*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 0.90 A TRANSFORM -0.7609 0.3191 -0.5650 0.3332 -0.5551 -0.7621 0.5568 0.7681 -0.3160 -19.434 7.015 19.353 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 = 1.00 A TRANSFORM 0.3086 -0.5426 -0.7812 0.8012 -0.2943 0.5210 0.5126 0.7867 -0.3439 67.650 -15.813 -15.761 C 49 ASP A 98 ASP^? C 86 HIS A 57 HIS^? C 250 ALA A 59 ALA^? ULMNm 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.02 A TRANSFORM -0.3179 -0.2236 -0.9214 -0.7897 0.6002 0.1268 -0.5247 -0.7679 0.3674 49.985 -59.983 13.132 D 49 ASP A 98 ASP^? D 86 HIS A 57 HIS^? D 250 ALA A 59 ALA^? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.04 A TRANSFORM 0.7551 -0.6299 -0.1816 -0.3809 -0.1961 -0.9036 -0.5336 -0.7515 0.3880 26.027 -11.485 46.576 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 = 1.04 A TRANSFORM 0.7551 -0.6299 -0.1816 -0.3809 -0.1961 -0.9036 -0.5336 -0.7515 0.3880 26.027 -11.485 46.576 A 49 ASP A 98 ASP^? A 86 HIS A 57 HIS^? A 250 ALA A 59 ALA^? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.07 A TRANSFORM 0.7534 -0.3542 0.5540 0.3133 -0.5473 -0.7761 -0.5781 -0.7583 0.3014 -41.415 40.369 41.487 E 49 ASP A 98 ASP^? E 86 HIS A 57 HIS^? E 250 ALA A 59 ALA^? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.10 A TRANSFORM -0.7104 0.6936 0.1194 -0.3869 -0.2431 -0.8895 0.5880 0.6781 -0.4410 -90.670 26.316 15.654 F 49 ASP A 98 ASP^? F 86 HIS A 57 HIS^? F 250 ALA A 59 ALA^? ULMNm 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 1 3 RMSD = 1.10 A TRANSFORM -0.8458 -0.4698 -0.2528 -0.5293 0.7982 0.2877 -0.0666 -0.3772 0.9237 6.394 51.821 30.430 A 104 ILE A 55 ILE^? A 106 HIS A 57 HIS^? A 142 ASP A 98 ASP^? ULMNm 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 1 3 RMSD = 1.13 A TRANSFORM -0.7865 -0.2098 -0.5809 0.2861 -0.9573 -0.0417 0.5473 0.1990 -0.8129 29.101 27.451 -4.584 A 105 ALA A 59 ALA^? A 244 ASP A 98 ASP^? A 271 HIS A 57 HIS^? ULMNm 3 1uk7_c00 3.07.01.0009 user 1 3 RMSD = 1.15 A TRANSFORM 0.3388 0.9408 -0.0120 -0.1892 0.0806 0.9786 -0.9217 0.3293 -0.2053 -19.046 42.270 -3.504 A 103 ALA A 59 ALA^? A 224 ASP A 98 ASP^? A 252 HIS A 57 HIS^? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.16 A TRANSFORM -0.5795 -0.7239 -0.3745 -0.5474 0.0053 0.8369 0.6038 -0.6899 0.3993 -8.207 14.889 -34.372 H 51 ALA A 59 ALA^? H 148 HIS A 57 HIS^? H 163 ASP A 98 ASP^? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 2 3 RMSD = 1.21 A TRANSFORM 0.7067 0.1163 -0.6979 0.7019 -0.2390 0.6710 0.0888 0.9640 0.2505 -21.036 33.481 58.918 B 34 SER A 51 SER.? B 37 ASN A 16 ASN.? B 45 THR A 20 THR.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.22 A TRANSFORM -0.4701 0.6618 0.5840 -0.6784 0.1524 -0.7187 0.5646 0.7341 -0.3773 7.634 16.339 28.042 A 316 ALA A 38 ALA^? A 317 GLY A 23 GLY.? A 318 ASP A 39 ASP^? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.23 A TRANSFORM 0.5644 0.0561 -0.8236 -0.5086 -0.7622 -0.4005 0.6503 -0.6449 0.4016 -33.832 6.996 32.458 C 51 ALA A 59 ALA^? C 148 HIS A 57 HIS^? C 163 ASP A 98 ASP^? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.23 A TRANSFORM -0.5373 -0.0041 0.8434 -0.5631 -0.7427 -0.3623 -0.6279 0.6696 -0.3968 -0.449 6.979 43.251 D 51 ALA A 59 ALA^? D 148 HIS A 57 HIS^? D 163 ASP A 98 ASP^? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.24 A TRANSFORM 0.5691 0.8185 -0.0781 0.1403 -0.1903 -0.9717 0.8102 -0.5420 0.2231 -22.870 -12.201 -41.168 E 51 ALA A 59 ALA^? E 148 HIS A 57 HIS^? E 163 ASP A 98 ASP^? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.26 A TRANSFORM -0.2405 0.2877 0.9270 0.5730 0.8130 -0.1037 0.7835 -0.5062 0.3604 -3.910 -9.114 28.030 A 51 ALA A 59 ALA^? A 148 HIS A 57 HIS^? A 163 ASP A 98 ASP^? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.29 A TRANSFORM 0.5700 0.8156 -0.1000 -0.1155 0.2000 0.9730 -0.8135 0.5430 -0.2082 -22.942 11.223 -21.029 F 51 ALA A 59 ALA^? F 148 HIS A 57 HIS^? F 163 ASP A 98 ASP^? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.31 A TRANSFORM -0.6234 -0.6855 -0.3760 0.5909 -0.0982 -0.8008 -0.5121 0.7214 -0.4662 -8.050 -15.282 -29.395 G 51 ALA A 59 ALA^? G 148 HIS A 57 HIS^? G 163 ASP A 98 ASP^? ULMNm 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 2 3 RMSD = 1.33 A TRANSFORM -0.9356 0.2940 -0.1957 0.0202 0.5978 0.8014 -0.3526 -0.7458 0.5653 -11.630 47.275 45.190 A 104 ILE A 56 ILE^? A 106 HIS A 57 HIS^? A 142 ASP A 98 ASP^? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.35 A TRANSFORM 0.6159 0.7627 -0.1977 -0.4876 0.1719 -0.8560 0.6189 -0.6235 -0.4777 -10.704 2.033 151.303 C 70 ALA A 125 ALA.? C 126 LEU A 54 LEU^? C 158 GLU A 53 GLU.? ULMNm 3 3b21_o00 SHIGELLA FLEXNERI EFFECTOR OSPI user 1 3 RMSD = 1.38 A TRANSFORM 0.2240 -0.2505 0.9418 0.5003 -0.7998 -0.3317 -0.8364 -0.5455 0.0538 14.675 37.484 20.043 A 62 CYH A 95 CYH^? A 145 HIS A 57 HIS^? A 160 ASP A 98 ASP^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.39 A TRANSFORM 0.1566 -0.9866 0.0462 -0.7525 -0.0889 0.6526 0.6397 0.1369 0.7563 168.850 14.635 -4.292 A 316 ALA A 38 ALA^? A 317 GLY A 23 GLY.? A 318 ASP A 39 ASP^? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.39 A TRANSFORM 0.1688 -0.5854 0.7930 0.7944 0.5570 0.2421 0.5834 -0.5891 -0.5591 -4.221 15.080 150.761 A 70 ALA A 125 ALA.? A 126 LEU A 54 LEU^? A 158 GLU A 53 GLU.? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.40 A TRANSFORM -0.7174 -0.2429 -0.6530 -0.2450 -0.7895 0.5628 0.6522 -0.5637 -0.5069 -18.775 14.224 151.407 B 70 ALA A 125 ALA.? B 126 LEU A 54 LEU^? B 158 GLU A 53 GLU.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.40 A TRANSFORM 0.8006 0.5421 0.2551 -0.3617 0.0979 0.9272 -0.4777 0.8346 -0.2744 8.094 -28.480 -71.058 B 250 ALA A 38 ALA^? B 251 GLY A 23 GLY.? B 252 ASP A 39 ASP^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.41 A TRANSFORM 0.6622 -0.2494 -0.7066 -0.6866 -0.5796 -0.4389 0.3001 -0.7758 0.5551 37.926 -6.163 15.884 A 250 ALA A 38 ALA^? A 251 GLY A 23 GLY.? A 252 ASP A 39 ASP^? ULMNm 3 1wbf_p00 PROTEIN (AGGLUTININ) user 2 3 RMSD = 1.42 A TRANSFORM 0.3706 -0.7259 -0.5794 -0.3393 0.4749 -0.8120 -0.8646 -0.4975 0.0703 -2.461 -13.089 41.495 A 44 ASN A 32 ASN.? A 213 PRO A 28 PRO^? A 219 ASN A 49 ASN^? ULMNm 3 1stc_c03 CAMP-DEPENDENT PROTEIN KINASE user 2 3 RMSD = 1.44 A TRANSFORM -0.5418 0.5136 0.6653 0.3555 -0.5772 0.7351 -0.7616 -0.6348 -0.1301 -2.497 17.751 31.796 E 166 ASP A 50 ASP.? E 168 LYS A 52 LYS.? E 171 ASN A 16 ASN.? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 1 3 RMSD = 1.47 A TRANSFORM -0.4647 -0.7709 0.4356 -0.7324 0.0582 -0.6784 -0.4977 0.6343 0.5917 -6.733 16.085 -36.454 B 114 HIS A 57 HIS^? B 197 ASP A 118 ASP^? B 223 ALA A 76 ALA^? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 1 3 RMSD = 1.47 A TRANSFORM 0.4587 0.7796 -0.4263 0.8025 -0.1574 0.5756 -0.3816 0.6061 0.6979 -87.313 -16.699 -38.553 A 114 HIS A 57 HIS^? A 197 ASP A 118 ASP^? A 223 ALA A 76 ALA^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.50 A TRANSFORM 0.9454 -0.0882 0.3138 0.1209 -0.7990 -0.5890 -0.3026 -0.5948 0.7448 -0.098 35.278 11.267 141 ASP A 73 ASP.? 166 GLY A 23 GLY.? 169 GLU A 41 GLU.?