*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 3nwu_o00 SERINE PROTEASE HTRA1 user 2 3 RMSD = 1.01 A TRANSFORM 0.8195 -0.5646 -0.0983 0.3027 0.2808 0.9108 -0.4866 -0.7762 0.4010 -24.635 -77.823 -30.401 A 220 HIS A 15 HIS.? A 250 ASP A 86 ASP.? A 328 SER A 38 SER^? ULMNm 3 3nwu_o01 SERINE PROTEASE HTRA1 user 2 3 RMSD = 1.04 A TRANSFORM 0.5593 0.7762 -0.2911 0.8065 -0.5907 -0.0257 -0.1919 -0.2204 -0.9563 -54.167 63.937 104.727 B 220 HIS A 15 HIS.? B 250 ASP A 86 ASP.? B 328 SER A 38 SER^? ULMNm 3 3nwu_o02 SERINE PROTEASE HTRA1 user 2 3 RMSD = 1.05 A TRANSFORM 0.3347 0.2024 0.9203 0.5924 0.7144 -0.3726 -0.7328 0.6699 0.1192 -172.214 53.590 -53.993 C 220 HIS A 15 HIS.? C 250 ASP A 86 ASP.? C 328 SER A 38 SER^? ULMNm 3 1bf2_c00 ISOAMYLASE user 5 3 RMSD = 1.09 A TRANSFORM -0.6655 0.5120 -0.5432 0.0282 0.7444 0.6671 0.7459 0.4286 -0.5099 156.891 -21.112 83.230 375 ASP A 81 ASP.? 435 GLU A 45 GLU^? 510 ASP A 86 ASP.? ULMNm 3 1m53_c03 ISOMALTULOSE SYNTHASE user 4 3 RMSD = 1.13 A TRANSFORM -0.5385 0.0480 0.8413 -0.1209 -0.9924 -0.0207 0.8339 -0.1129 0.5402 -80.363 57.319 3.597 A 241 ASP A 81 ASP.? A 295 GLU A 45 GLU^? A 369 ASP A 86 ASP.? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 1 3 RMSD = 1.14 A TRANSFORM 0.9813 0.0312 -0.1897 0.0780 -0.9666 0.2441 -0.1758 -0.2544 -0.9510 43.208 4.074 130.710 A 46 HIS A 75 HIS^? A 105 GLU A 109 GLU^? A 109 HIS A 105 HIS.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.16 A TRANSFORM -0.1592 0.3075 -0.9381 -0.9521 0.2034 0.2283 0.2610 0.9296 0.2604 130.593 -103.020 -200.584 A 420 ALA A 30 ALA.? B 182 GLY A 27 GLY.? B 183 GLY A 24 GLY.? ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.16 A TRANSFORM -0.8795 0.4473 -0.1625 -0.4186 -0.8895 -0.1829 -0.2263 -0.0928 0.9696 30.653 79.478 -37.966 C 107 ASP A 81 ASP.? C 246 ASP A 41 ASP.? C 275 HIS A 15 HIS.? ULMNm 3 1sll_c00 SIALIDASE L user 4 3 RMSD = 1.16 A TRANSFORM -0.3987 -0.7635 0.5080 -0.1103 -0.5101 -0.8530 0.9104 -0.3961 0.1192 -26.805 130.557 7.337 318 ASP A 115 ASP.? 595 GLU A 16 GLU.? 713 TYR A 39 TYR.? ULMNm 3 5cox_c06 CYCLOOXYGENASE-2 user 2 3 RMSD = 1.17 A TRANSFORM 0.0291 0.9899 -0.1389 -0.7918 -0.0620 -0.6076 -0.6100 0.1276 0.7820 52.453 141.675 -23.826 C 203 GLN A 58 GLN^? C 207 HIS A 70 HIS^? C 385 TYR A 95 TYR^? ULMNm 3 5cox_c05 CYCLOOXYGENASE-2 user 2 3 RMSD = 1.18 A TRANSFORM 0.1010 0.9874 -0.1221 0.6241 -0.1585 -0.7651 -0.7748 0.0011 -0.6322 59.418 112.481 108.267 B 203 GLN A 58 GLN^? B 207 HIS A 70 HIS^? B 385 TYR A 95 TYR^? ULMNm 3 5cox_c07 CYCLOOXYGENASE-2 user 2 3 RMSD = 1.18 A TRANSFORM -0.1465 -0.9793 0.1393 -0.6460 0.2014 0.7363 -0.7492 0.0179 -0.6621 23.576 -40.651 171.568 D 203 GLN A 58 GLN^? D 207 HIS A 70 HIS^? D 385 TYR A 95 TYR^? ULMNm 3 5cox_c04 CYCLOOXYGENASE-2 user 2 3 RMSD = 1.18 A TRANSFORM -0.0832 -0.9884 0.1267 0.7677 0.0175 0.6405 -0.6354 0.1506 0.7574 34.779 -77.771 -79.869 A 203 GLN A 58 GLN^? A 207 HIS A 70 HIS^? A 385 TYR A 95 TYR^? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 5 3 RMSD = 1.26 A TRANSFORM 0.7245 0.6659 0.1779 0.1827 -0.4344 0.8820 0.6646 -0.6066 -0.4364 6.326 -66.388 65.346 199 ASP A 81 ASP.? 255 GLU A 45 GLU^? 329 ASP A 86 ASP.? ULMNm 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 5 3 RMSD = 1.27 A TRANSFORM 0.5274 0.6025 0.5990 0.7365 0.0273 -0.6759 -0.4236 0.7976 -0.4294 -89.642 133.915 76.463 179 ASP A 81 ASP.? 204 GLU A 45 GLU^? 289 ASP A 86 ASP.? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 7 3 RMSD = 1.29 A TRANSFORM 0.9437 -0.3281 0.0411 -0.3071 -0.9158 -0.2588 0.1226 0.2316 -0.9651 -8.706 57.962 124.064 B 99 ARG A 83 ARG.? B 101 ASP A 86 ASP.? B 132 ASP A 81 ASP.? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 2 3 RMSD = 1.30 A TRANSFORM -0.4090 -0.8474 -0.3386 -0.3191 -0.2148 0.9231 -0.8549 0.4856 -0.1825 98.163 -31.390 59.324 A 228 ASP A 86 ASP.? A 260 ASP A 47 ASP^? A 329 ASP A 81 ASP.? ULMNm 3 1b6g_c00 HALOALKANE DEHALOGENASE user 1 3 RMSD = 1.30 A TRANSFORM 0.2026 0.0998 0.9742 0.9406 0.2570 -0.2220 -0.2725 0.9612 -0.0418 -92.148 32.907 15.233 124 ASP A 44 ASP.? 260 ASP A 86 ASP.? 289 HIS A 15 HIS.? ULMNm 3 2ag0_c08 BENZALDEHYDE LYASE user 1 3 RMSD = 1.31 A TRANSFORM -0.6518 0.6513 0.3885 -0.7574 -0.5856 -0.2888 0.0394 -0.4825 0.8750 -6.541 61.713 -96.634 B 29 HIS A 70 HIS^? B 50 GLU A 116 GLU~? B 113 GLN A 58 GLN^? ULMNm 3 2ag0_c04 BENZALDEHYDE LYASE user 1 3 RMSD = 1.31 A TRANSFORM -0.6518 0.6513 0.3885 -0.7574 -0.5856 -0.2888 0.0394 -0.4825 0.8750 -6.541 61.713 -96.634 B 29 HIS A 70 HIS^? B 50 GLU A 116 GLU~? B 113 GLN A 58 GLN^? ULMNm 3 2ag0_c11 BENZALDEHYDE LYASE user 1 3 RMSD = 1.31 A TRANSFORM -0.6614 0.7097 0.2424 0.7475 0.5975 0.2902 0.0611 0.3731 -0.9258 13.080 -67.499 141.187 D 29 HIS A 70 HIS^? D 50 GLU A 116 GLU~? D 113 GLN A 58 GLN^? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 RMSD = 1.31 A TRANSFORM -0.9369 0.3396 -0.0828 0.3243 0.9330 0.1560 0.1302 0.1193 -0.9843 36.352 -20.548 127.284 A 99 ARG A 83 ARG.? A 101 ASP A 86 ASP.? A 132 ASP A 81 ASP.? ULMNm 3 2ag0_c10 BENZALDEHYDE LYASE user 1 3 RMSD = 1.31 A TRANSFORM 0.7073 -0.6540 -0.2683 0.2024 0.5511 -0.8096 0.6773 0.5183 0.5221 101.106 97.928 -77.358 C 29 HIS A 70 HIS^? C 50 GLU A 116 GLU~? C 113 GLN A 58 GLN^? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 RMSD = 1.31 A TRANSFORM 0.9419 -0.3265 0.0784 -0.2986 -0.9213 -0.2493 0.1536 0.2114 -0.9653 -13.180 56.520 123.801 B 99 ARG A 83 ARG.? B 101 ASP A 86 ASP.? B 132 ASP A 81 ASP.? ULMNm 3 2ag0_c09 BENZALDEHYDE LYASE user 1 3 RMSD = 1.31 A TRANSFORM 0.6020 -0.7101 -0.3652 -0.1874 -0.5702 0.7998 -0.7762 -0.4131 -0.4763 117.563 -101.608 105.337 A 29 HIS A 70 HIS^? A 50 GLU A 116 GLU~? A 113 GLN A 58 GLN^? ULMNm 3 1eyi_c00 FRUCTOSE-1,6-BISPHOSPHATASE user 2 3 RMSD = 1.32 A TRANSFORM -0.0535 0.2873 0.9563 -0.3439 -0.9044 0.2525 0.9375 -0.3154 0.1472 -105.180 4.663 -7.624 A 68 ASP A 86 ASP.? A 74 ASP A 44 ASP.? A 98 GLU A 45 GLU^? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 7 3 RMSD = 1.32 A TRANSFORM -0.9371 0.3435 -0.0626 0.3332 0.9334 0.1335 0.1042 0.1042 -0.9891 33.998 -17.993 128.539 A 99 ARG A 83 ARG.? A 101 ASP A 86 ASP.? A 132 ASP A 81 ASP.? ULMNm 3 3s57_d00 OXIDOREDUCTASE/DNA user 1 3 RMSD = 1.38 A TRANSFORM -0.7849 -0.0156 0.6194 0.6084 -0.2090 0.7657 0.1175 0.9778 0.1735 -62.555 -111.668 -28.373 A 101 VAL A 74 VAL^? A 102 PHE A 72 PHE^? A 169 CYH A 11 CYH^? ULMNm 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 3 3 RMSD = 1.40 A TRANSFORM -0.4703 0.2748 0.8386 -0.8820 -0.1149 -0.4570 -0.0293 -0.9546 0.2964 -114.259 139.006 7.710 A 104 ILE A 82 ILE.? A 106 HIS A 15 HIS.? A 142 ASP A 81 ASP.? ULMNm 3 1j70_c01 ATP SULPHURYLASE user 5 3 RMSD = 1.42 A TRANSFORM -0.7791 0.3097 0.5451 -0.5066 -0.8231 -0.2564 0.3693 -0.4759 0.7982 -67.439 157.855 -81.908 B 197 ARG A 102 ARG^? B 201 HIS A 106 HIS.? B 204 HIS A 107 HIS^? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 3 3 RMSD = 1.42 A TRANSFORM 0.8745 0.4842 0.0276 -0.4295 0.7997 -0.4195 -0.2252 0.3550 0.9073 3.896 115.066 -82.796 A 228 ASP A 81 ASP.? A 256 GLU A 45 GLU^? A 329 ASP A 86 ASP.? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 4 3 RMSD = 1.42 A TRANSFORM -0.7646 -0.6043 -0.2243 0.1617 0.1569 -0.9743 0.6239 -0.7812 -0.0222 57.890 179.217 34.390 179 ASP A 86 ASP.? 227 GLU A 109 GLU^? 289 ASP A 81 ASP.? ULMNm 3 1j70_c02 ATP SULPHURYLASE user 5 3 RMSD = 1.43 A TRANSFORM 0.6216 0.7709 0.1390 0.6904 -0.4553 -0.5622 -0.3701 0.4454 -0.8152 -10.201 68.630 127.531 C 197 ARG A 102 ARG^? C 201 HIS A 106 HIS.? C 204 HIS A 107 HIS^? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 2 3 RMSD = 1.44 A TRANSFORM 0.9594 0.2497 0.1313 -0.0144 0.5082 -0.8611 -0.2817 0.8243 0.4912 -6.629 165.068 -40.113 A 228 ASP A 81 ASP.? A 261 ASP A 41 ASP.? A 329 ASP A 86 ASP.? ULMNm 3 1ez2_c00 PHOSPHOTRIESTERASE user 3 3 RMSD = 1.45 A TRANSFORM 0.9416 -0.3048 0.1433 -0.1479 0.0079 0.9890 -0.3026 -0.9524 -0.0376 20.235 -119.068 64.673 A 233 ASP A 86 ASP.? A 254 HIS A 15 HIS.? A 301 ASP A 44 ASP.? ULMNm 3 1b6g_c00 HALOALKANE DEHALOGENASE user 2 3 RMSD = 1.45 A TRANSFORM 0.6800 -0.4689 0.5637 -0.1556 0.6589 0.7359 -0.7165 -0.5882 0.3751 -41.232 -67.676 5.908 124 ASP A 81 ASP.? 260 ASP A 86 ASP.? 289 HIS A 15 HIS.? ULMNm 3 1cwy_c00 AMYLOMALTASE user 3 3 RMSD = 1.47 A TRANSFORM -0.1576 0.8935 0.4206 0.1746 0.4444 -0.8787 -0.9720 -0.0650 -0.2260 -109.084 68.521 51.163 A 293 ASP A 81 ASP.? A 340 GLU A 45 GLU^? A 395 ASP A 86 ASP.? ULMNm 3 3nwu_o02 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.48 A TRANSFORM -0.8395 0.4202 -0.3446 0.4721 0.8779 -0.0795 0.2691 -0.2294 -0.9354 -2.234 17.208 70.576 C 220 HIS A 15 HIS.? C 250 ASP A 44 ASP.? C 328 SER A 38 SER^? ULMNm 3 3nwu_o00 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.48 A TRANSFORM -0.2733 0.3627 0.8909 -0.7957 0.4352 -0.4212 -0.5405 -0.8241 0.1696 -140.217 99.965 -0.317 A 220 HIS A 15 HIS.? A 250 ASP A 44 ASP.? A 328 SER A 38 SER^? ULMNm 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 4 3 RMSD = 1.48 A TRANSFORM 0.5952 -0.5367 -0.5981 0.6572 0.7534 -0.0219 0.4623 -0.3800 0.8011 53.064 38.987 -74.203 A 104 ILE A 82 ILE.? A 106 HIS A 15 HIS.? A 142 ASP A 86 ASP.? ULMNm 3 1ez2_c01 PHOSPHOTRIESTERASE user 3 3 RMSD = 1.48 A TRANSFORM 0.9234 -0.3453 0.1679 0.2010 0.0623 -0.9776 0.3271 0.9364 0.1269 19.793 80.327 -39.741 B 233 ASP A 86 ASP.? B 254 HIS A 15 HIS.? B 301 ASP A 44 ASP.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 4 3 RMSD = 1.48 A TRANSFORM -0.4435 -0.7549 0.4831 -0.6831 -0.0642 -0.7275 0.5802 -0.6527 -0.4872 -21.694 138.171 145.477 A 241 ASP A 44 ASP.? A 265 GLU A 91 GLU.? A 369 ASP A 86 ASP.? ULMNm 3 3nwu_o01 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.48 A TRANSFORM 0.4254 0.8876 -0.1764 -0.3454 0.3394 0.8750 0.8365 -0.3113 0.4509 -67.900 -39.924 -82.016 B 220 HIS A 15 HIS.? B 250 ASP A 44 ASP.? B 328 SER A 38 SER^? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 6 3 RMSD = 1.49 A TRANSFORM 0.0775 -0.9401 0.3321 -0.9873 -0.1186 -0.1054 0.1385 -0.3197 -0.9373 -12.021 38.974 131.488 B 99 ARG A 83 ARG.? B 101 ASP A 86 ASP.? B 132 ASP A 44 ASP.? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 3 3 RMSD = 1.49 A TRANSFORM -0.0696 0.9267 -0.3694 0.9971 0.0766 0.0044 0.0323 -0.3680 -0.9293 39.621 -0.400 132.701 A 99 ARG A 83 ARG.? A 101 ASP A 86 ASP.? A 132 ASP A 44 ASP.? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 6 3 RMSD = 1.50 A TRANSFORM -0.0637 0.9312 -0.3589 0.9979 0.0639 -0.0114 0.0123 -0.3588 -0.9333 38.280 1.779 133.269 A 99 ARG A 83 ARG.? A 101 ASP A 86 ASP.? A 132 ASP A 44 ASP.? ULMNm 3 5cox_c04 CYCLOOXYGENASE-2 user 1 3 RMSD = 1.50 A TRANSFORM 0.2428 -0.9701 0.0038 0.9693 0.2425 -0.0397 0.0376 0.0133 0.9992 39.766 2.882 -133.548 A 203 GLN A 58 GLN^? A 207 HIS A 70 HIS^? A 385 TYR A 69 TYR^? ULMNm 3 5cox_c07 CYCLOOXYGENASE-2 user 1 3 RMSD = 1.50 A TRANSFORM 0.2049 -0.9772 0.0557 0.0056 0.0581 0.9983 -0.9788 -0.2042 0.0174 22.674 -96.197 91.920 D 203 GLN A 58 GLN^? D 207 HIS A 70 HIS^? D 385 TYR A 69 TYR^? ULMNm 3 1j70_c00 ATP SULPHURYLASE user 5 3 RMSD = 1.50 A TRANSFORM -0.9096 -0.3371 0.2428 -0.1639 0.8283 0.5358 -0.3817 0.4476 -0.8087 -35.021 72.190 100.226 A 197 ARG A 102 ARG^? A 201 HIS A 106 HIS.? A 204 HIS A 107 HIS^?