*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 RMSD = 0.42 A TRANSFORM -0.8531 0.4381 -0.2832 0.4816 0.8701 -0.1047 0.2005 -0.2257 -0.9533 37.317 -34.375 52.600 B 99 ARG A 71 ARG.? B 101 ASP A 69 ASP.? B 132 ASP A 55 ASP~? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 RMSD = 0.44 A TRANSFORM 0.8482 -0.4503 0.2790 -0.4714 -0.8818 0.0100 0.2415 -0.1400 -0.9602 -13.639 63.658 47.979 A 99 ARG A 71 ARG.? A 101 ASP A 69 ASP.? A 132 ASP A 55 ASP~? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 RMSD = 0.45 A TRANSFORM -0.8419 0.4410 -0.3111 0.4934 0.8625 -0.1127 0.2186 -0.2484 -0.9437 37.972 -34.009 52.277 B 99 ARG A 71 ARG.? B 101 ASP A 69 ASP.? B 132 ASP A 55 ASP~? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 RMSD = 0.45 A TRANSFORM 0.8434 -0.4575 0.2817 -0.4723 -0.8812 -0.0172 0.2561 -0.1186 -0.9593 -13.233 64.785 46.680 A 99 ARG A 71 ARG.? A 101 ASP A 69 ASP.? A 132 ASP A 55 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 11 3 RMSD = 0.99 A TRANSFORM 0.9651 0.1460 0.2172 0.1014 -0.9737 0.2040 0.2413 -0.1748 -0.9546 -4.966 48.568 42.942 A 229 ALA A 50 ALA~? A 257 ALA A 54 ALA~? A 328 ASP A 69 ASP.? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.07 A TRANSFORM -0.1606 -0.8274 -0.5382 0.6617 -0.4948 0.5633 -0.7324 -0.2656 0.6270 68.224 -18.960 78.027 D 124 ALA A 14 ALA~? D 126 ARG A 19 ARG.? D 138 GLU A 10 GLU~? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.08 A TRANSFORM 0.6867 0.0599 0.7244 -0.2715 0.9456 0.1792 -0.6743 -0.3197 0.6657 -62.955 -46.330 77.433 F 124 ALA A 14 ALA~? F 126 ARG A 19 ARG.? F 138 GLU A 10 GLU~? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.11 A TRANSFORM -0.5286 0.8283 -0.1859 -0.5307 -0.4933 -0.6892 -0.6626 -0.2657 0.7003 -21.852 77.244 72.486 E 124 ALA A 14 ALA~? E 126 ARG A 19 ARG.? E 138 GLU A 10 GLU~? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.12 A TRANSFORM -0.1572 -0.8261 -0.5411 -0.6505 0.4989 -0.5727 0.7431 0.2620 -0.6158 68.156 21.194 3.665 B 124 ALA A 14 ALA~? B 126 ARG A 19 ARG.? B 138 GLU A 10 GLU~? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.12 A TRANSFORM -0.5345 0.8179 -0.2130 0.5248 0.5187 0.6749 0.6625 0.2490 -0.7065 -20.176 -75.176 10.750 C 124 ALA A 14 ALA~? C 126 ARG A 19 ARG.? C 138 GLU A 10 GLU~? ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 1 3 RMSD = 1.14 A TRANSFORM -0.3689 0.9284 0.0444 0.8819 0.3345 0.3321 0.2935 0.1617 -0.9422 -39.796 0.189 62.440 A 53 SER A 28 SER~? A 54 PRO A 27 PRO~? A 96 ASP A 29 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.20 A TRANSFORM -0.6539 -0.7348 -0.1804 0.6665 -0.4466 -0.5969 0.3580 -0.5105 0.7818 113.357 30.815 1.211 A 67 ASP A 17 ASP~? A 68 ALA A 18 ALA~? A 72 LEU A 15 LEU~? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 1.33 A TRANSFORM 0.7953 -0.4858 -0.3626 -0.4993 -0.8642 0.0629 -0.3439 0.1310 -0.9298 10.560 43.939 60.061 B 99 ARG A 71 ARG.? B 101 ASP A 55 ASP~? B 132 ASP A 69 ASP.? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 2 3 RMSD = 1.34 A TRANSFORM 0.9386 -0.1993 0.2816 0.2487 -0.1750 -0.9527 0.2392 0.9642 -0.1146 -5.089 105.202 -3.209 A 228 ASP A 69 ASP.? A 260 ASP A 5 ASP~? A 329 ASP A 55 ASP~? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 1.35 A TRANSFORM -0.7991 0.4975 0.3375 0.4604 0.8675 -0.1886 -0.3866 0.0047 -0.9222 13.367 -11.903 63.821 A 99 ARG A 71 ARG.? A 101 ASP A 55 ASP~? A 132 ASP A 69 ASP.? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.36 A TRANSFORM 0.7470 -0.4103 -0.5231 0.0562 -0.7451 0.6646 -0.6624 -0.5258 -0.5336 3.924 34.514 213.108 A 70 ALA A 56 ALA~? A 126 LEU A 53 LEU~? A 158 GLU A 9 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.36 A TRANSFORM -0.4798 0.7990 -0.3625 0.6145 0.0111 -0.7888 -0.6262 -0.6013 -0.4963 -33.911 12.105 215.389 B 70 ALA A 56 ALA~? B 126 LEU A 53 LEU~? B 158 GLU A 9 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.36 A TRANSFORM -0.3336 -0.4569 0.8246 -0.7390 0.6698 0.0722 -0.5853 -0.5853 -0.5611 3.429 -8.516 214.663 C 70 ALA A 56 ALA~? C 126 LEU A 53 LEU~? C 158 GLU A 9 GLU~? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 1.36 A TRANSFORM 0.8138 -0.4806 -0.3269 -0.4853 -0.8713 0.0729 -0.3198 0.0993 -0.9423 8.334 43.037 60.628 B 99 ARG A 71 ARG.? B 101 ASP A 55 ASP~? B 132 ASP A 69 ASP.? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 1.38 A TRANSFORM -0.8091 0.4919 0.3216 0.4633 0.8705 -0.1660 -0.3616 0.0147 -0.9322 14.365 -13.024 63.189 A 99 ARG A 71 ARG.? A 101 ASP A 55 ASP~? A 132 ASP A 69 ASP.? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 5 3 RMSD = 1.43 A TRANSFORM -0.4343 -0.6205 0.6530 0.8584 -0.5047 0.0913 0.2729 0.6002 0.7518 11.617 -11.563 -42.529 B 124 ALA A 54 ALA~? B 126 ARG A 71 ARG.? B 138 GLU A 60 GLU^? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 5 3 RMSD = 1.44 A TRANSFORM -0.4885 0.7927 -0.3647 0.7927 0.2286 -0.5651 -0.3645 -0.5651 -0.7401 -7.047 -13.216 126.204 F 124 ALA A 54 ALA~? F 126 ARG A 71 ARG.? F 138 GLU A 60 GLU^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 8 3 RMSD = 1.45 A TRANSFORM -0.4053 0.7385 0.5388 0.5119 -0.3050 0.8031 0.7574 0.6013 -0.2544 8.565 -8.728 -30.536 A 229 ALA A 49 ALA~? A 257 ALA A 50 ALA~? A 328 ASP A 55 ASP~? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 5 3 RMSD = 1.46 A TRANSFORM 0.9422 -0.1747 -0.2860 0.0049 -0.8462 0.5329 -0.3351 -0.5035 -0.7964 -18.934 17.489 124.809 E 124 ALA A 54 ALA~? E 126 ARG A 71 ARG.? E 138 GLU A 60 GLU^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 1.47 A TRANSFORM -0.3499 -0.8925 -0.2848 -0.5546 0.4423 -0.7048 0.7550 -0.0887 -0.6497 85.692 59.736 41.176 A 316 ALA A 56 ALA~? A 317 GLY A 57 GLY.? A 318 ASP A 55 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 4 3 RMSD = 1.47 A TRANSFORM -0.3110 0.6887 -0.6550 0.9477 0.1731 -0.2680 -0.0712 -0.7041 -0.7065 63.087 -23.637 71.796 A 67 ASP A 55 ASP~? A 68 ALA A 54 ALA~? A 72 LEU A 53 LEU~? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 5 3 RMSD = 1.47 A TRANSFORM 0.9434 -0.1442 -0.2987 -0.0409 0.8431 -0.5362 0.3292 0.5181 0.7895 -19.430 -13.426 -42.602 C 124 ALA A 54 ALA~? C 126 ARG A 71 ARG.? C 138 GLU A 60 GLU^? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 5 3 RMSD = 1.47 A TRANSFORM -0.4419 -0.6226 0.6458 -0.8509 0.5190 -0.0818 -0.2842 -0.5857 -0.7591 12.249 12.893 124.981 D 124 ALA A 54 ALA~? D 126 ARG A 71 ARG.? D 138 GLU A 60 GLU^?