*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 3 3 RMSD = 0.70 A TRANSFORM -0.9458 -0.1646 -0.2800 -0.2566 0.9072 0.3334 -0.1992 -0.3872 0.9002 91.436 -13.249 16.950 A 198 GLY B 40 GLY^? A 228 SER B 72 SER^? A 549 ASP B 69 ASP^? ULMNm 3 1ndo_c00 NAPTHALENE 1,2-DIOXYGENASE user 2 3 RMSD = 0.70 A TRANSFORM 0.5288 0.6600 0.5336 0.2631 0.4703 -0.8424 0.8069 -0.5858 -0.0750 -35.858 51.708 45.878 A 205 ASP B 88 ASP^? A 208 HIS B 31 HIS^? C 104 HIS B 26 HIS^? ULMNm 3 1ndo_c00 NAPTHALENE 1,2-DIOXYGENASE user 1 3 RMSD = 0.72 A TRANSFORM -0.5547 0.8174 -0.1554 -0.2754 -0.0042 0.9613 -0.7851 -0.5761 -0.2274 17.539 5.367 96.274 A 205 ASP A 88 ASP~? A 208 HIS A 31 HIS~? C 104 HIS A 26 HIS~? ULMNm 3 1ndo_c02 NAPTHALENE 1,2-DIOXYGENASE user 2 3 RMSD = 0.72 A TRANSFORM 0.9274 0.3379 0.1602 0.3230 -0.9397 0.1121 -0.1885 0.0522 0.9807 -17.991 57.830 1.373 C 205 ASP B 88 ASP^? C 208 HIS B 31 HIS^? E 104 HIS B 26 HIS^? ULMNm 3 1ndo_c02 NAPTHALENE 1,2-DIOXYGENASE user 1 3 RMSD = 0.73 A TRANSFORM -0.9397 0.3418 0.0110 -0.2899 -0.7790 -0.5560 0.1815 0.5257 -0.8311 39.385 98.403 52.362 C 205 ASP A 88 ASP~? C 208 HIS A 31 HIS~? E 104 HIS A 26 HIS~? ULMNm 3 1ndo_c01 NAPTHALENE 1,2-DIOXYGENASE user 2 3 RMSD = 0.73 A TRANSFORM 0.7200 0.0747 0.6900 -0.6599 0.3815 0.6473 0.2149 0.9213 -0.3240 -26.955 12.759 20.271 A 104 HIS B 26 HIS^? E 205 ASP B 88 ASP^? E 208 HIS B 31 HIS^? ULMNm 3 1ndo_c01 NAPTHALENE 1,2-DIOXYGENASE user 1 3 RMSD = 0.75 A TRANSFORM -0.7257 0.3741 -0.5774 0.6424 0.6687 -0.3742 -0.2461 0.6425 0.7257 56.665 10.471 -3.001 A 104 HIS A 26 HIS~? E 205 ASP A 88 ASP~? E 208 HIS A 31 HIS~? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 0.76 A TRANSFORM 0.9526 -0.2743 0.1316 0.2465 0.9495 0.1942 0.1782 0.1526 -0.9721 23.833 -21.869 69.715 A 198 GLY A 40 GLY.? A 228 SER A 72 SER~? A 549 ASP A 69 ASP~? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 3 3 RMSD = 0.83 A TRANSFORM -0.8227 0.5420 0.1715 0.5264 0.6122 0.5900 -0.2148 -0.5757 0.7890 149.885 26.786 93.878 B1198 GLY B 40 GLY^? B1228 SER B 72 SER^? B1549 ASP B 69 ASP^? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 0.90 A TRANSFORM 0.8169 0.5631 0.1250 -0.5423 0.8235 -0.1665 0.1967 -0.0682 -0.9781 105.762 83.140 141.946 B1198 GLY A 40 GLY.? B1228 SER A 72 SER~? B1549 ASP A 69 ASP~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 1 3 RMSD = 1.09 A TRANSFORM -0.4977 0.7026 0.5086 -0.8631 -0.3434 -0.3702 0.0854 0.6232 -0.7774 -9.551 26.861 -0.407 14 ASP A 69 ASP~? 16 HIS A 70 HIS~? 67 GLY A 86 GLY~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 7 3 RMSD = 1.10 A TRANSFORM 0.4922 0.8655 -0.0933 0.8680 -0.4799 0.1272 -0.0654 0.1436 0.9875 -16.900 -37.916 -56.180 14 ASP B 69 ASP^? 16 HIS B 70 HIS^? 67 GLY B 86 GLY^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.16 A TRANSFORM -0.3181 0.0460 0.9469 0.1813 -0.9774 0.1084 -0.9305 -0.2062 -0.3026 5.839 34.102 61.430 A 316 ALA A 84 ALA~? A 317 GLY A 86 GLY~? A 318 ASP A 88 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 5 3 RMSD = 1.18 A TRANSFORM 0.3158 0.4837 -0.8163 -0.1481 -0.8247 -0.5459 0.9372 -0.2933 0.1887 48.375 64.913 -8.091 A 316 ALA B 84 ALA^? A 317 GLY B 86 GLY^? A 318 ASP B 88 ASP^? ULMNm 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 1.27 A TRANSFORM 0.5456 -0.5609 0.6226 0.5140 0.8108 0.2801 0.6620 -0.1672 -0.7307 -9.362 -25.929 84.420 D 107 ASP B 88 ASP^? D 246 ASP B 19 ASP^? D 275 HIS B 26 HIS^? ULMNm 3 1bhg_c02 BETA-GLUCURONIDASE user 1 3 RMSD = 1.28 A TRANSFORM 0.1440 -0.5351 -0.8324 -0.9663 0.1055 -0.2350 -0.2135 -0.8382 0.5019 110.883 118.675 81.827 A 451 GLU A 64 GLU^? A 504 TYR B 66 TYR^? A 540 GLU B 64 GLU^? ULMNm 3 1bgl_c08 BETA-GALACTOSIDASE user 1 3 RMSD = 1.28 A TRANSFORM -0.8767 0.4275 -0.2203 0.3216 0.1805 -0.9295 0.3576 0.8858 0.2957 49.979 168.697 -15.421 A 461 GLU A 64 GLU^? A 503 TYR B 66 TYR^? A 537 GLU B 64 GLU^? ULMNm 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.29 A TRANSFORM -0.5441 -0.1899 -0.8172 -0.4776 0.8710 0.1156 -0.6898 -0.4532 0.5646 69.878 7.621 76.876 D 107 ASP A 88 ASP~? D 246 ASP A 19 ASP~? D 275 HIS A 26 HIS~? ULMNm 3 1bgl_c08 BETA-GALACTOSIDASE user 5 3 RMSD = 1.30 A TRANSFORM 0.8729 0.2828 0.3975 -0.3143 -0.2973 0.9016 -0.3731 0.9120 0.1706 -20.153 124.277 9.389 A 461 GLU B 64 GLU^? A 503 TYR A 66 TYR^? A 537 GLU A 64 GLU^? ULMNm 3 1bhg_c02 BETA-GLUCURONIDASE user 5 3 RMSD = 1.31 A TRANSFORM -0.1286 -0.8728 0.4709 0.9673 -0.0057 0.2536 0.2186 -0.4881 -0.8450 74.183 47.772 115.475 A 451 GLU B 64 GLU^? A 504 TYR A 66 TYR^? A 540 GLU A 64 GLU^? ULMNm 3 1bgl_c08 BETA-GALACTOSIDASE user 2 3 RMSD = 1.31 A TRANSFORM -0.0169 0.4695 -0.8827 -0.5205 0.7497 0.4087 -0.8537 -0.4664 -0.2317 50.772 140.112 44.086 A 461 GLU A 64 GLU^? A 503 TYR B 66 TYR^? A 537 GLU B 104 GLU^? ULMNm 3 1bgl_c08 BETA-GALACTOSIDASE user 6 3 RMSD = 1.32 A TRANSFORM 0.0006 0.0068 1.0000 0.5381 0.8429 -0.0060 0.8429 -0.5381 0.0032 -13.855 124.637 -11.368 A 461 GLU B 64 GLU^? A 503 TYR A 66 TYR^? A 537 GLU A 104 GLU^? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.32 A TRANSFORM -0.0600 0.9977 -0.0307 -0.5288 -0.0578 -0.8468 0.8466 0.0345 -0.5311 45.097 59.290 -7.607 A 261 GLY B 51 GLY^? B 17 GLN B 16 GLN^? B 140 GLU B 56 GLU^? ULMNm 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 1.33 A TRANSFORM 0.7220 -0.0251 -0.6914 -0.3207 -0.8976 -0.3024 0.6130 -0.4400 0.6562 31.446 95.363 28.669 B 107 ASP B 88 ASP^? B 246 ASP B 19 ASP^? B 275 HIS B 26 HIS^? ULMNm 3 1bhg_c03 BETA-GLUCURONIDASE user 1 3 RMSD = 1.33 A TRANSFORM 0.2217 -0.9022 0.3700 -0.8865 -0.0285 0.4618 0.4061 0.4304 0.8062 72.296 49.232 71.109 B 451 GLU A 104 GLU^? B 504 TYR A 66 TYR^? B 540 GLU A 64 GLU^? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 2 3 RMSD = 1.35 A TRANSFORM -0.7018 0.0050 0.7123 0.4515 -0.7703 0.4502 -0.5510 -0.6376 -0.5384 12.106 10.788 145.819 C 14 ASP B 88 ASP^? C 16 HIS B 26 HIS^? C 67 GLY B 86 GLY^? ULMNm 3 1bhg_c03 BETA-GLUCURONIDASE user 4 3 RMSD = 1.35 A TRANSFORM -0.2375 -0.6098 -0.7562 0.8780 0.1982 -0.4356 -0.4155 0.7674 -0.4883 123.546 30.375 138.080 B 451 GLU B 104 GLU^? B 504 TYR B 66 TYR^? B 540 GLU B 64 GLU^? ULMNm 3 1ald_c00 ALDOLASE A (E.C.4.1.2.13) user 3 3 RMSD = 1.36 A TRANSFORM -0.5511 0.2064 0.8085 0.7197 -0.3728 0.5857 -0.4223 -0.9047 -0.0569 -63.876 9.511 61.830 33 ASP B 43 ASP^? 187 GLU B 104 GLU^? 229 LYS A 45 LYS^? ULMNm 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.36 A TRANSFORM -0.7471 -0.3012 0.5926 0.2744 -0.9517 -0.1378 -0.6054 -0.0597 -0.7937 27.478 72.568 111.832 B 107 ASP A 88 ASP~? B 246 ASP A 19 ASP~? B 275 HIS A 26 HIS~? ULMNm 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 RMSD = 1.37 A TRANSFORM -0.3905 0.5060 -0.7691 -0.8658 -0.4859 0.1199 0.3130 -0.7126 -0.6278 44.672 114.317 61.103 A 123 HIS B 31 HIS^? A 200 ASP B 43 ASP^? A 229 LYS A 45 LYS^? ULMNm 3 1dfo_c14 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 RMSD = 1.38 A TRANSFORM -0.4763 0.8595 0.1857 0.8556 0.5017 -0.1276 0.2029 -0.0981 0.9743 30.231 29.604 35.052 C 123 HIS B 31 HIS^? C 200 ASP B 43 ASP^? C 229 LYS A 45 LYS^? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 6 3 RMSD = 1.38 A TRANSFORM 0.3991 0.9122 0.0931 0.3219 -0.2345 0.9173 -0.8585 0.3361 0.3872 -34.613 28.319 51.725 179 ASP B 24 ASP^? 227 GLU B 56 GLU^? 289 ASP B 19 ASP^? ULMNm 3 1dfo_c13 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 RMSD = 1.38 A TRANSFORM -0.7573 -0.2648 0.5970 -0.5334 0.7783 -0.3314 0.3769 0.5694 0.7306 19.142 122.679 35.646 B 123 HIS B 31 HIS^? B 200 ASP B 43 ASP^? B 229 LYS A 45 LYS^? ULMNm 3 2tmd_c00 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.38 A TRANSFORM -0.9382 -0.1523 0.3107 0.1665 0.5884 0.7912 0.3033 -0.7941 0.5267 34.683 -21.235 -12.228 A 169 TYR A 14 TYR.? A 172 HIS A 31 HIS~? A 267 ASP A 88 ASP~? ULMNm 3 2tmd_c01 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.38 A TRANSFORM 0.9722 0.2189 -0.0826 0.1522 -0.3237 0.9338 -0.1777 0.9205 0.3480 26.853 -30.138 8.848 B 169 TYR A 14 TYR.? B 172 HIS A 31 HIS~? B 267 ASP A 88 ASP~? ULMNm 3 1dfo_c15 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 RMSD = 1.38 A TRANSFORM -0.7026 -0.6133 -0.3608 0.5162 -0.7883 0.3349 0.4898 -0.0490 -0.8704 40.475 21.019 69.609 D 123 HIS B 31 HIS^? D 200 ASP B 43 ASP^? D 229 LYS A 45 LYS^? ULMNm 3 1onr_c01 TRANSALDOLASE B user 3 3 RMSD = 1.39 A TRANSFORM -0.0907 -0.7523 -0.6525 0.9947 -0.1009 -0.0219 0.0493 0.6510 -0.7574 57.357 24.950 27.633 B 17 ASP B 43 ASP^? B 96 GLU A 64 GLU^? B 132 LYS A 45 LYS^? ULMNm 3 1onr_c00 TRANSALDOLASE B user 3 3 RMSD = 1.39 A TRANSFORM -0.0983 -0.7510 -0.6529 0.9925 -0.1222 -0.0088 0.0732 0.6489 -0.7574 57.699 -20.546 44.228 A 17 ASP B 43 ASP^? A 96 GLU A 64 GLU^? A 132 LYS A 45 LYS^? ULMNm 3 1ald_c00 ALDOLASE A (E.C.4.1.2.13) user 1 3 RMSD = 1.39 A TRANSFORM 0.5648 0.5459 -0.6189 -0.7113 -0.0583 -0.7005 0.4185 -0.8358 -0.3554 -46.501 93.503 48.494 33 ASP A 43 ASP^? 187 GLU A 104 GLU^? 229 LYS B 45 LYS^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.40 A TRANSFORM 0.7866 0.3829 -0.4844 0.4676 0.1429 0.8723 -0.4032 0.9127 0.0666 142.783 -10.560 -16.069 A 316 ALA A 84 ALA~? A 317 GLY A 86 GLY~? A 318 ASP A 88 ASP~? ULMNm 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 1 3 RMSD = 1.40 A TRANSFORM -0.8704 0.4657 -0.1600 -0.4274 -0.5532 0.7151 -0.2445 -0.6908 -0.6805 52.732 25.053 81.021 10 ASN A 29 ASN~? 20 HIS A 26 HIS~? 93 ASP A 88 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.41 A TRANSFORM -0.2723 -0.1362 -0.9525 -0.0067 0.9902 -0.1397 -0.9622 0.0316 0.2706 53.922 12.996 44.112 A 316 ALA A 84 ALA~? A 317 GLY A 82 GLY~? A 318 ASP A 80 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 4 3 RMSD = 1.41 A TRANSFORM 0.3019 -0.5959 0.7442 0.0015 0.7809 0.6247 0.9533 0.1875 -0.2366 -19.717 -13.484 8.083 A 316 ALA B 84 ALA^? A 317 GLY B 82 GLY^? A 318 ASP B 80 ASP^? ULMNm 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 2 3 RMSD = 1.41 A TRANSFORM 0.8600 0.3550 0.3666 0.4347 -0.1332 -0.8907 0.2674 -0.9253 0.2689 -13.523 55.307 33.898 10 ASN B 29 ASN^? 20 HIS B 26 HIS^? 93 ASP B 88 ASP^? ULMNm 3 1onr_c01 TRANSALDOLASE B user 1 3 RMSD = 1.42 A TRANSFORM 0.0855 -0.9711 0.2226 -0.9946 -0.0963 -0.0382 -0.0585 0.2182 0.9742 22.623 81.306 -28.388 B 17 ASP A 43 ASP^? B 96 GLU B 64 GLU^? B 132 LYS B 45 LYS^? ULMNm 3 1onr_c00 TRANSALDOLASE B user 1 3 RMSD = 1.42 A TRANSFORM 0.0931 -0.9702 0.2236 -0.9922 -0.1090 -0.0597 -0.0823 0.2163 0.9729 22.492 36.862 -10.411 A 17 ASP A 43 ASP^? A 96 GLU B 64 GLU^? A 132 LYS B 45 LYS^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 5 3 RMSD = 1.42 A TRANSFORM -0.7990 0.0955 0.5937 -0.4722 0.5118 -0.7177 0.3724 0.8538 0.3639 150.825 70.387 -47.274 A 316 ALA B 84 ALA^? A 317 GLY B 86 GLY^? A 318 ASP B 88 ASP^? ULMNm 3 2tmd_c00 TRIMETHYLAMINE DEHYDROGENASE user 4 3 RMSD = 1.43 A TRANSFORM 0.9405 0.0292 -0.3384 -0.1617 0.9147 -0.3703 -0.2987 -0.4030 -0.8651 4.016 26.803 51.525 A 169 TYR B 14 TYR^? A 172 HIS B 31 HIS^? A 267 ASP B 88 ASP^? ULMNm 3 2tmd_c01 TRIMETHYLAMINE DEHYDROGENASE user 4 3 RMSD = 1.43 A TRANSFORM -0.9729 0.1470 0.1782 -0.1454 0.2098 -0.9669 0.1795 0.9666 0.1827 72.391 42.095 4.192 B 169 TYR B 14 TYR^? B 172 HIS B 31 HIS^? B 267 ASP B 88 ASP^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.44 A TRANSFORM -0.8525 0.4904 -0.1812 0.1206 0.5217 0.8446 -0.5087 -0.6981 0.5039 21.554 -53.153 -45.163 B 250 ALA A 84 ALA~? B 251 GLY A 86 GLY~? B 252 ASP A 88 ASP~? ULMNm 3 3uby_d00 HYDROLASE/DNA user 3 3 RMSD = 1.44 A TRANSFORM 0.6404 -0.7587 0.1196 0.5005 0.2941 -0.8142 -0.5825 -0.5813 -0.5681 -3.577 5.294 68.190 A 162 TYR A 67 TYR^? A 164 MET A 7 MET?? A 165 TYR A 66 TYR^? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 RMSD = 1.46 A TRANSFORM -0.8324 -0.4176 -0.3643 0.2283 0.3406 -0.9121 -0.5049 0.8424 0.1882 25.336 9.744 -16.038 G 51 ALA B 93 ALA^? G 148 HIS B 26 HIS^? G 163 ASP B 88 ASP^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 3 3 RMSD = 1.46 A TRANSFORM 0.8356 0.3784 0.3983 -0.1379 0.8462 -0.5148 0.5318 -0.3752 -0.7592 -45.326 1.064 -31.816 B 250 ALA B 84 ALA^? B 251 GLY B 86 GLY^? B 252 ASP B 88 ASP^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.48 A TRANSFORM -0.1266 -0.1424 -0.9817 0.8216 -0.5695 -0.0234 0.5558 0.8095 -0.1891 54.926 -14.810 -17.212 A 250 ALA A 84 ALA~? A 251 GLY A 86 GLY~? A 252 ASP A 88 ASP~? ULMNm 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 1.49 A TRANSFORM 0.8810 0.4625 0.0998 -0.4684 0.8229 0.3216 -0.0666 0.3301 -0.9416 16.401 -72.560 14.551 D 49 ASP A 88 ASP~? D 86 HIS A 31 HIS~? D 250 ALA A 93 ALA~? ULMNm 3 2tmd_c01 TRIMETHYLAMINE DEHYDROGENASE user 3 3 RMSD = 1.49 A TRANSFORM 0.7640 0.1742 0.6213 -0.0156 -0.9576 0.2877 -0.6450 0.2295 0.7289 7.891 1.328 12.179 B 169 TYR A 27 TYR~? B 172 HIS A 31 HIS~? B 267 ASP A 88 ASP~? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 1.50 A TRANSFORM -0.2608 -0.8920 -0.3691 0.9654 -0.2390 -0.1045 -0.0049 0.3836 -0.9235 -9.709 23.938 40.101 E 49 ASP A 88 ASP~? E 86 HIS A 31 HIS~? E 250 ALA A 93 ALA~?