*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1eag_c03 PEPTIDE INHIBITOR user 1 4 RMSD = 1.21 A TRANSFORM 0.0494 -0.4953 0.8673 0.9817 -0.1358 -0.1334 0.1838 0.8580 0.4796 72.500 22.501 -17.028 A 32 ASP A 63 ASP^? A 33 THR A 113 THR.? A 218 ASP A 65 ASP.? A 219 SER A 66 SER.? ULMNm 4 1sme_c02 PLASMEPSIN II user 1 4 RMSD = 1.27 A TRANSFORM 0.9260 0.2021 -0.3189 -0.2152 -0.4117 -0.8855 -0.3102 0.8886 -0.3378 38.549 66.710 -13.783 A 34 ASP A 63 ASP^? A 35 THR A 113 THR.? A 214 ASP A 65 ASP.? A 215 SER A 66 SER.? ULMNm 3 1uk7_c00 3.07.01.0009 user 1 3 RMSD = 0.75 A TRANSFORM -0.1962 -0.7169 -0.6690 -0.3977 -0.5655 0.7225 -0.8963 0.4078 -0.1741 32.126 62.213 -5.930 A 103 ALA A 59 ALA^? A 224 ASP A 98 ASP^? A 252 HIS A 57 HIS^? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 2 3 RMSD = 0.85 A TRANSFORM 0.9991 0.0378 -0.0182 -0.0165 -0.0462 -0.9988 -0.0386 0.9982 -0.0455 -27.013 48.164 61.522 B 34 SER A 51 SER.? B 37 ASN A 16 ASN.? B 45 THR A 20 THR.? ULMNm 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 1 3 RMSD = 1.06 A TRANSFORM -0.3219 0.9365 -0.1392 0.8156 0.3490 0.4616 0.4809 0.0350 -0.8761 -7.432 -14.181 0.642 A 105 ALA A 59 ALA^? A 244 ASP A 98 ASP^? A 271 HIS A 57 HIS^? ULMNm 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.08 A TRANSFORM -0.6590 0.5951 -0.4600 0.7493 0.5722 -0.3332 0.0650 -0.5643 -0.8230 -28.101 -28.388 61.198 B 49 ASP A 98 ASP^? B 86 HIS A 57 HIS^? B 250 ALA A 59 ALA^? ULMNm 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.10 A TRANSFORM 0.7569 0.5175 -0.3991 0.6512 -0.6492 0.3930 -0.0557 -0.5574 -0.8284 33.705 -4.448 27.275 C 49 ASP A 98 ASP^? C 86 HIS A 57 HIS^? C 250 ALA A 59 ALA^? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.11 A TRANSFORM 0.9978 -0.0622 0.0241 0.0655 0.8485 -0.5251 0.0122 0.5255 0.8507 7.812 -44.996 5.608 A 49 ASP A 98 ASP^? A 86 HIS A 57 HIS^? A 250 ALA A 59 ALA^? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.11 A TRANSFORM 0.9978 -0.0622 0.0241 0.0655 0.8485 -0.5251 0.0122 0.5255 0.8507 7.812 -44.996 5.608 A 49 ASP A 98 ASP^? A 86 HIS A 57 HIS^? A 250 ALA A 59 ALA^? ULMNm 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.11 A TRANSFORM 0.1068 0.8417 -0.5293 -0.9943 0.0871 -0.0620 -0.0061 0.5329 0.8461 16.175 -43.700 -28.155 D 49 ASP A 98 ASP^? D 86 HIS A 57 HIS^? D 250 ALA A 59 ALA^? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.17 A TRANSFORM -0.9928 0.0674 -0.0991 0.1086 0.8556 -0.5062 0.0507 -0.5133 -0.8567 -70.419 -9.212 54.180 F 49 ASP A 98 ASP^? F 86 HIS A 57 HIS^? F 250 ALA A 59 ALA^? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.18 A TRANSFORM 0.6431 -0.6112 0.4613 0.7657 0.5068 -0.3960 0.0082 0.6079 0.7940 -33.166 6.532 -2.364 E 49 ASP A 98 ASP^? E 86 HIS A 57 HIS^? E 250 ALA A 59 ALA^? ULMNm 3 3hde_o00 LYSOZYME user 1 3 RMSD = 1.30 A TRANSFORM 0.4148 0.7425 0.5259 -0.6498 0.6463 -0.4000 -0.6369 -0.1758 0.7506 -26.303 -31.789 -11.810 A 35 GLU A 96 GLU^? A 44 ASP A 118 ASP^? A 50 THR A 119 THR^? ULMNm 3 1wbf_p00 PROTEIN (AGGLUTININ) user 2 3 RMSD = 1.30 A TRANSFORM 0.0373 -0.9502 -0.3095 -0.9443 0.0678 -0.3220 0.3270 0.3043 -0.8947 1.679 -5.574 26.695 A 44 ASN A 32 ASN.? A 213 PRO A 28 PRO^? A 219 ASN A 49 ASN^? ULMNm 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 2 3 RMSD = 1.37 A TRANSFORM 0.7114 -0.7006 0.0557 0.3350 0.4077 0.8494 -0.6178 -0.5856 0.5248 -10.316 47.526 44.979 A 104 ILE A 56 ILE^? A 106 HIS A 57 HIS^? A 142 ASP A 98 ASP^? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 3 3 RMSD = 1.39 A TRANSFORM 0.5520 -0.7906 -0.2651 -0.1239 -0.3922 0.9115 -0.8246 -0.4703 -0.3144 -12.775 40.788 84.695 B 34 SER A 51 SER.? B 37 ASN A 49 ASN^? B 45 THR A 26 THR^? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.42 A TRANSFORM 0.5850 0.1151 -0.8028 0.0981 0.9726 0.2109 0.8051 -0.2021 0.5577 -35.664 -46.921 18.697 C 51 ALA A 59 ALA^? C 148 HIS A 57 HIS^? C 163 ASP A 98 ASP^? ULMNm 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 3 3 RMSD = 1.44 A TRANSFORM 0.6772 0.0097 0.7357 0.5825 0.6038 -0.5442 -0.4495 0.7971 0.4033 -16.998 -9.477 18.370 54 ASP A 98 ASP^? 158 THR A 75 THR^? 317 ASP A 118 ASP^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.46 A TRANSFORM -0.5221 0.6596 0.5407 0.8202 0.2143 0.5305 0.2340 0.7204 -0.6529 7.390 23.371 26.491 A 316 ALA A 38 ALA^? A 317 GLY A 23 GLY.? A 318 ASP A 39 ASP^? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.47 A TRANSFORM -0.0374 0.9698 0.2412 -0.6170 -0.2123 0.7578 0.7861 -0.1205 0.6063 -60.271 21.577 -51.878 H 51 ALA A 59 ALA^? H 148 HIS A 57 HIS^? H 163 ASP A 98 ASP^? ULMNm 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.48 A TRANSFORM 0.7520 -0.6530 0.0894 -0.0410 -0.1817 -0.9825 0.6579 0.7352 -0.1634 32.953 49.605 21.946 A 107 ASP A 98 ASP^? A 246 ASP A 118 ASP^? A 275 HIS A 57 HIS^? ULMNm 3 1emh_d00 HYDROLASE/DNA user 2 3 RMSD = 1.49 A TRANSFORM -0.9479 -0.1085 0.2996 -0.2461 -0.3480 -0.9046 0.2024 -0.9312 0.3032 22.797 13.578 25.272 A 271 PRO A 101 PRO.? A 272 LEU A 54 LEU^? A 276 ARG A 123 ARG^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.50 A TRANSFORM 0.9534 -0.0791 0.2913 -0.0486 -0.9927 -0.1105 0.2979 0.0912 -0.9502 -0.134 36.052 8.524 141 ASP A 73 ASP.? 166 GLY A 23 GLY.? 169 GLU A 41 GLU.?