*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2dbt_c00 CHITINASE C user 1 3 RMSD = 0.99 A TRANSFORM 0.6905 -0.4386 -0.5752 -0.7232 -0.4306 -0.5399 0.0108 -0.7888 0.6145 79.595 76.215 47.125 A 147 GLU A 100 GLU^? A 156 GLU A 71 GLU^? A 194 ASN A 128 ASN^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.00 A TRANSFORM 0.8880 -0.4574 -0.0473 -0.3533 -0.7446 0.5663 0.2942 0.4861 0.8229 0.266 48.979 -28.418 141 ASP A 90 ASP~? 166 GLY A 108 GLY.? 169 GLU A 38 GLU~? ULMNm 3 2dbt_c02 CHITINASE C user 1 3 RMSD = 1.03 A TRANSFORM -0.6498 0.0783 0.7561 0.7556 0.1755 0.6311 0.0833 -0.9814 0.1732 53.261 -18.385 65.539 C 147 GLU A 100 GLU^? C 156 GLU A 71 GLU^? C 194 ASN A 128 ASN^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.05 A TRANSFORM 0.9351 0.0709 -0.3472 0.2718 -0.7722 0.5743 0.2274 0.6314 0.7414 -28.230 44.516 -35.624 141 ASP A 65 ASP.? 166 GLY A 85 GLY.? 169 GLU A 38 GLU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.10 A TRANSFORM 0.1434 0.7602 0.6336 -0.3048 0.6431 -0.7025 0.9415 0.0924 -0.3240 9.258 -10.529 -15.145 A 67 ASP A 90 ASP~? A 68 ALA A 89 ALA~? A 72 LEU A 92 LEU~? ULMNm 3 1emd_c01 MALATE DEHYDROGENASE (E.C.1.1.1.37) user 1 3 RMSD = 1.14 A TRANSFORM 0.5122 0.1525 0.8452 -0.0281 0.9866 -0.1609 0.8584 -0.0587 -0.5096 -13.713 -60.029 24.187 150 ASP A 163 ASP^? 153 ARG A 165 ARG.? 177 HIS A 168 HIS^? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 1 3 RMSD = 1.15 A TRANSFORM -0.1818 0.6138 0.7682 -0.6166 0.5374 -0.5753 0.7660 0.5782 -0.2808 -32.978 3.671 -52.392 A 14 GLU A 35 GLU.? A 61 GLU A 66 GLU.? A 162 HIS A 32 HIS.? ULMNm 3 2dbt_c01 CHITINASE C user 2 3 RMSD = 1.19 A TRANSFORM -0.6530 0.6973 0.2954 -0.6432 -0.3047 -0.7025 0.3999 0.6488 -0.6475 26.964 114.934 -29.146 B 147 GLU A 100 GLU^? B 156 GLU A 71 GLU^? B 194 ASN A 128 ASN^? ULMNm 3 1ldm_c01 M4 LACTATE DEHYDROGENASE user 1 3 RMSD = 1.21 A TRANSFORM 0.8583 0.3635 -0.3621 0.3207 -0.9310 -0.1744 0.4005 -0.0336 0.9157 -3.028 77.060 -4.957 166 ASP A 163 ASP^? 169 ARG A 165 ARG.? 193 HIS A 168 HIS^? ULMNm 3 1vzx_c03 2.04.01.0087 user 1 3 RMSD = 1.28 A TRANSFORM -0.9800 -0.0936 -0.1758 -0.0224 -0.8256 0.5638 0.1979 -0.5565 -0.8069 42.576 59.380 43.630 B1314 TYR A 22 TYR^? B1317 GLU A 23 GLU^? B1365 ARG A 179 ARG.? ULMNm 3 4mdh_c03 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 1 3 RMSD = 1.28 A TRANSFORM 0.8217 -0.0663 0.5660 0.0075 -0.9919 -0.1271 -0.5698 -0.1087 0.8146 39.735 82.295 29.875 B 158 ASP A 163 ASP^? B 161 ARG A 165 ARG.? B 186 HIS A 168 HIS^? ULMNm 3 1vzx_c02 2.04.01.0087 user 1 3 RMSD = 1.28 A TRANSFORM 0.9803 0.1029 0.1687 0.0123 -0.8838 0.4676 -0.1973 0.4563 0.8677 -28.003 61.328 10.230 A 314 TYR A 22 TYR^? A 317 GLU A 23 GLU^? A 365 ARG A 179 ARG.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.30 A TRANSFORM 0.4353 0.8072 0.3985 -0.8529 0.5115 -0.1043 0.2880 0.2945 -0.9112 -0.505 8.255 -1.829 A 67 ASP A 88 ASP~? A 68 ALA A 89 ALA~? A 72 LEU A 92 LEU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 8 3 RMSD = 1.31 A TRANSFORM -0.3451 -0.7269 -0.5937 0.0673 -0.6501 0.7569 0.9361 -0.2213 -0.2733 9.309 25.589 145.769 B 70 ALA A 131 ALA^? B 126 LEU A 110 LEU~? B 158 GLU A 114 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 8 3 RMSD = 1.32 A TRANSFORM 0.2687 -0.2107 0.9399 0.3403 0.9336 0.1120 0.9011 -0.2898 -0.3226 -8.595 -15.277 147.769 A 70 ALA A 131 ALA^? A 126 LEU A 110 LEU~? A 158 GLU A 114 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 7 3 RMSD = 1.34 A TRANSFORM 0.1758 0.9101 -0.3752 -0.3183 -0.3081 -0.8965 0.9315 -0.2771 -0.2356 -34.955 20.555 146.918 C 70 ALA A 131 ALA^? C 126 LEU A 110 LEU~? C 158 GLU A 114 GLU~? ULMNm 3 1t0u_c01 URIDINE PHOSPHORYLASE user 1 3 RMSD = 1.36 A TRANSFORM -0.2853 0.2168 -0.9336 -0.0605 0.9681 0.2432 -0.9565 -0.1259 0.2631 -21.042 -47.150 -14.268 B 8 HIS A 80 HIS^? B 80 GLU A 71 GLU^? B 223 ARG A 165 ARG.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.37 A TRANSFORM -0.7710 0.5951 -0.2268 -0.4837 -0.3156 0.8164 -0.4142 -0.7391 -0.5312 -23.057 21.554 65.958 141 ASP A 151 ASP^? 166 GLY A 157 GLY.? 169 GLU A 178 GLU.? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 1 3 RMSD = 1.37 A TRANSFORM -0.1323 -0.3909 -0.9109 -0.8785 0.4719 -0.0749 -0.4591 -0.7902 0.4059 35.001 52.440 92.750 A 32 ASP A 18 ASP.? A 35 SER A 155 SER^? A 215 ASP A 16 ASP^? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.39 A TRANSFORM -0.3920 0.6854 0.6136 0.5538 -0.3568 0.7523 -0.7346 -0.6348 0.2397 -32.695 44.128 198.564 A 70 ALA A 68 ALA.? A 126 LEU A 61 LEU~? A 158 GLU A 35 GLU.? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 1 3 RMSD = 1.39 A TRANSFORM -0.0578 -0.9983 -0.0004 -0.0404 0.0028 -0.9992 -0.9975 0.0578 0.0405 171.649 81.753 21.589 B 137 GLY A 20 GLY.? B 175 ARG A 19 ARG.? B 242 TYR A 51 TYR.? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 9 3 RMSD = 1.40 A TRANSFORM 0.1758 0.3171 0.9320 0.5211 0.7732 -0.3614 0.8352 -0.5492 0.0293 -28.885 -54.740 46.200 C 124 ALA A 141 ALA~? C 126 ARG A 165 ARG.? C 138 GLU A 38 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.40 A TRANSFORM -0.3497 -0.0923 -0.9323 -0.6212 0.7678 0.1570 -0.7013 -0.6340 0.3259 -25.242 -24.609 200.236 B 70 ALA A 68 ALA.? B 126 LEU A 61 LEU~? B 158 GLU A 35 GLU.? ULMNm 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.40 A TRANSFORM 0.5369 0.8306 -0.1475 0.5368 -0.4712 -0.6999 0.6508 -0.2966 0.6989 -17.865 56.498 90.653 D 107 ASP A 163 ASP^? D 246 ASP A 135 ASP~? D 275 HIS A 168 HIS^? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 9 3 RMSD = 1.41 A TRANSFORM 0.3469 0.5578 -0.7540 0.3396 0.6747 0.6554 -0.8743 0.4834 -0.0446 -42.617 -46.614 40.798 F 124 ALA A 141 ALA~? F 126 ARG A 165 ARG.? F 138 GLU A 38 GLU~? ULMNm 3 1smn_c01 EXTRACELLULAR ENDONUCLEASE user 2 3 RMSD = 1.42 A TRANSFORM 0.8631 0.2962 -0.4091 -0.3186 0.9478 0.0141 -0.3919 -0.1182 -0.9124 -61.553 -27.604 61.506 B 87 ARG A 179 ARG.? B 89 HIS A 80 HIS^? B 119 ASN A 52 ASN.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 8 3 RMSD = 1.43 A TRANSFORM -0.1011 0.7855 0.6105 0.9519 -0.1019 0.2888 -0.2891 -0.6104 0.7375 -36.690 -26.676 172.354 C 70 ALA A 131 ALA^? C 126 LEU A 175 LEU^? C 158 GLU A 114 GLU~? ULMNm 3 1smn_c00 EXTRACELLULAR ENDONUCLEASE user 2 3 RMSD = 1.44 A TRANSFORM -0.8618 -0.3110 0.4006 -0.3332 0.9427 0.0152 0.3824 0.1204 0.9161 60.997 -26.723 41.973 A 87 ARG A 179 ARG.? A 89 HIS A 80 HIS^? A 119 ASN A 52 ASN.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.44 A TRANSFORM -0.6784 -0.3892 -0.6231 -0.6355 -0.1146 0.7635 0.3685 -0.9140 0.1696 53.313 11.116 197.672 C 70 ALA A 56 ALA^? C 126 LEU A 55 LEU^? C 158 GLU A 71 GLU^? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.45 A TRANSFORM 0.9176 0.2202 -0.3310 -0.2581 -0.3034 -0.9173 0.3024 -0.9271 0.2215 -40.409 67.102 198.785 A 70 ALA A 56 ALA^? A 126 LEU A 55 LEU^? A 158 GLU A 71 GLU^? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.45 A TRANSFORM -0.2067 0.0672 0.9761 0.9253 0.3377 0.1727 0.3180 -0.9389 0.1319 -41.233 -42.854 201.970 B 70 ALA A 56 ALA^? B 126 LEU A 55 LEU^? B 158 GLU A 71 GLU^? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.46 A TRANSFORM -0.7807 -0.6089 0.1407 0.5278 -0.7629 -0.3733 -0.3346 0.2171 -0.9170 83.061 84.114 80.247 A 50 GLN A 171 GLN.? A 91 LEU A 172 LEU.? A 133 GLU A 169 GLU^? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.46 A TRANSFORM -0.1647 0.6408 -0.7498 -0.5849 -0.6756 -0.4489 0.7942 -0.3646 -0.4861 -26.110 141.823 42.154 A 137 ARG A 39 ARG~? A 141 THR A 41 THR~? A 235 ASP A 63 ASP~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 9 3 RMSD = 1.46 A TRANSFORM 0.8695 -0.4922 -0.0411 -0.4083 -0.6695 -0.6205 -0.2778 -0.5563 0.7832 -30.249 52.425 170.112 B 70 ALA A 131 ALA^? B 126 LEU A 175 LEU^? B 158 GLU A 114 GLU~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 5 3 RMSD = 1.47 A TRANSFORM 0.3069 -0.7103 -0.6334 -0.9464 -0.1573 -0.2822 -0.1008 -0.6861 0.7205 101.525 48.412 55.619 199 ASP A 164 ASP.? 218 GLU A 66 GLU.? 329 ASP A 143 ASP.? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 9 3 RMSD = 1.47 A TRANSFORM -0.7971 -0.3575 -0.4867 -0.5696 0.7125 0.4097 -0.2003 -0.6038 0.7716 35.319 7.484 168.647 A 70 ALA A 131 ALA^? A 126 LEU A 175 LEU^? A 158 GLU A 114 GLU~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 1.47 A TRANSFORM 0.3898 0.7453 0.5409 -0.9081 0.2135 0.3603 -0.1530 0.6316 -0.7600 4.204 22.615 -21.664 199 ASP A 143 ASP.? 218 GLU A 71 GLU^? 329 ASP A 164 ASP.? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.47 A TRANSFORM -0.0824 -0.9889 -0.1239 0.9630 -0.0470 -0.2653 -0.2565 0.1412 -0.9562 123.493 29.258 60.313 C1050 GLN A 171 GLN.? C1091 LEU A 172 LEU.? C1133 GLU A 169 GLU^? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.48 A TRANSFORM 0.1485 -0.6409 0.7531 0.5975 0.6650 0.4481 0.7880 -0.3834 -0.4817 26.482 19.694 43.461 C 137 ARG A 39 ARG~? C 141 THR A 41 THR~? C 235 ASP A 63 ASP~?