*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 5 3 RMSD = 0.79 A TRANSFORM 0.1691 0.0297 0.9852 -0.9342 -0.3137 0.1698 0.3141 -0.9491 -0.0253 -19.120 20.059 61.552 A 44 HIS C 232 HIS~? A 45 HIS B 132 HIS~? A 261 PHE B 111 PHE^? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 7 3 RMSD = 0.81 A TRANSFORM 0.1547 0.0404 0.9871 -0.9417 -0.2961 0.1597 0.2988 -0.9543 -0.0078 10.095 33.795 54.659 A 44 HIS D 332 HIS~? A 45 HIS A 32 HIS~? A 261 PHE A 11 PHE^? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 4 3 RMSD = 0.90 A TRANSFORM 0.7976 0.4018 -0.4498 -0.2254 -0.4932 -0.8402 -0.5594 0.7716 -0.3028 44.338 75.962 31.778 A 44 HIS B 132 HIS~? A 45 HIS C 232 HIS~? A 261 PHE C 211 PHE^? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 2 3 RMSD = 0.92 A TRANSFORM 0.8107 0.3776 -0.4474 -0.2234 -0.5069 -0.8325 -0.5412 0.7749 -0.3266 23.792 50.529 30.564 A 44 HIS A 32 HIS~? A 45 HIS D 332 HIS~? A 261 PHE D 311 PHE^? ULMNm 3 1b01_d00 GENE REGULATION/DNA user 1 3 RMSD = 1.05 A TRANSFORM -0.8350 0.2177 0.5053 -0.5367 -0.1200 -0.8352 -0.1211 -0.9686 0.2171 47.566 61.999 110.659 B 4 ARG A 86 ARG^? B 6 THR A 5 THR^? B 8 THR A 7 THR.? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.06 A TRANSFORM 0.8048 0.5324 -0.2624 0.1219 0.2843 0.9509 0.5809 -0.7973 0.1639 44.105 -35.988 2.916 A 261 GLY B 150 GLY.? B 17 GLN A 79 GLN~? B 140 GLU B 148 GLU^? ULMNm 3 1b01_d00 GENE REGULATION/DNA user 2 3 RMSD = 1.13 A TRANSFORM -0.8360 0.1998 0.5111 -0.5365 -0.1020 -0.8377 -0.1152 -0.9745 0.1924 23.004 82.691 107.400 B 4 ARG B 186 ARG^? B 6 THR B 105 THR^? B 8 THR B 107 THR.? ULMNm 3 2dw7_c42 BLL6730 PROTEIN user 1 3 RMSD = 1.18 A TRANSFORM 0.1168 -0.4613 -0.8795 0.7929 0.5766 -0.1972 0.5981 -0.6743 0.4331 135.928 22.594 -11.342 K 182 LYS C 255 LYS^? K 184 LYS C 253 LYS^? K 345 ASP C 291 ASP.? ULMNm 3 1b01_d00 GENE REGULATION/DNA user 4 3 RMSD = 1.18 A TRANSFORM 0.2560 -0.6989 -0.6679 -0.7631 -0.5702 0.3041 -0.5934 0.4318 -0.6793 82.134 48.765 104.915 B 4 ARG D 386 ARG^? B 6 THR D 305 THR^? B 8 THR D 307 THR.? ULMNm 3 2dw7_c40 BLL6730 PROTEIN user 1 3 RMSD = 1.20 A TRANSFORM 0.8856 0.4340 -0.1653 0.4597 -0.7686 0.4448 0.0660 -0.4699 -0.8802 35.667 99.107 127.780 I 182 LYS C 255 LYS^? I 184 LYS C 253 LYS^? I 345 ASP C 291 ASP.? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 13 3 RMSD = 1.23 A TRANSFORM -0.2648 0.8615 -0.4332 0.8914 0.3900 0.2307 0.3677 -0.3251 -0.8713 -37.842 -47.524 218.141 B 70 ALA C 239 ALA~? B 126 LEU C 237 LEU~? B 158 GLU C 263 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 13 3 RMSD = 1.24 A TRANSFORM 0.9193 -0.1045 0.3795 -0.1864 -0.9647 0.1859 0.3467 -0.2417 -0.9063 -45.484 67.919 215.125 A 70 ALA C 239 ALA~? A 126 LEU C 237 LEU~? A 158 GLU C 263 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 13 3 RMSD = 1.24 A TRANSFORM -0.6119 -0.7897 -0.0443 -0.6680 0.5460 -0.5056 0.4234 -0.2797 -0.8617 56.821 17.472 213.176 C 70 ALA C 239 ALA~? C 126 LEU C 237 LEU~? C 158 GLU C 263 GLU~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.27 A TRANSFORM -0.2467 0.7696 -0.5889 0.3530 0.6373 0.6850 0.9025 -0.0389 -0.4288 46.114 -138.604 -145.265 A 420 ALA A 17 ALA.? B 182 GLY A 50 GLY.? B 183 GLY A 15 GLY.? ULMNm 3 1b01_d00 GENE REGULATION/DNA user 3 3 RMSD = 1.27 A TRANSFORM 0.2749 -0.6582 -0.7009 -0.7237 -0.6216 0.2998 -0.6330 0.4248 -0.6472 107.885 35.342 117.844 B 4 ARG C 286 ARG^? B 6 THR C 205 THR^? B 8 THR C 207 THR.? ULMNm 3 2dw7_c35 BLL6730 PROTEIN user 1 3 RMSD = 1.30 A TRANSFORM 0.8937 0.4281 -0.1345 -0.4361 0.7582 -0.4847 -0.1055 0.4918 0.8643 2.640 -11.482 -43.781 D 182 LYS C 255 LYS^? D 184 LYS C 253 LYS^? D 345 ASP C 291 ASP.? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 19 3 RMSD = 1.30 A TRANSFORM -0.2397 0.8484 -0.4719 0.8840 0.3917 0.2552 0.4014 -0.3560 -0.8439 -44.665 -48.878 185.217 B 70 ALA D 339 ALA~? B 126 LEU D 337 LEU~? B 158 GLU D 363 GLU~? ULMNm 3 1c54_c00 RIBONUCLEASE SA user 3 3 RMSD = 1.31 A TRANSFORM -0.1413 0.9053 0.4006 0.9655 0.2155 -0.1464 -0.2189 0.3661 -0.9045 -52.484 -30.339 13.036 A 54 GLU D 340 GLU~? A 65 ARG A 72 ARG~? A 85 HIS D 332 HIS~? ULMNm 3 2dw7_c36 BLL6730 PROTEIN user 1 3 RMSD = 1.31 A TRANSFORM -0.2232 0.9514 0.2121 0.8732 0.0984 0.4774 0.4333 0.2918 -0.8527 -82.445 10.689 159.591 E 182 LYS C 255 LYS^? E 184 LYS C 253 LYS^? E 345 ASP C 291 ASP.? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 19 3 RMSD = 1.31 A TRANSFORM 0.9017 -0.0980 0.4212 -0.2017 -0.9568 0.2093 0.3825 -0.2737 -0.8825 -44.613 71.747 181.707 A 70 ALA D 339 ALA~? A 126 LEU D 337 LEU~? A 158 GLU D 363 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 19 3 RMSD = 1.31 A TRANSFORM -0.6159 -0.7866 -0.0439 -0.6420 0.5335 -0.5506 0.4565 -0.3109 -0.8336 59.066 11.654 180.138 C 70 ALA D 339 ALA~? C 126 LEU D 337 LEU~? C 158 GLU D 363 GLU~? ULMNm 3 1b6t_c00 PHOSPHOPANTETHEINE ADENYLYLTRANSFERAuser 4 3 RMSD = 1.32 A TRANSFORM 0.4967 -0.8291 -0.2568 -0.8613 -0.4341 -0.2641 0.1075 0.3524 -0.9297 47.522 95.702 67.215 A 18 HIS D 332 HIS~? A 91 ARG A 72 ARG~? A 129 SER A 73 SER~? ULMNm 3 2dw7_c39 BLL6730 PROTEIN user 1 3 RMSD = 1.34 A TRANSFORM 0.2248 -0.9518 -0.2087 0.8577 0.2950 -0.4212 0.4625 -0.0843 0.8826 132.554 84.258 15.937 H 182 LYS C 255 LYS^? H 184 LYS C 253 LYS^? H 345 ASP C 291 ASP.? ULMNm 3 2dw7_c41 BLL6730 PROTEIN user 1 3 RMSD = 1.35 A TRANSFORM -0.9502 -0.1055 -0.2934 -0.2677 -0.2060 0.9412 -0.1597 0.9728 0.1675 65.637 19.355 -46.310 J 182 LYS C 255 LYS^? J 184 LYS C 253 LYS^? J 345 ASP C 291 ASP.? ULMNm 3 1c54_c00 RIBONUCLEASE SA user 2 3 RMSD = 1.35 A TRANSFORM 0.8975 -0.4362 0.0654 0.3305 0.7632 0.5553 -0.2922 -0.4767 0.8291 -18.571 -70.084 -37.214 A 54 GLU B 140 GLU~? A 65 ARG C 272 ARG~? A 85 HIS B 132 HIS~? ULMNm 3 2dw7_c46 BLL6730 PROTEIN user 1 3 RMSD = 1.37 A TRANSFORM 0.9764 0.0229 0.2148 0.0727 0.9017 -0.4261 -0.2035 0.4317 0.8788 23.799 -70.357 -85.351 O 182 LYS C 255 LYS^? O 184 LYS C 253 LYS^? O 345 ASP C 291 ASP.? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.37 A TRANSFORM 0.2586 0.8645 -0.4310 0.0999 0.4199 0.9021 0.9608 -0.2764 0.0222 63.694 9.908 34.767 B 550 GLN A 31 GLN~? B 591 LEU A 28 LEU~? B 633 GLU D 376 GLU~? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 2 3 RMSD = 1.38 A TRANSFORM 0.2261 0.6431 -0.7316 -0.9707 0.0864 -0.2240 -0.0809 0.7609 0.6438 26.418 34.199 -41.452 B 46 HIS D 332 HIS~? B 163 ALA A 69 ALA~? B 182 SER A 73 SER~? ULMNm 3 2dw7_c47 BLL6730 PROTEIN user 1 3 RMSD = 1.38 A TRANSFORM -0.9166 -0.3182 0.2420 -0.2722 0.0536 -0.9607 0.2928 -0.9465 -0.1357 28.576 21.599 84.419 P 182 LYS C 255 LYS^? P 184 LYS C 253 LYS^? P 345 ASP C 291 ASP.? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.39 A TRANSFORM -0.2212 -0.8956 -0.3860 -0.2399 -0.3337 0.9116 -0.9453 0.2943 -0.1410 109.571 32.580 66.928 C1050 GLN A 31 GLN~? C1091 LEU A 28 LEU~? C1133 GLU D 376 GLU~? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 2 3 RMSD = 1.39 A TRANSFORM 0.2732 -0.8525 -0.4457 -0.7401 0.1097 -0.6635 0.6145 0.5111 -0.6010 62.588 63.773 -20.261 A 10 ASP D 391 ASP.? A 186 ASN D 308 ASN.? A 260 ALA D 368 ALA~? ULMNm 3 1c54_c00 RIBONUCLEASE SA user 1 3 RMSD = 1.39 A TRANSFORM 0.8880 -0.4549 0.0670 0.3517 0.7659 0.5382 -0.2961 -0.4543 0.8402 -26.264 -54.023 -10.769 A 54 GLU A 40 GLU~? A 65 ARG D 372 ARG~? A 85 HIS A 32 HIS~? ULMNm 3 1b6t_c00 PHOSPHOPANTETHEINE ADENYLYLTRANSFERAuser 3 3 RMSD = 1.39 A TRANSFORM 0.5128 -0.8095 -0.2861 -0.8503 -0.4329 -0.2993 0.1185 0.3967 -0.9103 64.116 98.514 93.256 A 18 HIS C 232 HIS~? A 91 ARG B 172 ARG~? A 129 SER B 173 SER~? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 1 3 RMSD = 1.39 A TRANSFORM 0.2209 0.6816 -0.6976 -0.9706 0.0834 -0.2259 -0.0958 0.7270 0.6799 46.161 31.267 -65.678 B 46 HIS C 232 HIS~? B 163 ALA B 169 ALA~? B 182 SER B 173 SER~? ULMNm 3 2dw7_c34 BLL6730 PROTEIN user 1 3 RMSD = 1.40 A TRANSFORM -0.9424 -0.1072 -0.3169 0.2826 0.2516 -0.9256 0.1790 -0.9619 -0.2068 36.558 59.759 133.278 C 182 LYS C 255 LYS^? C 184 LYS C 253 LYS^? C 345 ASP C 291 ASP.? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.40 A TRANSFORM 0.3874 -0.8559 0.3427 0.6529 0.5171 0.5534 -0.6508 0.0093 0.7592 -30.454 -55.193 155.124 B 70 ALA A 39 ALA~? B 126 LEU A 37 LEU~? B 158 GLU A 63 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.40 A TRANSFORM 0.3454 0.8746 0.3403 -0.7144 0.4802 -0.5090 -0.6085 -0.0673 0.7907 -58.398 60.163 153.039 A 70 ALA A 39 ALA~? A 126 LEU A 37 LEU~? A 158 GLU A 63 GLU~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.41 A TRANSFORM -0.2578 0.7582 -0.5990 0.3247 0.6518 0.6853 0.9100 -0.0178 -0.4142 60.174 -158.211 -124.579 A 420 ALA B 117 ALA.? B 182 GLY B 150 GLY.? B 183 GLY B 115 GLY.? ULMNm 3 2dw7_c44 BLL6730 PROTEIN user 1 3 RMSD = 1.41 A TRANSFORM -0.9284 -0.3059 0.2107 0.2428 -0.0704 0.9675 -0.2812 0.9494 0.1396 -1.672 -100.667 -1.735 M 182 LYS C 255 LYS^? M 184 LYS C 253 LYS^? M 345 ASP C 291 ASP.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.41 A TRANSFORM -0.8031 -0.0187 -0.5956 -0.0015 -0.9994 0.0335 -0.5958 0.0278 0.8026 55.320 26.614 149.948 C 70 ALA A 39 ALA~? C 126 LEU A 37 LEU~? C 158 GLU A 63 GLU~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.42 A TRANSFORM 0.0578 -0.3341 -0.9408 -0.4271 -0.8600 0.2792 -0.9024 0.3856 -0.1924 71.390 76.391 87.640 A 50 GLN A 31 GLN~? A 91 LEU A 28 LEU~? A 133 GLU D 376 GLU~? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 1 3 RMSD = 1.43 A TRANSFORM -0.5172 -0.8459 -0.1301 0.7817 -0.4050 -0.4742 0.3484 -0.3469 0.8708 63.345 22.775 -16.382 I 303 TYR A 51 TYR^? I 306 VAL A 13 VAL^? I 308 VAL A 54 VAL^? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 2 3 RMSD = 1.43 A TRANSFORM -0.4863 -0.8604 -0.1522 0.8114 -0.3801 -0.4441 0.3242 -0.3394 0.8830 66.067 43.518 -39.030 I 303 TYR B 151 TYR^? I 306 VAL B 113 VAL^? I 308 VAL B 154 VAL^? ULMNm 3 2dbt_c00 CHITINASE C user 2 3 RMSD = 1.44 A TRANSFORM -0.7995 -0.4581 -0.3885 0.1257 -0.7601 0.6376 -0.5873 0.4609 0.6653 136.118 21.856 -3.397 A 147 GLU A 40 GLU~? A 156 GLU A 58 GLU.? A 194 ASN A 61 ASN~? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 3 3 RMSD = 1.45 A TRANSFORM -0.8344 -0.0377 -0.5499 -0.4024 0.7235 0.5610 0.3767 0.6893 -0.6188 66.862 -36.455 14.548 I 303 TYR C 251 TYR^? I 306 VAL C 213 VAL^? I 308 VAL C 254 VAL^? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 8 3 RMSD = 1.45 A TRANSFORM 0.4010 -0.8464 0.3505 0.6291 0.5325 0.5663 -0.6659 -0.0066 0.7460 -35.578 -68.310 126.520 B 70 ALA B 139 ALA~? B 126 LEU B 137 LEU~? B 158 GLU B 163 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 8 3 RMSD = 1.46 A TRANSFORM 0.3175 0.8825 0.3469 -0.7154 0.4630 -0.5232 -0.6224 -0.0821 0.7784 -68.397 68.758 124.006 A 70 ALA B 139 ALA~? A 126 LEU B 137 LEU~? A 158 GLU B 163 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 8 3 RMSD = 1.46 A TRANSFORM -0.7906 -0.0375 -0.6112 0.0214 -0.9992 0.0335 -0.6120 0.0134 0.7907 67.169 28.254 120.374 C 70 ALA B 139 ALA~? C 126 LEU B 137 LEU~? C 158 GLU B 163 GLU~? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 4 3 RMSD = 1.47 A TRANSFORM -0.8160 -0.0473 -0.5761 -0.4312 0.7137 0.5520 0.3851 0.6988 -0.6028 58.985 -10.881 -8.056 I 303 TYR D 351 TYR^? I 306 VAL D 313 VAL^? I 308 VAL D 354 VAL^? ULMNm 3 2dw7_c43 BLL6730 PROTEIN user 1 3 RMSD = 1.47 A TRANSFORM -0.2161 0.9616 0.1690 -0.8810 -0.1174 -0.4583 -0.4209 -0.2479 0.8726 -38.218 73.418 -79.632 L 182 LYS C 255 LYS^? L 184 LYS C 253 LYS^? L 345 ASP C 291 ASP.? ULMNm 3 2dw7_c33 BLL6730 PROTEIN user 1 3 RMSD = 1.47 A TRANSFORM 0.2344 -0.9502 -0.2055 -0.8696 -0.2994 0.3926 -0.4346 0.0866 -0.8965 99.401 3.710 69.056 B 182 LYS C 255 LYS^? B 184 LYS C 253 LYS^? B 345 ASP C 291 ASP.? ULMNm 3 1et0_c00 4-AMINO-4-DEOXYCHORISMATE LYASE user 9 3 RMSD = 1.47 A TRANSFORM -0.5518 0.7327 -0.3984 0.8175 0.5697 -0.0846 0.1650 -0.3724 -0.9133 22.136 -13.722 129.989 A 159 LYS B 175 LYS~? A 193 GLU B 188 GLU^? A 217 VAL B 187 VAL^? ULMNm 3 2dbt_c00 CHITINASE C user 28 3 RMSD = 1.48 A TRANSFORM -0.6728 0.7075 -0.2165 -0.2346 -0.4815 -0.8444 -0.7016 -0.5173 0.4900 65.385 107.991 11.176 A 147 GLU C 257 GLU.? A 156 GLU C 263 GLU~? A 194 ASN C 235 ASN~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 2 3 RMSD = 1.48 A TRANSFORM -0.4095 -0.8678 0.2814 0.1268 -0.3596 -0.9245 0.9034 -0.3429 0.2573 50.085 72.034 13.165 B 1 SER D 373 SER~? B 69 ALA D 369 ALA~? B 241 ASN A 35 ASN~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.48 A TRANSFORM 0.4586 0.7576 -0.4645 -0.7097 -0.0024 -0.7045 -0.5348 0.6528 0.5365 11.459 90.514 53.681 A 50 GLN A 31 GLN~? A 91 LEU A 28 LEU~? A 133 GLU D 376 GLU~? ULMNm 3 3hde_o02 LYSOZYME user 3 3 RMSD = 1.49 A TRANSFORM 0.7838 -0.2391 0.5731 0.0235 0.9337 0.3573 -0.6205 -0.2666 0.7375 -9.398 -69.128 -20.548 C 35 GLU C 288 GLU^? C 44 ASP C 291 ASP.? C 50 THR C 207 THR.? ULMNm 3 2dbt_c00 CHITINASE C user 12 3 RMSD = 1.49 A TRANSFORM -0.7774 -0.4656 -0.4230 0.1587 -0.7959 0.5843 -0.6087 0.3871 0.6926 143.293 9.162 -29.909 A 147 GLU B 140 GLU~? A 156 GLU B 158 GLU.? A 194 ASN B 161 ASN~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.49 A TRANSFORM -0.6686 -0.1692 0.7241 0.4763 -0.8453 0.2422 0.5711 0.5068 0.6457 -24.661 8.625 -52.651 141 ASP B 119 ASP~? 166 GLY B 150 GLY.? 169 GLU A 76 GLU~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 1 3 RMSD = 1.49 A TRANSFORM 0.5451 0.4672 0.6962 0.3583 -0.8805 0.3104 0.7580 0.0802 -0.6473 29.637 56.256 146.191 A 50 ASP B 119 ASP~? A 327 GLU D 376 GLU~? A 339 ARG D 372 ARG~? ULMNm 3 2dbt_c01 CHITINASE C user 27 3 RMSD = 1.50 A TRANSFORM 0.8812 -0.4726 0.0015 -0.1574 -0.2965 -0.9420 0.4457 0.8299 -0.3356 54.660 151.667 -8.878 B 147 GLU C 257 GLU.? B 156 GLU C 263 GLU~? B 194 ASN C 235 ASN~?