*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 16 3 RMSD = 0.86 A TRANSFORM 0.1323 0.8545 -0.5023 -0.1757 -0.4785 -0.8603 -0.9755 0.2021 0.0868 48.065 89.526 -3.109 A 229 ALA B 61 ALA~? A 257 ALA B 64 ALA~? A 328 ASP B 27 ASP.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 5 3 RMSD = 0.90 A TRANSFORM -0.1279 0.8507 0.5098 0.2041 -0.4805 0.8529 0.9706 0.2131 -0.1122 -13.443 -18.761 -0.362 A 229 ALA A 61 ALA~? A 257 ALA A 64 ALA~? A 328 ASP A 27 ASP.? ULMNm 3 2odj_o00 PORIN D user 1 3 RMSD = 1.10 A TRANSFORM 0.4652 0.0356 0.8845 0.2427 0.9558 -0.1661 -0.8513 0.2919 0.4360 -34.111 -2.810 20.970 A 156 HIS A 45 HIS.? A 208 ASP A 4 ASP~? A 296 SER B 73 SER~? ULMNm 3 2xmz_o00 HYDROLASE, ALPHA/BETA HYDROLASE FOLDuser 1 3 RMSD = 1.11 A TRANSFORM 0.9878 0.0502 0.1476 -0.0899 0.9570 0.2757 -0.1274 -0.2856 0.9498 13.958 -32.741 -46.748 A 89 SER B 42 SER.? A 216 ASP B 38 ASP~? A 243 HIS B 43 HIS.? ULMNm 3 1ig8_c00 HEXOKINASE PII user 1 3 RMSD = 1.12 A TRANSFORM 0.9083 -0.4162 -0.0420 0.4015 0.8392 0.3668 -0.1174 -0.3501 0.9293 30.888 24.076 -63.523 A 158 SER A 72 SER~? A 173 ARG A 80 ARG~? A 211 ASP A 69 ASP~? ULMNm 3 1sll_c00 SIALIDASE L user 2 3 RMSD = 1.26 A TRANSFORM 0.4208 0.2139 -0.8816 0.8121 -0.5220 0.2610 -0.4043 -0.8257 -0.3934 60.742 9.832 75.273 318 ASP B 18 ASP~? 595 GLU B 35 GLU~? 713 TYR B 34 TYR~? ULMNm 3 1bfd_c00 BENZOYLFORMATE DECARBOXYLASE user 3 3 RMSD = 1.26 A TRANSFORM 0.8669 -0.3982 0.2999 0.0347 0.6484 0.7605 -0.4973 -0.6488 0.5759 70.565 -35.446 131.078 28 GLU B 5 GLU~? 70 HIS B 2 HIS~? 281 HIS A 25 HIS.? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 1 3 RMSD = 1.27 A TRANSFORM 0.3220 0.1210 -0.9390 0.4291 0.8654 0.2587 0.8439 -0.4862 0.2268 73.805 -4.024 64.017 C 14 ASP A 24 ASP.? C 16 HIS A 25 HIS.? C 67 GLY A 22 GLY~? ULMNm 3 1bfd_c00 BENZOYLFORMATE DECARBOXYLASE user 1 3 RMSD = 1.28 A TRANSFORM -0.8610 -0.4039 -0.3090 -0.0040 0.6130 -0.7901 0.5086 -0.6790 -0.5294 116.591 61.209 196.335 28 GLU A 5 GLU~? 70 HIS A 2 HIS~? 281 HIS B 25 HIS.? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 1 3 RMSD = 1.28 A TRANSFORM 0.4905 0.0181 -0.8713 -0.4281 -0.8658 -0.2589 -0.7590 0.5000 -0.4169 68.311 35.241 114.397 A 14 ASP A 24 ASP.? A 16 HIS A 25 HIS.? A 67 GLY A 22 GLY~? ULMNm 3 2qs9_o01 RETINOBLASTOMA-BINDING PROTEIN 9 user 2 3 RMSD = 1.28 A TRANSFORM 0.5324 -0.3517 -0.7700 0.8241 0.0073 0.5664 -0.1936 -0.9361 0.2937 78.803 17.971 -0.260 B 75 SER B 42 SER.? B 138 ASP B 38 ASP~? B 165 HIS B 43 HIS.? ULMNm 3 1e7l_c01 RECOMBINATION ENDONUCLEASE VII user 3 3 RMSD = 1.28 A TRANSFORM -0.9293 0.2986 -0.2173 0.3692 0.7669 -0.5249 0.0100 -0.5680 -0.8229 39.889 18.739 88.913 B 41 HIS A 51 HIS~? B 43 HIS A 10 HIS~? B 65 GLU A 11 GLU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.29 A TRANSFORM 0.9726 -0.1790 0.1480 -0.2307 -0.8201 0.5236 0.0276 -0.5434 -0.8390 47.503 -18.770 109.683 A 67 ASP A 86 ASP~? A 68 ALA A 85 ALA~? A 72 LEU A 84 LEU~? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 10 3 RMSD = 1.30 A TRANSFORM 0.0632 -0.2651 -0.9622 -0.4089 -0.8863 0.2173 -0.9104 0.3797 -0.1644 122.355 11.991 48.184 412 GLU B 40 GLU.? 516 HIS B 51 HIS~? 559 HIS B 43 HIS.? ULMNm 3 1elq_c02 L-CYSTEINE/L-CYSTINE C-S LYASE user 6 3 RMSD = 1.30 A TRANSFORM 0.9909 0.1131 -0.0735 0.0573 -0.8464 -0.5295 -0.1221 0.5204 -0.8451 -43.854 57.939 30.774 A 114 HIS B 45 HIS.? A 197 ASP A 86 ASP~? A 223 LYS B 3 LYS~? ULMNm 3 2qs9_o01 RETINOBLASTOMA-BINDING PROTEIN 9 user 1 3 RMSD = 1.30 A TRANSFORM -0.5205 -0.3538 0.7771 -0.8325 0.0080 -0.5540 0.1899 -0.9353 -0.2987 -12.092 95.573 34.579 B 75 SER A 42 SER.? B 138 ASP A 38 ASP~? B 165 HIS A 43 HIS.? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 4 3 RMSD = 1.31 A TRANSFORM -0.0655 -0.2685 0.9611 0.3964 -0.8909 -0.2219 0.9157 0.3665 0.1648 3.896 35.573 19.260 412 GLU A 40 GLU.? 516 HIS A 51 HIS~? 559 HIS A 43 HIS.? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 2 3 RMSD = 1.32 A TRANSFORM -0.3063 0.1266 0.9435 -0.4514 0.8533 -0.2610 -0.8381 -0.5058 -0.2042 -39.576 32.309 99.713 C 14 ASP B 24 ASP.? C 16 HIS B 25 HIS.? C 67 GLY B 22 GLY~? ULMNm 3 2odj_o00 PORIN D user 4 3 RMSD = 1.34 A TRANSFORM -0.4603 0.0161 -0.8876 -0.2390 0.9607 0.1414 0.8550 0.2773 -0.4383 80.914 -19.304 67.470 A 156 HIS B 45 HIS.? A 208 ASP B 4 ASP~? A 296 SER A 73 SER~? ULMNm 3 2qs9_o00 RETINOBLASTOMA-BINDING PROTEIN 9 user 2 3 RMSD = 1.34 A TRANSFORM -0.1156 -0.5904 0.7988 -0.9815 -0.0559 -0.1834 0.1529 -0.8052 -0.5730 -50.764 15.611 77.441 A 75 SER B 42 SER.? A 138 ASP B 38 ASP~? A 165 HIS B 43 HIS.? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 2 3 RMSD = 1.34 A TRANSFORM -0.4736 0.0195 0.8805 0.4506 -0.8537 0.2612 0.7568 0.5205 0.3955 -35.172 -1.109 55.927 A 14 ASP B 24 ASP.? A 16 HIS B 25 HIS.? A 67 GLY B 22 GLY~? ULMNm 3 1cns_c00 CHITINASE user 3 3 RMSD = 1.34 A TRANSFORM -0.1854 -0.1290 -0.9742 -0.9597 -0.1891 0.2077 -0.2110 0.9735 -0.0887 49.161 5.356 51.855 A 67 GLU A 68 GLU~? A 89 GLU A 70 GLU~? A 120 SER A 73 SER~? ULMNm 3 2qs9_o00 RETINOBLASTOMA-BINDING PROTEIN 9 user 1 3 RMSD = 1.36 A TRANSFORM 0.1046 -0.5894 -0.8010 0.9840 -0.0552 0.1692 -0.1439 -0.8059 0.5742 47.429 -15.844 7.653 A 75 SER A 42 SER.? A 138 ASP A 38 ASP~? A 165 HIS A 43 HIS.? ULMNm 3 2odj_o01 PORIN D user 2 3 RMSD = 1.37 A TRANSFORM 0.8573 -0.3297 -0.3954 -0.3374 -0.9399 0.0524 -0.3889 0.0885 -0.9170 0.529 18.981 119.590 B 156 HIS A 45 HIS.? B 208 ASP A 4 ASP~? B 296 SER B 73 SER~? ULMNm 3 1w1o_c00 CYTOKININ DEHYDROGENASE 1 user 4 3 RMSD = 1.37 A TRANSFORM -0.3545 0.2317 0.9059 0.8781 -0.2505 0.4077 0.3214 0.9400 -0.1146 19.305 14.400 9.807 A 105 HIS A 53 HIS~? A 169 ASP B 27 ASP.? A 288 GLU B 28 GLU.? ULMNm 3 1e7l_c01 RECOMBINATION ENDONUCLEASE VII user 7 3 RMSD = 1.39 A TRANSFORM 0.8723 0.3588 0.3323 -0.4869 0.7009 0.5212 -0.0459 -0.6164 0.7861 -6.493 -41.670 -9.212 B 41 HIS B 51 HIS~? B 43 HIS B 10 HIS~? B 65 GLU B 11 GLU~? ULMNm 3 1ecx_c02 AMINOTRANSFERASE user 6 3 RMSD = 1.39 A TRANSFORM 0.8077 0.4130 -0.4207 -0.5893 0.5434 -0.5979 -0.0183 0.7308 0.6823 45.927 75.602 -29.329 A 99 HIS B 45 HIS.? A 177 ASP A 86 ASP~? A 203 LYS B 3 LYS~? ULMNm 3 1pfq_c01 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 2 3 RMSD = 1.39 A TRANSFORM 0.1999 -0.1328 0.9708 -0.1420 0.9764 0.1628 -0.9695 -0.1704 0.1764 -61.421 -22.389 14.874 B 630 SER B 42 SER.? B 708 ASP B 38 ASP~? B 740 HIS B 43 HIS.? ULMNm 3 1a7u_c03 CHLOROPEROXIDASE T user 1 3 RMSD = 1.40 A TRANSFORM 0.3156 -0.0279 0.9485 -0.0447 0.9980 0.0442 -0.9478 -0.0563 0.3137 -36.395 45.114 -31.306 B 98 SER B 42 SER.? B 228 ASP B 38 ASP~? B 257 HIS B 43 HIS.? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.41 A TRANSFORM 0.9296 0.3051 -0.2070 0.2129 0.0143 0.9770 0.3010 -0.9522 -0.0517 130.956 -7.031 156.530 B1198 GLY A 75 GLY~? B1228 SER A 73 SER~? B1549 ASP A 69 ASP~? ULMNm 3 1pfq_c01 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.41 A TRANSFORM -0.2136 -0.1321 -0.9679 0.1384 0.9767 -0.1638 0.9671 -0.1690 -0.1904 60.913 -3.438 28.188 B 630 SER A 42 SER.? B 708 ASP A 38 ASP~? B 740 HIS A 43 HIS.? ULMNm 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.43 A TRANSFORM -0.1466 0.4167 0.8971 0.4169 0.8485 -0.3260 -0.8970 0.3263 -0.2981 -56.770 -6.626 35.574 A 630 SER A 42 SER.? A 709 ASP A 38 ASP~? A 740 HIS A 43 HIS.? ULMNm 3 1ig8_c00 HEXOKINASE PII user 2 3 RMSD = 1.44 A TRANSFORM 0.3213 -0.8198 -0.4739 0.8260 -0.0020 0.5636 -0.4630 -0.5726 0.6766 81.527 25.340 -34.401 A 158 SER A 73 SER~? A 173 ARG A 80 ARG~? A 211 ASP A 69 ASP~? ULMNm 3 1pfq_c00 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 2 3 RMSD = 1.44 A TRANSFORM -0.0929 -0.4563 -0.8850 -0.1090 0.8881 -0.4465 0.9897 0.0550 -0.1322 66.938 19.116 28.510 A 630 SER B 42 SER.? A 708 ASP B 38 ASP~? A 740 HIS B 43 HIS.? ULMNm 3 1elq_c03 L-CYSTEINE/L-CYSTINE C-S LYASE user 6 3 RMSD = 1.44 A TRANSFORM -0.9949 -0.0764 0.0654 -0.0140 0.7489 0.6625 -0.0996 0.6582 -0.7462 -49.791 -68.091 20.377 B 114 HIS B 45 HIS.? B 197 ASP A 86 ASP~? B 223 LYS B 3 LYS~? ULMNm 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 2 3 RMSD = 1.45 A TRANSFORM 0.1571 0.4178 -0.8948 -0.4214 0.8478 0.3219 0.8931 0.3266 0.3093 52.923 -42.790 -10.813 A 630 SER B 42 SER.? A 709 ASP B 38 ASP~? A 740 HIS B 43 HIS.? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.45 A TRANSFORM 0.4634 0.1348 -0.8758 0.7692 0.4295 0.4731 0.4399 -0.8930 0.0954 108.696 -62.426 70.906 A 198 GLY A 75 GLY~? A 228 SER A 73 SER~? A 549 ASP A 69 ASP~? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 4 3 RMSD = 1.45 A TRANSFORM -0.0017 -0.7581 -0.6521 -0.5539 0.5437 -0.6306 0.8326 0.3601 -0.4209 115.951 26.830 59.235 A 44 HIS B 10 HIS~? A 45 HIS B 51 HIS~? A 261 PHE A 71 PHE~? ULMNm 3 1azw_c01 PROLINE IMINOPEPTIDASE user 1 3 RMSD = 1.45 A TRANSFORM -0.4267 0.7376 -0.5234 0.6669 -0.1343 -0.7329 -0.6109 -0.6618 -0.4346 67.638 99.369 74.663 B 110 SER B 42 SER.? B 266 ASP B 38 ASP~? B 294 HIS B 43 HIS.? ULMNm 3 2isd_c01 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 7 3 RMSD = 1.46 A TRANSFORM -0.2668 -0.4156 -0.8695 0.6307 -0.7575 0.1686 -0.7287 -0.5034 0.4642 147.216 52.937 -52.679 B 311 HIS B 10 HIS~? B 341 GLU B 11 GLU~? B 356 HIS B 43 HIS.? ULMNm 3 1pfq_c00 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.46 A TRANSFORM 0.1065 -0.4577 0.8827 0.1144 0.8875 0.4464 -0.9877 0.0534 0.1469 -43.761 -37.334 20.834 A 630 SER A 42 SER.? A 708 ASP A 38 ASP~? A 740 HIS A 43 HIS.? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 2 3 RMSD = 1.48 A TRANSFORM -0.0106 -0.7675 0.6409 0.5954 0.5101 0.6207 -0.8034 0.3882 0.4516 36.207 -56.060 12.238 A 44 HIS A 10 HIS~? A 45 HIS A 51 HIS~? A 261 PHE B 71 PHE~? ULMNm 3 1dwo_c01 HYDROXYNITRILE LYASE user 1 3 RMSD = 1.48 A TRANSFORM 0.6432 0.6906 -0.3307 -0.5594 0.7187 0.4130 0.5229 -0.0806 0.8486 73.221 -34.510 44.303 B 80 SER B 42 SER.? B 208 ASP B 38 ASP~? B 236 HIS B 43 HIS.? ULMNm 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.48 A TRANSFORM -0.1672 -0.8072 -0.5661 0.5247 0.4133 -0.7442 0.8347 -0.4215 0.3544 54.765 26.906 9.231 B 630 SER A 42 SER.? B 709 ASP A 38 ASP~? B 740 HIS A 43 HIS.? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.48 A TRANSFORM -0.6014 -0.5497 0.5798 0.7443 -0.1216 0.6567 -0.2905 0.8264 0.4823 14.538 22.774 -34.900 B 194 SER A 67 SER~? B 292 ASP A 18 ASP~? B 322 HIS B 51 HIS~? ULMNm 3 1dwo_c00 HYDROXYNITRILE LYASE user 1 3 RMSD = 1.49 A TRANSFORM 0.6866 -0.6138 0.3896 -0.4251 -0.7737 -0.4698 0.5899 0.1570 -0.7921 43.803 88.548 188.357 A 80 SER B 42 SER.? A 208 ASP B 38 ASP~? A 236 HIS B 43 HIS.? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.49 A TRANSFORM -0.2340 0.5310 0.8144 -0.9692 -0.0613 -0.2386 -0.0767 -0.8451 0.5290 -36.398 57.814 28.114 A 194 SER A 67 SER~? A 292 ASP A 18 ASP~? A 322 HIS B 51 HIS~? ULMNm 3 1azw_c00 PROLINE IMINOPEPTIDASE user 1 3 RMSD = 1.50 A TRANSFORM -0.1309 -0.4224 0.8969 0.7811 -0.6011 -0.1691 0.6106 0.6784 0.4086 -26.428 62.206 41.428 A 110 SER B 42 SER.? A 266 ASP B 38 ASP~? A 294 HIS B 43 HIS.? ULMNm 3 2isd_c00 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 7 3 RMSD = 1.50 A TRANSFORM -0.7666 -0.6112 -0.1970 0.6130 -0.7879 0.0591 -0.1913 -0.0754 0.9786 143.299 60.110 -50.044 A 311 HIS B 10 HIS~? A 341 GLU B 11 GLU~? A 356 HIS B 43 HIS.?