*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 0.96 A TRANSFORM 0.2714 -0.9159 0.2959 0.9408 0.3174 0.1193 -0.2031 0.2460 0.9478 -4.184 -15.897 25.929 A 107 ASP A 73 ASP^? A 246 ASP A 35 ASP.? A 275 HIS A 32 HIS^? ULMNm 3 3cla_c00 TYPE III CHLORAMPHENICOL ACETYLTRANSuser 2 3 RMSD = 0.97 A TRANSFORM -0.5781 0.6402 0.5059 0.7869 0.2732 0.5534 0.2160 0.7180 -0.6617 47.746 -45.508 35.781 18 ARG A 54 ARG^? 195 HIS A 106 HIS~? 199 ASP A 47 ASP^? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.02 A TRANSFORM 0.3818 0.2070 0.9008 0.1037 -0.9780 0.1808 0.9184 0.0243 -0.3949 -68.788 -43.463 -56.477 G 51 ALA A 107 ALA~? G 148 HIS A 106 HIS~? G 163 ASP A 47 ASP^? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.06 A TRANSFORM 0.3442 0.2036 0.9166 -0.1882 0.9714 -0.1451 -0.9198 -0.1225 0.3727 -67.870 44.733 -7.144 H 51 ALA A 107 ALA~? H 148 HIS A 106 HIS~? H 163 ASP A 47 ASP^? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.06 A TRANSFORM 0.3469 -0.8085 0.4754 0.1033 -0.4708 -0.8761 0.9322 0.3530 -0.0798 -81.371 22.166 12.201 B 51 ALA A 107 ALA~? B 148 HIS A 106 HIS~? B 163 ASP A 47 ASP^? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.06 A TRANSFORM 0.1968 -0.9778 0.0724 0.2794 0.1267 0.9518 -0.9398 -0.1670 0.2981 -60.867 -51.986 63.067 C 51 ALA A 107 ALA~? C 148 HIS A 106 HIS~? C 163 ASP A 47 ASP^? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.08 A TRANSFORM -0.2023 0.9723 -0.1169 0.3026 0.1756 0.9368 0.9314 0.1541 -0.3298 29.434 -51.861 14.393 D 51 ALA A 107 ALA~? D 148 HIS A 106 HIS~? D 163 ASP A 47 ASP^? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.09 A TRANSFORM 0.0318 -0.5083 -0.8606 -0.4745 0.7501 -0.4607 0.8797 0.4230 -0.2173 10.477 68.366 -48.761 F 51 ALA A 107 ALA~? F 148 HIS A 106 HIS~? F 163 ASP A 47 ASP^? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.10 A TRANSFORM 0.0313 -0.4877 -0.8725 0.4693 -0.7635 0.4436 -0.8825 -0.4233 0.2050 11.418 -68.444 -13.007 E 51 ALA A 107 ALA~? E 148 HIS A 106 HIS~? E 163 ASP A 47 ASP^? ULMNm 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 3 3 RMSD = 1.10 A TRANSFORM 0.3176 -0.8105 0.4922 0.9317 0.3633 -0.0030 -0.1763 0.4595 0.8705 -22.090 -34.793 18.494 159 ARG A 80 ARG^? 229 SER A 25 SER.? 325 GLU A 24 GLU.? ULMNm 3 1ldm_c01 M4 LACTATE DEHYDROGENASE user 2 3 RMSD = 1.11 A TRANSFORM 0.6302 0.5701 -0.5271 0.7716 -0.5352 0.3437 -0.0861 -0.6233 -0.7772 11.985 -38.575 12.716 166 ASP A 47 ASP^? 169 ARG A 54 ARG^? 193 HIS A 106 HIS~? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.11 A TRANSFORM -0.3282 0.8080 -0.4893 0.0375 -0.5064 -0.8615 -0.9439 -0.3011 0.1359 48.217 24.038 64.478 A 51 ALA A 107 ALA~? A 148 HIS A 106 HIS~? A 163 ASP A 47 ASP^? ULMNm 3 4mdh_c02 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 2 3 RMSD = 1.15 A TRANSFORM -0.1474 0.1186 0.9819 0.7456 -0.6390 0.1891 0.6499 0.7600 0.0058 6.937 -25.182 40.424 A 158 ASP A 47 ASP^? A 161 ARG A 54 ARG^? A 186 HIS A 106 HIS~? ULMNm 3 3hde_o01 LYSOZYME user 1 3 RMSD = 1.15 A TRANSFORM 0.9584 -0.0646 -0.2780 -0.1916 -0.8674 -0.4592 -0.2115 0.4934 -0.8437 -53.019 -16.487 16.245 B 35 GLU A 102 GLU~? B 44 ASP A 108 ASP~? B 50 THR A 109 THR.? ULMNm 3 1emd_c01 MALATE DEHYDROGENASE (E.C.1.1.1.37) user 2 3 RMSD = 1.15 A TRANSFORM -0.0678 -0.4318 -0.8994 -0.4364 0.8235 -0.3625 0.8972 0.3679 -0.2443 21.129 46.660 -12.436 150 ASP A 47 ASP^? 153 ARG A 54 ARG^? 177 HIS A 106 HIS~? ULMNm 3 1b6t_c01 PHOSPHOPANTETHEINE ADENYLYLTRANSFERAuser 1 3 RMSD = 1.16 A TRANSFORM 0.0085 0.9272 0.3744 0.2859 -0.3610 0.8877 0.9582 0.0995 -0.2681 32.295 -24.523 0.195 B 18 HIS A 106 HIS~? B 91 ARG A 54 ARG^? B 129 SER A 49 SER.? ULMNm 3 3hde_o02 LYSOZYME user 1 3 RMSD = 1.18 A TRANSFORM 0.0339 0.8602 -0.5089 0.6536 -0.4043 -0.6398 -0.7560 -0.3109 -0.5760 53.038 -29.523 42.471 C 35 GLU A 102 GLU~? C 44 ASP A 108 ASP~? C 50 THR A 109 THR.? ULMNm 3 1b6t_c00 PHOSPHOPANTETHEINE ADENYLYLTRANSFERAuser 1 3 RMSD = 1.23 A TRANSFORM -0.9424 -0.2301 0.2426 -0.3190 0.4011 -0.8587 0.1003 -0.8866 -0.4515 61.540 90.492 32.570 A 18 HIS A 106 HIS~? A 91 ARG A 54 ARG^? A 129 SER A 49 SER.? ULMNm 3 3hde_o00 LYSOZYME user 1 3 RMSD = 1.23 A TRANSFORM 0.0253 -0.8978 0.4397 0.7331 0.3157 0.6025 -0.6797 0.3071 0.6661 -35.467 -64.143 5.539 A 35 GLU A 102 GLU~? A 44 ASP A 108 ASP~? A 50 THR A 109 THR.? ULMNm 3 1sll_c00 SIALIDASE L user 2 3 RMSD = 1.24 A TRANSFORM -0.9630 -0.0408 -0.2664 0.1537 -0.8951 -0.4186 -0.2213 -0.4441 0.8682 60.509 -5.184 14.638 318 ASP A 127 ASP^? 595 GLU A 103 GLU~? 713 TYR A 56 TYR^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 1 3 RMSD = 1.28 A TRANSFORM -0.5064 0.6702 0.5426 0.8133 0.5804 0.0421 -0.2867 0.4626 -0.8389 24.832 -38.662 36.318 14 ASP A 108 ASP~? 16 HIS A 106 HIS~? 67 GLY A 93 GLY^? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 1 3 RMSD = 1.31 A TRANSFORM -0.7867 0.6120 -0.0806 0.3188 0.5147 0.7959 0.5286 0.6005 -0.6000 113.116 9.929 56.401 B 36 GLU A 103 GLU~? B 47 ASP A 127 ASP^? B 161 TYR A 56 TYR^? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 1 3 RMSD = 1.31 A TRANSFORM -0.3570 -0.4344 -0.8269 0.7341 -0.6779 0.0392 -0.5776 -0.5931 0.5609 67.551 -38.645 74.423 A 36 GLU A 103 GLU~? A 47 ASP A 127 ASP^? A 161 TYR A 56 TYR^? ULMNm 3 4mdh_c03 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 2 3 RMSD = 1.32 A TRANSFORM 0.4240 -0.3875 -0.8186 0.5211 -0.6348 0.5705 -0.7407 -0.6684 -0.0672 34.095 -32.737 53.375 B 158 ASP A 47 ASP^? B 161 ARG A 54 ARG^? B 186 HIS A 106 HIS~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.33 A TRANSFORM 0.9594 0.0053 0.2821 -0.0224 -0.9953 0.0946 0.2813 -0.0971 -0.9547 -67.546 2.572 18.864 141 ASP A 36 ASP^? 166 GLY A 93 GLY^? 169 GLU A 130 GLU^? ULMNm 3 1qe3_c00 PARA-NITROBENZYL ESTERASE user 1 3 RMSD = 1.38 A TRANSFORM -0.0096 -0.7671 0.6415 0.2988 -0.6144 -0.7302 0.9543 0.1847 0.2351 -27.753 27.826 11.118 A 189 SER A 49 SER.? A 310 GLU A 103 GLU~? A 399 HIS A 106 HIS~? ULMNm 3 1euu_c00 SIALIDASE user 2 3 RMSD = 1.39 A TRANSFORM -0.5310 0.8257 -0.1906 -0.5258 -0.4974 -0.6901 -0.6646 -0.2662 0.6982 53.334 21.613 34.087 92 ASP A 127 ASP^? 260 GLU A 103 GLU~? 370 TYR A 56 TYR^? ULMNm 3 1thg_c00 LIPASE (E.C.3.1.1.3) TRIACYLGLYCEROLuser 1 3 RMSD = 1.40 A TRANSFORM -0.8803 0.2523 -0.4018 -0.1451 0.6631 0.7343 0.4518 0.7047 -0.5471 102.981 17.854 9.818 217 SER A 49 SER.? 354 GLU A 103 GLU~? 463 HIS A 106 HIS~? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.42 A TRANSFORM -0.5677 -0.1639 -0.8068 0.7440 -0.5216 -0.4175 -0.3524 -0.8373 0.4180 170.768 48.602 133.422 B1198 GLY A 133 GLY^? B1228 SER A 17 SER~? B1549 ASP A 13 ASP~? ULMNm 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.42 A TRANSFORM 0.7399 -0.0755 -0.6685 0.0346 -0.9881 0.1498 -0.6719 -0.1340 -0.7285 -34.219 21.097 175.441 D 1 ALA A 95 ALA^? D 74 ASN A 94 ASN^? D 75 GLY A 93 GLY^? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.42 A TRANSFORM -0.4453 0.8908 0.0905 0.6665 0.3973 -0.6308 -0.5979 -0.2206 -0.7706 73.811 3.648 82.460 B 1 ALA A 95 ALA^? B 74 ASN A 94 ASN^? B 75 GLY A 93 GLY^? ULMNm 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 3 3 RMSD = 1.44 A TRANSFORM -0.0490 -0.9284 0.3685 0.9866 -0.1025 -0.1270 0.1556 0.3573 0.9209 11.232 -12.336 7.214 A 107 ASP A 73 ASP^? A 246 ASP A 36 ASP^? A 275 HIS A 32 HIS^? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.44 A TRANSFORM -0.9685 0.2415 0.0604 0.2248 0.7441 0.6292 0.1071 0.6229 -0.7749 53.839 40.577 150.539 A 1 ALA A 95 ALA^? A 74 ASN A 94 ASN^? A 75 GLY A 93 GLY^? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 1 3 RMSD = 1.47 A TRANSFORM 0.5739 -0.4170 -0.7048 -0.3881 -0.8963 0.2143 -0.7211 0.1505 -0.6763 3.819 32.866 65.498 I 303 TYR A 56 TYR^? I 306 VAL A 55 VAL^? I 308 VAL A 128 VAL^? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.47 A TRANSFORM 0.2278 -0.6959 -0.6810 -0.9737 -0.1565 -0.1658 0.0088 0.7009 -0.7132 15.375 72.564 69.015 C 1 ALA A 95 ALA^? C 74 ASN A 94 ASN^? C 75 GLY A 93 GLY^? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 1 3 RMSD = 1.47 A TRANSFORM 0.4878 -0.8305 0.2689 0.4686 -0.0108 -0.8833 0.7365 0.5569 0.3839 -20.230 -2.221 -27.379 B 46 HIS A 106 HIS~? B 163 ALA A 50 ALA.? B 182 SER A 49 SER.? ULMNm 3 2ace_c00 ACETYLCHOLINESTERASE user 1 3 RMSD = 1.47 A TRANSFORM 0.5788 0.0384 0.8146 -0.1792 -0.9685 0.1730 0.7956 -0.2461 -0.5537 -36.403 47.356 29.436 200 SER A 49 SER.? 327 GLU A 103 GLU~? 440 HIS A 106 HIS~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.48 A TRANSFORM 0.3442 -0.9387 -0.0179 0.9389 0.3441 0.0120 -0.0051 -0.0210 0.9998 -34.687 -33.549 -28.551 141 ASP A 100 ASP~? 166 GLY A 93 GLY^? 169 GLU A 130 GLU^?