9591 -0.2567 0.9118 -0.0035 -0.4107 -17.168 109.137 -31.202 A 603 HIS A 34 HIS~? A 646 ASP B 49 ASP~? A 739 GLY B 32 GLY~? ULMNm 3 1ddj_c12 PLASMINOGEN user 2 3 RMSD = 0.95 A TRANSFORM 0.2813 -0.3924 -0.8757 0.9596 0.1198 0.2546 0.0050 -0.9119 0.4103 43.361 2.998 21.502 A 603 HIS B 34 HIS~? A 646 ASP A 49 ASP~? A 739 GLY A 32 GLY~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 0.97 A TRANSFORM -0.1556 -0.9271 -0.3410 0.3736 0.2643 -0.8891 0.9145 -0.2657 0.3052 88.938 22.766 -26.694 A 229 ALA A 37 ALA~? A 257 ALA A 40 ALA~? A 328 ASP A 47 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 5 3 RMSD = 0.97 A TRANSFORM 0.9268 0.1583 0.3407 -0.2623 -0.3766 0.8885 0.2689 -0.9127 -0.3075 -22.607 24.739 45.848 A 229 ALA B 37 ALA~? A 257 ALA B 40 ALA~? A 328 ASP B 47 ASP~? ULMNm 3 2odj_o00 PORIN D user 8 3 RMSD = 1.09 A TRANSFORM 0.7253 -0.6766 0.1272 -0.5545 -0.4645 0.6905 -0.4081 -0.5713 -0.7121 22.671 33.715 107.667 A 156 HIS B 110 HIS.? A 208 ASP B 67 ASP~? A 296 SER A 101 SER.? ULMNm 3 2odj_o00 PORIN D user 4 3 RMSD = 1.10 A TRANSFORM 0.6776 -0.7241 -0.1288 0.4634 0.5563 -0.6897 0.5711 0.4077 0.7125 34.164 -12.060 -16.714 A 156 HIS A 110 HIS.? A 208 ASP A 67 ASP~? A 296 SER B 101 SER.? ULMNm 3 3hde_o02 LYSOZYME user 1 3 RMSD = 1.21 A TRANSFORM 0.9927 -0.1048 -0.0605 0.0097 0.5668 -0.8238 0.1206 0.8171 0.5637 -3.808 -17.456 -54.142 C 35 GLU A 7 GLU~? C 44 ASP A 67 ASP~? C 50 THR A 66 THR.? ULMNm 3 3hde_o02 LYSOZYME user 2 3 RMSD = 1.21 A TRANSFORM 0.1048 -0.9928 0.0586 -0.5679 -0.0114 0.8230 -0.8164 -0.1195 -0.5650 67.746 -16.763 58.059 C 35 GLU B 7 GLU~? C 44 ASP B 67 ASP~? C 50 THR B 66 THR.? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 1 3 RMSD = 1.27 A TRANSFORM -0.5703 0.7069 -0.4184 0.6763 0.6932 0.2493 0.4662 -0.1408 -0.8734 -28.414 -18.996 33.016 A1132 ASP A 17 ASP~? A1134 ALA A 96 ALA~? A1137 ASN A 95 ASN~? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 2 3 RMSD = 1.27 A TRANSFORM -0.7108 0.5641 0.4202 -0.6885 -0.6804 -0.2512 0.1441 -0.4678 0.8720 -40.896 111.413 9.433 A1132 ASP B 17 ASP~? A1134 ALA B 96 ALA~? A1137 ASN B 95 ASN~? ULMNm 3 3hde_o01 LYSOZYME user 1 3 RMSD = 1.28 A TRANSFORM 0.0561 0.0189 -0.9982 -0.4185 0.9082 -0.0063 0.9065 0.4182 0.0589 2.698 -46.951 -76.623 B 35 GLU A 7 GLU~? B 44 ASP A 67 ASP~? B 50 THR A 66 THR.? ULMNm 3 3hde_o01 LYSOZYME user 2 3 RMSD = 1.28 A TRANSFORM -0.0201 -0.0582 0.9981 -0.9082 0.4186 0.0061 -0.4181 -0.9063 -0.0612 -49.207 -5.920 38.836 B 35 GLU B 7 GLU~? B 44 ASP B 67 ASP~? B 50 THR B 66 THR.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 3 3 RMSD = 1.31 A TRANSFORM -0.4371 0.1129 0.8923 0.4288 0.8982 0.0964 -0.7906 0.4248 -0.4410 32.245 -26.354 33.776 A 229 ALA A 40 ALA~? A 257 ALA A 37 ALA~? A 328 ASP A 49 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 7 3 RMSD = 1.32 A TRANSFORM -0.1131 0.4377 -0.8920 -0.8971 -0.4310 -0.0977 -0.4272 0.7891 0.4414 57.006 91.534 -22.779 A 229 ALA B 40 ALA~? A 257 ALA B 37 ALA~? A 328 ASP B 49 ASP~? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.33 A TRANSFORM -0.8700 0.4874 -0.0742 0.4352 0.6887 -0.5799 -0.2315 -0.5368 -0.8113 -6.799 7.785 98.933 D 603 HIS A 34 HIS~? D 646 ASP B 49 ASP~? D 739 GLY B 32 GLY~? ULMNm 3 1ddj_c15 PLASMINOGEN user 2 3 RMSD = 1.33 A TRANSFORM -0.4878 0.8697 0.0758 -0.6871 -0.4360 0.5812 0.5386 0.2314 0.8102 -43.500 68.791 -13.487 D 603 HIS B 34 HIS~? D 646 ASP A 49 ASP~? D 739 GLY A 32 GLY~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.33 A TRANSFORM -0.6599 -0.0640 -0.7487 0.2665 0.9116 -0.3129 0.7025 -0.4060 -0.5845 41.029 -20.771 17.177 141 ASP A 87 ASP~? 166 GLY B 59 GLY.? 169 GLU B 62 GLU.? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 1 3 RMSD = 1.34 A TRANSFORM 0.0045 -0.9999 0.0144 0.9075 0.0101 0.4200 -0.4201 0.0112 0.9074 53.051 8.683 20.931 B 1 SER A 92 SER~? B 69 ALA A 94 ALA~? B 241 ASN A 95 ASN~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 3 3 RMSD = 1.34 A TRANSFORM 0.9998 -0.0060 -0.0177 -0.0128 -0.9072 -0.4205 -0.0135 0.4207 -0.9071 -30.018 110.907 39.505 B 1 SER B 92 SER~? B 69 ALA B 94 ALA~? B 241 ASN B 95 ASN~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.35 A TRANSFORM 0.0646 0.6584 0.7499 -0.9097 -0.2701 0.3155 0.4103 -0.7025 0.5815 -63.906 60.523 7.946 141 ASP B 87 ASP~? 166 GLY A 59 GLY.? 169 GLU A 62 GLU.? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 2 3 RMSD = 1.39 A TRANSFORM -0.9649 0.2593 -0.0424 -0.0527 -0.3493 -0.9355 -0.2574 -0.9004 0.3507 42.098 36.460 110.683 A 14 ASP B 49 ASP~? A 16 HIS A 34 HIS~? A 67 GLY B 59 GLY.? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 1 3 RMSD = 1.39 A TRANSFORM -0.2615 0.9642 0.0441 0.3475 0.0515 0.9363 0.9005 0.2601 -0.3486 -19.939 -52.098 33.166 A 14 ASP A 49 ASP~? A 16 HIS B 34 HIS~? A 67 GLY A 59 GLY.? ULMNm 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 1.40 A TRANSFORM -0.5198 0.2294 -0.8229 0.8516 0.0623 -0.5205 -0.0682 -0.9713 -0.2278 16.474 -27.646 91.688 B 49 ASP B 49 ASP~? B 86 HIS A 34 HIS~? B 250 ALA A 37 ALA~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 8 3 RMSD = 1.40 A TRANSFORM 0.4577 0.8881 -0.0425 0.8802 -0.4459 0.1629 0.1257 -0.1120 -0.9857 -32.054 14.795 39.373 A 229 ALA B 98 ALA~? A 257 ALA B 94 ALA~? A 328 ASP B 17 ASP~? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 2 3 RMSD = 1.40 A TRANSFORM -0.9972 0.0678 0.0302 0.0520 0.3490 0.9357 0.0529 0.9347 -0.3516 47.366 -5.214 62.097 C 14 ASP B 49 ASP~? C 16 HIS A 34 HIS~? C 67 GLY B 59 GLY.? ULMNm 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.40 A TRANSFORM -0.2303 0.5177 0.8240 -0.0614 -0.8528 0.5186 0.9712 0.0688 0.2282 -56.100 19.223 -9.512 B 49 ASP A 49 ASP~? B 86 HIS B 34 HIS~? B 250 ALA B 37 ALA~? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 1 3 RMSD = 1.40 A TRANSFORM -0.0699 0.9972 -0.0281 -0.3471 -0.0507 -0.9364 -0.9352 -0.0557 0.3497 -29.384 83.262 125.195 C 14 ASP A 49 ASP~? C 16 HIS B 34 HIS~? C 67 GLY A 59 GLY.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 RMSD = 1.41 A TRANSFORM -0.8875 -0.4591 0.0395 0.4475 -0.8792 -0.1635 0.1098 -0.1274 0.9857 79.305 60.950 -17.008 A 229 ALA A 98 ALA~? A 257 ALA A 94 ALA~? A 328 ASP A 17 ASP~? ULMNm 3 1uk7_c00 3.07.01.0009 user 1 3 RMSD = 1.44 A TRANSFORM -0.3263 -0.9437 -0.0548 -0.5147 0.1288 0.8476 -0.7928 0.3048 -0.5278 60.434 35.559 31.301 A 103 ALA A 37 ALA~? A 224 ASP B 49 ASP~? A 252 HIS A 34 HIS~? ULMNm 3 1uk7_c00 3.07.01.0009 user 2 3 RMSD = 1.45 A TRANSFORM 0.9433 0.3272 0.0559 -0.1290 0.5163 -0.8466 -0.3059 0.7914 0.5292 -50.156 52.415 -40.746 A 103 ALA B 37 ALA~? A 224 ASP A 49 ASP~? A 252 HIS B 34 HIS~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 2 3 RMSD = 1.46 A TRANSFORM -0.8711 -0.4024 -0.2814 0.0796 -0.6813 0.7277 -0.4846 0.6115 0.6255 56.935 48.857 5.191 B 1 SER A 92 SER~? B 69 ALA A 96 ALA~? B 241 ASN A 95 ASN~? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.47 A TRANSFORM 0.0844 0.8921 -0.4439 -0.6666 0.3817 0.6403 0.7406 0.2419 0.6269 -58.604 4.679 -103.317 H 51 ALA A 37 ALA~? H 148 HIS A 34 HIS~? H 163 ASP B 49 ASP~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 4 3 RMSD = 1.47 A TRANSFORM 0.3978 0.8715 0.2869 0.6793 -0.0696 -0.7305 -0.6167 0.4855 -0.6197 -67.151 40.156 52.470 B 1 SER B 92 SER~? B 69 ALA B 96 ALA~? B 241 ASN B 95 ASN~? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.47 A TRANSFORM -0.8922 -0.0863 0.4432 -0.3820 0.6678 -0.6389 -0.2408 -0.7393 -0.6288 -1.931 17.956 16.336 H 51 ALA B 37 ALA~? H 148 HIS B 34 HIS~? H 163 ASP A 49 ASP~? ULMNm 3 2tmd_c02 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.49 A TRANSFORM -0.0710 -0.4805 0.8741 0.7057 -0.6435 -0.2965 0.7050 0.5958 0.3848 34.920 38.619 -53.784 A 169 TYR A 10 TYR~? A 172 HIS A 97 HIS~? A 174 TYR A 109 TYR.? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 1.49 A TRANSFORM 0.5051 -0.2487 0.8265 0.8479 -0.0357 -0.5289 0.1611 0.9679 0.1928 -77.109 9.727 -33.636 E 49 ASP B 49 ASP~? E 86 HIS A 34 HIS~? E 250 ALA A 37 ALA~? ULMNm 3 2tmd_c02 TRIMETHYLAMINE DEHYDROGENASE user 3 3 RMSD = 1.50 A TRANSFORM 0.4794 0.0722 -0.8746 0.6440 -0.7060 0.2947 -0.5962 -0.7046 -0.3849 39.460 26.586 78.605 A 169 TYR B 10 TYR~? A 172 HIS B 97 HIS~? A 174 TYR B 109 TYR.? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.50 A TRANSFORM 0.2498 -0.5026 -0.8276 0.0372 -0.8491 0.5269 -0.9676 -0.1623 -0.1934 -7.225 47.491 73.111 E 49 ASP A 49 ASP~? E 86 HIS B 34 HIS~? E 250 ALA B 37 ALA~? ULMNm 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 1.50 A TRANSFORM 0.8432 -0.0037 -0.5376 0.5103 -0.3093 0.8025 -0.1692 -0.9510 -0.2589 36.318 -46.661 60.901 C 49 ASP B 49 ASP~? C 86 HIS A 34 HIS~? C 250 ALA A 37 ALA~?