*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1db3_c01 GDP-MANNOSE 4,6-DEHYDRATASE user 3 3 RMSD = 0.80 A TRANSFORM 0.5997 -0.6198 0.5062 -0.7804 -0.3129 0.5413 -0.1771 -0.7197 -0.6713 39.757 62.993 70.575 A 132 THR B 5 THR^? A 156 TYR B 83 TYR^? A 160 LYS B 90 LYS^? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 1 3 RMSD = 0.91 A TRANSFORM 0.7479 0.0680 0.6604 0.3948 0.7541 -0.5248 -0.5337 0.6532 0.5371 -5.017 37.896 63.644 A 270 ASN A 104 ASN^? A 384 ASN A 58 ASN^? A 385 GLU A 61 GLU^? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 0.92 A TRANSFORM 0.0816 0.7590 -0.6459 0.9838 -0.1653 -0.0700 -0.1599 -0.6297 -0.7602 2.190 54.070 -8.628 D 465 GLY A 92 GLY^? D 501 ASP A 46 ASP.? E 367 TYR B 83 TYR^? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 0.93 A TRANSFORM -0.1793 -0.8333 0.5230 -0.5250 0.5306 0.6655 -0.8320 -0.1553 -0.5326 58.242 19.922 -29.668 D 465 GLY B 92 GLY^? D 501 ASP B 46 ASP^? E 367 TYR A 83 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 0.94 A TRANSFORM -0.7223 0.5737 -0.3863 -0.6777 -0.4757 0.5607 0.1379 0.6668 0.7324 -1.175 43.947 -58.123 A 465 GLY A 92 GLY^? A 501 ASP A 46 ASP.? B 367 TYR B 83 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 0.94 A TRANSFORM 0.2565 -0.9421 -0.2160 0.4842 0.3187 -0.8149 0.8365 0.1044 0.5379 59.487 22.118 -33.746 A 465 GLY B 92 GLY^? A 501 ASP B 46 ASP^? B 367 TYR A 83 TYR^? ULMNm 3 1db3_c01 GDP-MANNOSE 4,6-DEHYDRATASE user 1 3 RMSD = 0.97 A TRANSFORM -0.2937 0.9470 0.1299 0.5468 0.2779 -0.7898 -0.7841 -0.1609 -0.5995 -19.256 50.381 46.276 A 132 THR A 5 THR^? A 156 TYR A 83 TYR^? A 160 LYS A 90 LYS^? ULMNm 3 1euu_c00 SIALIDASE user 2 3 RMSD = 1.14 A TRANSFORM -0.1778 0.3254 -0.9287 -0.7518 -0.6539 -0.0852 -0.6350 0.6830 0.3609 2.387 15.864 -26.866 92 ASP B 7 ASP^? 260 GLU B 85 GLU^? 370 TYR B 83 TYR^? ULMNm 3 1sll_c00 SIALIDASE L user 2 3 RMSD = 1.17 A TRANSFORM -0.9286 0.0335 -0.3697 -0.2585 -0.7731 0.5793 -0.2664 0.6335 0.7265 0.372 38.171 -15.885 318 ASP B 7 ASP^? 595 GLU B 85 GLU^? 713 TYR B 83 TYR^? ULMNm 3 1sll_c00 SIALIDASE L user 1 3 RMSD = 1.18 A TRANSFORM 0.0971 -0.6815 -0.7254 0.1997 0.7274 -0.6566 0.9750 -0.0811 0.2067 32.475 -13.805 17.223 318 ASP A 7 ASP^? 595 GLU A 85 GLU^? 713 TYR A 83 TYR^? ULMNm 3 1stc_c02 CAMP-DEPENDENT PROTEIN KINASE user 1 3 RMSD = 1.18 A TRANSFORM 0.1226 -0.7742 -0.6209 -0.1233 0.6089 -0.7836 0.9848 0.1726 -0.0208 32.630 11.878 -3.371 E 166 ASP A 7 ASP^? E 168 LYS A 90 LYS^? E 201 THR A 5 THR^? ULMNm 3 1euu_c00 SIALIDASE user 1 3 RMSD = 1.21 A TRANSFORM -0.5059 -0.8623 0.0224 -0.0645 0.0120 -0.9978 0.8602 -0.5063 -0.0616 43.785 -4.434 24.970 92 ASP A 7 ASP^? 260 GLU A 85 GLU^? 370 TYR A 83 TYR^? ULMNm 3 1qrr_c01 SULFOLIPID BIOSYNTHESIS (SQD1) PROTEuser 1 3 RMSD = 1.23 A TRANSFORM -0.8172 -0.3524 -0.4561 -0.3627 0.9294 -0.0683 0.4480 0.1096 -0.8873 102.967 62.724 26.467 A 145 THR A 5 THR^? A 182 TYR A 83 TYR^? A 186 LYS A 90 LYS^? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 3 3 RMSD = 1.27 A TRANSFORM 0.0410 0.6064 0.7941 0.0194 -0.7951 0.6062 0.9990 -0.0094 -0.0444 -24.033 91.686 90.351 A 270 ASN B 104 ASN^? A 384 ASN B 58 ASN^? A 385 GLU B 61 GLU^? ULMNm 3 1qrr_c01 SULFOLIPID BIOSYNTHESIS (SQD1) PROTEuser 3 3 RMSD = 1.27 A TRANSFORM -0.1237 -0.5336 -0.8366 0.4774 -0.7711 0.4212 -0.8699 -0.3473 0.3502 114.606 126.684 35.015 A 145 THR B 5 THR^? A 182 TYR B 83 TYR^? A 186 LYS B 90 LYS^? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 1 3 RMSD = 1.29 A TRANSFORM -0.8170 -0.0665 0.5727 -0.1916 0.9682 -0.1609 -0.5438 -0.2412 -0.8038 -4.854 -7.979 34.146 A1132 ASP A 46 ASP.? A1134 ALA B 63 ALA^? A1137 ASN B 67 ASN^? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 2 3 RMSD = 1.30 A TRANSFORM 0.7155 -0.0169 -0.6984 0.4160 -0.7928 0.4455 -0.5612 -0.6093 -0.5602 2.998 59.475 46.330 A1132 ASP B 46 ASP^? A1134 ALA A 63 ALA^? A1137 ASN A 67 ASN^? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 1 3 RMSD = 1.31 A TRANSFORM -0.9982 0.0596 0.0008 0.0197 0.3431 -0.9391 -0.0563 -0.9374 -0.3437 28.678 10.558 53.146 A 10 ASP A 46 ASP.? A 186 ASN B 67 ASN^? A 260 ALA B 62 ALA^? ULMNm 3 1stc_c02 CAMP-DEPENDENT PROTEIN KINASE user 5 3 RMSD = 1.35 A TRANSFORM -0.8782 0.1778 -0.4440 -0.3178 -0.9107 0.2638 -0.3574 0.3728 0.8563 -7.569 65.642 -18.724 E 166 ASP B 7 ASP^? E 168 LYS B 90 LYS^? E 201 THR B 5 THR^? ULMNm 3 1fr8_c01 BETA 1,4 GALACTOSYLTRANSFERASE user 3 3 RMSD = 1.35 A TRANSFORM 0.6429 0.4406 0.6265 -0.6839 -0.0380 0.7286 0.3449 -0.8969 0.2769 -33.592 20.704 85.788 B 317 GLU B 110 GLU^? B 319 ASP B 114 ASP^? B 359 ARG B 118 ARG^? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 2 3 RMSD = 1.35 A TRANSFORM 0.4038 -0.5386 -0.7395 -0.5839 -0.7740 0.2449 -0.7043 0.3329 -0.6270 58.419 46.510 3.135 A 10 ASP B 46 ASP^? A 186 ASN A 67 ASN^? A 260 ALA A 62 ALA^? ULMNm 3 1kim_c00 THYMIDINE KINASE user 5 3 RMSD = 1.38 A TRANSFORM -0.7538 0.2887 -0.5903 -0.5976 0.0723 0.7985 0.2732 0.9547 0.1180 44.122 81.758 -5.390 A 83 GLU B 61 GLU^? A 163 ARG B 64 ARG^? A 222 ARG B 118 ARG^? ULMNm 3 3pta_d00 TRANSFERASE/DNA user 1 3 RMSD = 1.40 A TRANSFORM -0.7133 -0.6446 0.2751 0.6904 -0.5787 0.4341 -0.1206 0.4995 0.8579 6.569 -15.351 13.102 A 682 SER A 22 SER~? A 683 LYS A 24 LYS~? A 684 GLN A 25 GLN~? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 7 3 RMSD = 1.40 A TRANSFORM 0.5903 0.3068 0.7466 -0.1455 0.9503 -0.2754 -0.7940 0.0539 0.6056 -34.233 -26.672 13.086 C 124 ALA A 121 ALA^? C 126 ARG A 127 ARG^? C 138 GLU A 26 GLU~? ULMNm 3 1ylu_c01 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 4 3 RMSD = 1.41 A TRANSFORM 0.6066 0.7806 -0.1505 0.7893 -0.5686 0.2319 0.0954 -0.2594 -0.9610 0.336 27.152 100.093 B 14 LYS B 43 LYS^? B 74 LYS B 39 LYS^? B 165 GLU A 61 GLU^? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 2 3 RMSD = 1.42 A TRANSFORM 0.7050 0.6972 0.1301 -0.6772 0.7162 -0.1687 -0.2108 0.0309 0.9770 -24.770 41.005 101.146 B 109 ASP A 105 ASP^? B 182 GLU A 110 GLU^? B 286 ASN A 69 ASN^? ULMNm 3 1kqc_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 4 3 RMSD = 1.42 A TRANSFORM -0.1164 -0.9647 -0.2364 -0.9930 0.1083 0.0471 -0.0198 0.2402 -0.9705 56.977 -13.229 65.551 A 14 LYS B 43 LYS^? A 74 LYS B 39 LYS^? A 165 GLU A 61 GLU^? ULMNm 3 4hn5_d00 TRANSCRIPTION/DNA user 3 3 RMSD = 1.43 A TRANSFORM 0.8048 -0.5197 0.2866 -0.1892 -0.6823 -0.7061 0.5626 0.5141 -0.6475 21.039 55.819 14.310 B 442 LYS B 90 LYS^? B 443 VAL B 6 VAL^? B 447 ARG B 127 ARG^? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 7 3 RMSD = 1.43 A TRANSFORM -0.2166 -0.9721 -0.0905 0.5057 -0.1910 0.8413 -0.8351 0.1364 0.5330 32.913 -13.079 12.194 B 124 ALA A 121 ALA^? B 126 ARG A 127 ARG^? B 138 GLU A 26 GLU~? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 7 3 RMSD = 1.44 A TRANSFORM -0.3741 0.6823 -0.6280 0.5064 0.7177 0.4781 0.7769 -0.1392 -0.6140 -13.366 -36.112 72.380 F 124 ALA A 121 ALA^? F 126 ARG A 127 ARG^? F 138 GLU A 26 GLU~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 6 3 RMSD = 1.46 A TRANSFORM 0.8269 -0.0567 0.5595 0.4009 -0.6384 -0.6571 0.3944 0.7676 -0.5051 44.928 113.403 4.823 A 83 GLU B 61 GLU^? A 163 ARG B 118 ARG^? A 222 ARG B 64 ARG^? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 7 3 RMSD = 1.47 A TRANSFORM -0.2182 -0.9673 -0.1295 -0.5178 0.2272 -0.8248 0.8272 -0.1129 -0.5505 33.613 14.384 69.890 D 124 ALA A 121 ALA^? D 126 ARG A 127 ARG^? D 138 GLU A 26 GLU~? ULMNm 3 1kqc_c02 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 4 3 RMSD = 1.47 A TRANSFORM -0.1088 -0.9604 -0.2566 -0.9728 0.0497 0.2262 -0.2044 0.2743 -0.9397 50.046 17.758 27.983 C 14 LYS B 43 LYS^? C 74 LYS B 39 LYS^? C 165 GLU A 61 GLU^? ULMNm 3 1pjq_c03 SIROHEME SYNTHASE user 2 3 RMSD = 1.47 A TRANSFORM 0.2847 0.8943 -0.3452 0.1968 0.2979 0.9341 0.9382 -0.3339 -0.0912 -33.062 117.244 55.687 B 248 ASP A 114 ASP^? B 270 LYS A 109 LYS^? B 382 MET A 93 MET^? ULMNm 3 4hn5_d00 TRANSCRIPTION/DNA user 1 3 RMSD = 1.48 A TRANSFORM -0.4854 0.8083 0.3333 -0.7194 -0.1525 -0.6777 -0.4969 -0.5687 0.6555 -32.186 32.455 47.856 B 442 LYS A 90 LYS^? B 443 VAL A 6 VAL^? B 447 ARG A 127 ARG^? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.49 A TRANSFORM 0.9542 0.0242 0.2981 -0.1736 0.8565 0.4862 -0.2436 -0.5157 0.8214 57.569 -12.540 3.959 A 261 GLY A 27 GLY.? B 17 GLN A 25 GLN~? B 140 GLU A 26 GLU~? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 2 3 RMSD = 1.49 A TRANSFORM -0.1200 0.9866 -0.1108 0.9738 0.1387 0.1801 0.1930 -0.0863 -0.9774 -17.797 30.956 142.821 A 109 ASP A 105 ASP^? A 182 GLU A 110 GLU^? A 286 ASN A 69 ASN^? ULMNm 3 2dbt_c01 CHITINASE C user 4 3 RMSD = 1.49 A TRANSFORM -0.8614 0.5014 0.0813 0.0395 0.2256 -0.9734 -0.5065 -0.8353 -0.2141 26.258 87.296 59.853 B 147 GLU A 110 GLU^? B 156 GLU A 68 GLU^? B 194 ASN A 104 ASN^? ULMNm 3 1ylu_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 4 3 RMSD = 1.49 A TRANSFORM 0.4351 -0.8992 0.0467 0.8449 0.3898 -0.3663 0.3112 0.1989 0.9293 52.376 13.738 21.040 A 14 LYS B 43 LYS^? A 74 LYS B 39 LYS^? A 165 GLU A 61 GLU^? ULMNm 3 1kqc_c03 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 4 3 RMSD = 1.50 A TRANSFORM 0.1093 0.9600 0.2578 -0.9851 0.1393 -0.1013 -0.1331 -0.2429 0.9609 -34.477 25.619 -17.507 D 14 LYS B 43 LYS^? D 74 LYS B 39 LYS^? D 165 GLU A 61 GLU^? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 8 3 RMSD = 1.50 A TRANSFORM 0.5995 0.2733 0.7522 0.1382 -0.9611 0.2390 0.7883 -0.0394 -0.6140 -33.602 30.385 68.973 E 124 ALA A 121 ALA^? E 126 ARG A 127 ARG^? E 138 GLU A 26 GLU~?