*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 0.94 A TRANSFORM 0.1796 -0.0107 -0.9837 0.0851 -0.9960 0.0264 -0.9801 -0.0885 -0.1780 25.690 102.657 67.159 A 316 ALA B 31 ALA~? A 317 GLY B 35 GLY.? A 318 ASP B 33 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 0.95 A TRANSFORM -0.5815 0.1746 0.7946 -0.5969 -0.7552 -0.2709 0.5527 -0.6319 0.5434 0.226 69.356 91.717 A 316 ALA A 31 ALA~? A 317 GLY A 35 GLY.? A 318 ASP A 33 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 0.99 A TRANSFORM -0.9181 -0.3847 0.0948 0.0767 -0.4073 -0.9101 0.3887 -0.8283 0.4035 16.726 47.513 65.239 141 ASP A 33 ASP~? 166 GLY A 43 GLY~? 169 GLU B 58 GLU~? ULMNm 3 1bhg_c05 BETA-GLUCURONIDASE user 7 3 RMSD = 1.07 A TRANSFORM -0.2892 0.9026 0.3190 -0.6007 -0.4305 0.6736 0.7453 0.0031 0.6667 -3.842 81.383 109.535 B 382 ARG B 47 ARG~? B 451 GLU B 16 GLU~? B 540 GLU B 17 GLU~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.15 A TRANSFORM 0.4977 0.3763 0.7814 0.8371 0.0274 -0.5464 -0.2270 0.9261 -0.3014 103.668 0.826 -74.806 A 316 ALA B 31 ALA~? A 317 GLY B 35 GLY.? A 318 ASP B 33 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.16 A TRANSFORM 0.2152 0.5308 -0.8197 -0.8199 0.5542 0.1436 0.5305 0.6412 0.5544 115.375 -35.361 -44.930 A 316 ALA A 31 ALA~? A 317 GLY A 35 GLY.? A 318 ASP A 33 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.17 A TRANSFORM -0.7848 0.5537 -0.2784 0.5555 0.4293 -0.7121 -0.2747 -0.7135 -0.6445 -13.739 -67.184 15.338 B 250 ALA B 31 ALA~? B 251 GLY B 35 GLY.? B 252 ASP B 33 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.18 A TRANSFORM 0.7269 0.0141 0.6866 -0.4778 0.7285 0.4909 -0.4933 -0.6848 0.5363 22.394 -85.373 -11.070 B 250 ALA A 31 ALA~? B 251 GLY A 35 GLY.? B 252 ASP A 33 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.23 A TRANSFORM -0.5869 -0.0371 0.8088 0.6568 -0.6059 0.4488 0.4734 0.7947 0.3800 40.001 20.272 -77.660 A 250 ALA B 31 ALA~? A 251 GLY B 35 GLY.? A 252 ASP B 33 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.23 A TRANSFORM 0.7593 -0.4373 -0.4819 -0.5886 -0.1459 -0.7952 0.2774 0.8874 -0.3682 73.275 -10.015 -60.188 A 250 ALA A 31 ALA~? A 251 GLY A 35 GLY.? A 252 ASP A 33 ASP~? ULMNm 3 1bhg_c04 BETA-GLUCURONIDASE user 8 3 RMSD = 1.23 A TRANSFORM -0.3689 0.8098 0.4562 0.4922 0.5865 -0.6432 -0.7884 -0.0127 -0.6150 0.903 25.557 91.576 A 382 ARG B 47 ARG~? A 451 GLU B 16 GLU~? A 540 GLU B 17 GLU~? ULMNm 3 1fhl_c00 BETA-1,4-GALACTANASE user 4 3 RMSD = 1.30 A TRANSFORM 0.4577 -0.8239 -0.3343 -0.8626 -0.3203 -0.3916 0.2156 0.4676 -0.8572 91.278 68.016 67.331 A 45 ARG B 47 ARG~? A 136 GLU B 16 GLU~? A 246 GLU B 17 GLU~? ULMNm 3 1bqc_c01 BETA-MANNANASE user 7 3 RMSD = 1.30 A TRANSFORM -0.2681 -0.8600 -0.4342 -0.8954 0.3887 -0.2170 0.3554 0.3307 -0.8743 124.467 -11.451 -12.838 A 50 ARG B 47 ARG~? A 128 GLU B 16 GLU~? A 225 GLU B 17 GLU~? ULMNm 3 1fob_c00 BETA-1,4-GALACTANASE user 6 3 RMSD = 1.34 A TRANSFORM 0.5114 -0.8075 -0.2939 -0.8199 -0.3561 -0.4482 0.2573 0.4702 -0.8442 89.447 71.042 66.377 A 45 ARG B 47 ARG~? A 136 GLU B 16 GLU~? A 246 GLU B 17 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.34 A TRANSFORM -0.9909 0.0389 0.1287 -0.0678 0.6821 -0.7281 -0.1161 -0.7302 -0.6733 -14.995 -36.245 59.843 141 ASP A 33 ASP~? 166 GLY A 43 GLY~? 169 GLU A 50 GLU~? ULMNm 3 2ag0_c08 BENZALDEHYDE LYASE user 1 3 RMSD = 1.35 A TRANSFORM 0.4139 -0.8748 0.2519 0.8762 0.4579 0.1506 -0.2471 0.1583 0.9560 111.807 -35.578 -5.402 B 29 HIS A 87 HIS^? B 50 GLU A 83 GLU~? B 113 GLN A 89 GLN.? ULMNm 3 2ag0_c04 BENZALDEHYDE LYASE user 1 3 RMSD = 1.35 A TRANSFORM 0.4139 -0.8748 0.2519 0.8762 0.4579 0.1506 -0.2471 0.1583 0.9560 111.807 -35.578 -5.402 B 29 HIS A 87 HIS^? B 50 GLU A 83 GLU~? B 113 GLN A 89 GLN.? ULMNm 3 2ag0_c09 BENZALDEHYDE LYASE user 1 3 RMSD = 1.36 A TRANSFORM -0.3668 0.9094 -0.1960 0.0022 0.2116 0.9774 0.9303 0.3581 -0.0796 -2.497 -29.853 -5.265 A 29 HIS A 87 HIS^? A 50 GLU A 83 GLU~? A 113 GLN A 89 GLN.? ULMNm 3 2ag0_c11 BENZALDEHYDE LYASE user 1 3 RMSD = 1.36 A TRANSFORM 0.4604 -0.8819 0.1013 -0.8691 -0.4711 -0.1511 0.1809 -0.0185 -0.9833 114.196 31.033 32.304 D 29 HIS A 87 HIS^? D 50 GLU A 83 GLU~? D 113 GLN A 89 GLN.? ULMNm 3 2ag0_c10 BENZALDEHYDE LYASE user 1 3 RMSD = 1.37 A TRANSFORM -0.5031 0.8499 -0.1566 -0.0109 -0.1874 -0.9822 -0.8642 -0.4925 0.1035 1.029 22.954 49.766 C 29 HIS A 87 HIS^? C 50 GLU A 83 GLU~? C 113 GLN A 89 GLN.? ULMNm 3 1ald_c00 ALDOLASE A (E.C.4.1.2.13) user 1 3 RMSD = 1.38 A TRANSFORM 0.7646 0.5892 0.2613 0.2182 -0.6180 0.7553 0.6065 -0.5204 -0.6011 -105.039 80.501 88.562 33 ASP A 12 ASP.? 187 GLU B 82 GLU~? 229 LYS B 78 LYS~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 4 3 RMSD = 1.39 A TRANSFORM 0.5544 -0.1283 0.8223 0.4977 -0.7408 -0.4511 0.6670 0.6594 -0.3469 63.467 44.982 -61.670 A 37 ASP B 70 ASP.? A 56 ILE B 28 ILE~? A 82 TYR B 65 TYR~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.40 A TRANSFORM 0.6332 -0.5449 -0.5497 0.7454 0.2381 0.6226 -0.2084 -0.8040 0.5569 37.100 -24.985 73.955 141 ASP B 33 ASP~? 166 GLY B 43 GLY~? 169 GLU B 50 GLU~? ULMNm 3 1b6t_c01 PHOSPHOPANTETHEINE ADENYLYLTRANSFERAuser 1 3 RMSD = 1.41 A TRANSFORM 0.4508 -0.4779 -0.7539 0.8635 0.0194 0.5040 -0.2262 -0.8782 0.4215 67.678 12.834 100.511 B 18 HIS A 23 HIS~? B 91 ARG A 47 ARG~? B 129 SER B 56 SER~? ULMNm 3 1t0u_c01 URIDINE PHOSPHORYLASE user 1 3 RMSD = 1.41 A TRANSFORM 0.4720 -0.7955 0.3801 0.5355 -0.0839 -0.8404 0.7004 0.6002 0.3864 41.166 27.833 -79.545 B 8 HIS A 87 HIS^? B 80 GLU A 85 GLU.? B 223 ARG B 81 ARG~? ULMNm 3 1euu_c00 SIALIDASE user 3 3 RMSD = 1.42 A TRANSFORM -0.6088 -0.7087 -0.3566 -0.2103 0.5776 -0.7888 0.7650 -0.4052 -0.5007 64.502 -60.528 45.121 92 ASP B 70 ASP.? 260 GLU B 29 GLU~? 370 TYR B 65 TYR~? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 4 3 RMSD = 1.43 A TRANSFORM 0.5520 -0.1226 0.8248 0.4806 -0.7615 -0.4348 0.6814 0.6364 -0.3614 65.951 30.362 -87.804 B 37 ASP B 70 ASP.? B 56 ILE B 28 ILE~? B 82 TYR B 65 TYR~? ULMNm 3 1jqn_c01 PHOSPHOENOLPYRUVATE CARBOXYLASE user 1 3 RMSD = 1.43 A TRANSFORM 0.4909 -0.4755 -0.7300 0.1330 -0.7872 0.6022 -0.8610 -0.3927 -0.3232 58.783 87.951 8.436 A 396 ARG A 38 ARG~? A 581 ARG A 81 ARG~? A 713 ARG B 63 ARG~? ULMNm 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 1 3 RMSD = 1.46 A TRANSFORM 0.9530 -0.2989 -0.0489 -0.0155 0.1131 -0.9935 0.3025 0.9476 0.1031 27.708 18.279 -25.903 111 GLN B 75 GLN~? 294 GLU B 83 GLU~? 304 ARG A 47 ARG~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.47 A TRANSFORM -0.3658 0.2363 -0.9002 0.3046 0.9444 0.1241 0.8794 -0.2288 -0.4174 28.077 -58.180 12.974 A 229 ALA B 31 ALA~? A 257 ALA B 27 ALA~? A 328 ASP B 40 ASP~? ULMNm 3 1bgl_c08 BETA-GALACTOSIDASE user 5 3 RMSD = 1.47 A TRANSFORM 0.9630 0.0819 0.2568 -0.2644 0.4720 0.8410 -0.0523 -0.8778 0.4761 0.926 99.521 70.034 A 461 GLU B 82 GLU~? A 503 TYR B 74 TYR~? A 537 GLU A 17 GLU~? ULMNm 3 1onr_c01 TRANSALDOLASE B user 1 3 RMSD = 1.49 A TRANSFORM -0.9869 -0.0780 -0.1413 -0.0965 -0.4163 0.9041 -0.1293 0.9059 0.4034 48.502 67.886 -67.756 B 17 ASP A 12 ASP.? B 96 GLU B 82 GLU~? B 132 LYS B 78 LYS~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 2 3 RMSD = 1.49 A TRANSFORM -0.1353 0.1090 -0.9848 -0.9707 -0.2137 0.1097 -0.1985 0.9708 0.1348 61.010 -7.258 -69.168 A 37 ASP A 70 ASP.? A 56 ILE A 28 ILE~? A 82 TYR A 65 TYR~? ULMNm 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 1 3 RMSD = 1.49 A TRANSFORM 0.9544 -0.0903 -0.2846 0.2723 0.6549 0.7050 0.1227 -0.7503 0.6496 8.612 -39.807 67.890 159 ARG A 47 ARG~? 229 SER B 72 SER~? 325 GLU A 50 GLU~? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 6 3 RMSD = 1.50 A TRANSFORM -0.6469 -0.5721 0.5043 0.0054 0.6578 0.7532 -0.7626 0.4899 -0.4224 38.945 0.513 10.378 C 130 SER B 54 SER~? C 166 PHE B 48 PHE~? C 182 PHE B 62 PHE~? ULMNm 3 1onr_c00 TRANSALDOLASE B user 1 3 RMSD = 1.50 A TRANSFORM -0.9862 -0.0741 -0.1478 -0.1009 -0.4385 0.8930 -0.1310 0.8957 0.4250 48.440 24.591 -50.103 A 17 ASP A 12 ASP.? A 96 GLU B 82 GLU~? A 132 LYS B 78 LYS~?