*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2dbt_c02 CHITINASE C user 6 3 RMSD = 0.86 A TRANSFORM 0.1514 0.9780 0.1432 0.3116 -0.1847 0.9321 -0.9381 0.0965 0.3327 -31.527 -0.131 31.063 C 147 GLU B 102 GLU^? C 156 GLU B 99 GLU.? C 194 ASN B 76 ASN.? ULMNm 3 2dbt_c02 CHITINASE C user 3 3 RMSD = 0.88 A TRANSFORM -0.2214 -0.9546 -0.1995 -0.8740 0.2849 -0.3935 -0.4325 -0.0872 0.8974 124.711 9.103 26.206 C 147 GLU A 102 GLU^? C 156 GLU A 99 GLU.? C 194 ASN A 76 ASN.? ULMNm 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.89 A TRANSFORM 0.0282 0.5845 -0.8109 -0.0681 0.8105 0.5818 -0.9973 -0.0388 -0.0626 33.389 -17.725 76.165 B 98 SER A 140 SER~? B 123 HIS A 144 HIS~? B 172 ASP B 62 ASP.? ULMNm 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.89 A TRANSFORM 0.1164 0.5035 0.8561 -0.3239 -0.7956 0.5119 -0.9389 0.3369 -0.0705 62.893 84.909 96.095 K 98 SER A 140 SER~? K 123 HIS A 144 HIS~? K 172 ASP B 62 ASP.? ULMNm 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.89 A TRANSFORM -0.1521 -0.9158 -0.3717 -0.2594 0.3998 -0.8791 -0.9537 0.0373 0.2983 135.638 71.370 55.719 D 98 SER A 140 SER~? D 123 HIS A 144 HIS~? D 172 ASP B 62 ASP.? ULMNm 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.89 A TRANSFORM 0.1386 0.9832 0.1188 -0.1496 -0.0978 0.9839 -0.9790 0.1541 -0.1336 52.898 10.924 114.529 L 98 SER A 140 SER~? L 123 HIS A 144 HIS~? L 172 ASP B 62 ASP.? ULMNm 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.90 A TRANSFORM -0.1840 -0.8246 -0.5349 -0.2299 0.5652 -0.7923 -0.9557 0.0228 0.2935 222.073 27.804 107.128 H 98 SER A 140 SER~? H 123 HIS A 144 HIS~? H 172 ASP B 62 ASP.? ULMNm 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.90 A TRANSFORM 0.0110 0.7192 -0.6947 -0.0763 0.6934 0.7165 -0.9970 -0.0451 -0.0625 106.304 -40.898 127.025 M 98 SER A 140 SER~? M 123 HIS A 144 HIS~? M 172 ASP B 62 ASP.? ULMNm 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.90 A TRANSFORM 0.0236 -0.3638 0.9312 -0.3972 -0.8582 -0.3252 -0.9174 0.3622 0.1648 127.647 122.198 85.587 J 98 SER A 140 SER~? J 123 HIS A 144 HIS~? J 172 ASP B 62 ASP.? ULMNm 3 3qwd_o05 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.90 A TRANSFORM 0.0672 -0.1880 0.9799 -0.3947 -0.9070 -0.1470 -0.9163 0.3769 0.1352 24.707 147.092 35.141 F 98 SER A 140 SER~? F 123 HIS A 144 HIS~? F 172 ASP B 62 ASP.? ULMNm 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.91 A TRANSFORM 0.1682 0.6458 0.7448 -0.3068 -0.6837 0.6621 -0.9368 0.3399 -0.0832 -31.914 98.379 46.304 G 98 SER A 140 SER~? G 123 HIS A 144 HIS~? G 172 ASP B 62 ASP.? ULMNm 3 2dbt_c00 CHITINASE C user 7 3 RMSD = 0.91 A TRANSFORM -0.4789 -0.8749 0.0728 -0.5477 0.2329 -0.8036 -0.6861 0.4247 0.5907 145.563 46.860 -12.169 A 147 GLU B 102 GLU^? A 156 GLU B 99 GLU.? A 194 ASN B 76 ASN.? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.91 A TRANSFORM 0.1371 0.9879 -0.0726 -0.1088 0.0878 0.9902 -0.9846 0.1279 -0.1195 -27.482 23.084 66.394 A 98 SER A 140 SER~? A 123 HIS A 144 HIS~? A 172 ASP B 62 ASP.? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.91 A TRANSFORM 0.1371 0.9879 -0.0726 -0.1088 0.0878 0.9902 -0.9846 0.1279 -0.1195 -27.482 23.084 66.394 A 98 SER A 140 SER~? A 123 HIS A 144 HIS~? A 172 ASP B 62 ASP.? ULMNm 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.91 A TRANSFORM -0.1365 -0.0738 -0.9879 -0.0976 0.9934 -0.0607 -0.9858 -0.0882 0.1428 180.793 -34.136 122.553 N 98 SER A 140 SER~? N 123 HIS A 144 HIS~? N 172 ASP B 62 ASP.? ULMNm 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.92 A TRANSFORM -0.1155 -0.2553 -0.9600 -0.1331 0.9617 -0.2397 -0.9843 -0.1001 0.1450 105.907 2.876 72.938 C 98 SER A 140 SER~? C 123 HIS A 144 HIS~? C 172 ASP B 62 ASP.? ULMNm 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.92 A TRANSFORM -0.1298 -0.9391 0.3183 -0.3765 -0.2503 -0.8920 -0.9173 0.2356 0.3210 197.890 96.954 89.383 I 98 SER A 140 SER~? I 123 HIS A 144 HIS~? I 172 ASP B 62 ASP.? ULMNm 3 2dbt_c00 CHITINASE C user 3 3 RMSD = 0.93 A TRANSFORM -0.0355 0.8650 0.5006 0.7185 -0.3261 0.6144 -0.6947 -0.3814 0.6099 1.033 41.311 47.830 A 147 GLU A 102 GLU^? A 156 GLU A 99 GLU.? A 194 ASN A 76 ASN.? ULMNm 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 0.93 A TRANSFORM -0.0687 -0.8892 0.4524 -0.3895 -0.3935 -0.8327 -0.9185 0.2334 0.3193 99.812 133.181 39.672 E 98 SER A 140 SER~? E 123 HIS A 144 HIS~? E 172 ASP B 62 ASP.? ULMNm 3 2dbt_c01 CHITINASE C user 7 3 RMSD = 0.98 A TRANSFORM 0.6946 0.6538 -0.3000 -0.4434 0.0607 -0.8943 0.5665 -0.7542 -0.3320 -12.228 104.264 54.993 B 147 GLU B 102 GLU^? B 156 GLU B 99 GLU.? B 194 ASN B 76 ASN.? ULMNm 3 2dbt_c01 CHITINASE C user 3 3 RMSD = 0.98 A TRANSFORM 0.3032 -0.6622 -0.6852 0.8355 -0.1611 0.5254 0.4583 0.7318 -0.5044 99.047 73.347 -50.755 B 147 GLU A 102 GLU^? B 156 GLU A 99 GLU.? B 194 ASN A 76 ASN.? ULMNm 3 1kim_c00 THYMIDINE KINASE user 3 3 RMSD = 1.01 A TRANSFORM 0.8710 -0.3824 0.3084 0.4846 0.7718 -0.4117 0.0806 -0.5081 -0.8575 61.234 28.974 103.209 A 83 GLU B 122 GLU~? A 163 ARG A 123 ARG~? A 222 ARG A 126 ARG~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 1 3 RMSD = 1.03 A TRANSFORM -0.1500 0.3651 -0.9188 0.4452 -0.8048 -0.3925 0.8828 0.4679 0.0418 45.458 147.369 -0.278 A 83 GLU A 122 GLU~? A 163 ARG B 123 ARG~? A 222 ARG B 126 ARG~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 11 3 RMSD = 1.08 A TRANSFORM -0.6850 0.7218 0.0987 -0.6538 -0.6689 0.3537 -0.3213 -0.1778 -0.9301 41.803 106.683 94.019 B 550 GLN B 130 GLN~? B 591 LEU B 127 LEU~? B 633 GLU A 112 GLU~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 10 3 RMSD = 1.12 A TRANSFORM 0.9339 0.0129 -0.3573 0.1163 -0.9559 0.2695 0.3381 0.2933 0.8943 53.687 105.571 -2.981 C1050 GLN B 130 GLN~? C1091 LEU B 127 LEU~? C1133 GLU A 112 GLU~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 11 3 RMSD = 1.16 A TRANSFORM 0.5113 0.7309 -0.4521 0.8203 -0.5720 0.0029 0.2565 0.3723 0.8920 -19.191 73.195 15.956 A 50 GLN B 130 GLN~? A 91 LEU B 127 LEU~? A 133 GLU A 112 GLU~? ULMNm 3 1bhg_c04 BETA-GLUCURONIDASE user 3 3 RMSD = 1.17 A TRANSFORM 0.5159 0.0869 0.8522 -0.8556 0.0018 0.5177 -0.0435 0.9962 -0.0753 46.374 84.063 4.027 A 382 ARG B 126 ARG~? A 451 GLU A 116 GLU~? A 540 GLU A 112 GLU~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 8 3 RMSD = 1.20 A TRANSFORM -0.7045 0.6988 -0.1244 0.6013 0.6807 0.4185 -0.3771 -0.2200 0.8997 -2.006 -21.786 78.163 A 50 GLN B 130 GLN~? A 91 LEU B 127 LEU~? A 133 GLU A 112 GLU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.23 A TRANSFORM -0.5948 0.3206 -0.7372 -0.3828 -0.9193 -0.0910 0.7069 -0.2281 -0.6695 42.220 99.947 21.874 A 67 ASP A 92 ASP.? A 68 ALA A 91 ALA.? A 72 LEU A 39 LEU^? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 6 3 RMSD = 1.25 A TRANSFORM -0.2482 -0.6862 0.6838 -0.4287 0.7108 0.5577 0.8687 0.1548 0.4705 128.537 -4.127 22.853 B 550 GLN A 130 GLN~? B 591 LEU A 127 LEU~? B 633 GLU B 112 GLU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 6 3 RMSD = 1.26 A TRANSFORM 0.6701 -0.2835 0.6860 0.0777 0.9459 0.3151 0.7382 0.1579 -0.6559 39.712 -55.119 -7.749 A 67 ASP B 92 ASP.? A 68 ALA B 91 ALA.? A 72 LEU B 39 LEU^? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 5 3 RMSD = 1.27 A TRANSFORM 0.5108 -0.0688 -0.8569 -0.2000 0.9599 -0.1963 -0.8361 -0.2717 -0.4766 76.452 -23.482 84.729 C1050 GLN A 130 GLN~? C1091 LEU A 127 LEU~? C1133 GLU B 112 GLU~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 4 3 RMSD = 1.29 A TRANSFORM -0.0333 -0.6715 0.7403 -0.3387 -0.6892 -0.6405 -0.9403 0.2721 0.2045 72.722 116.330 63.807 A 50 GLN A 130 GLN~? A 91 LEU A 127 LEU~? A 133 GLU B 112 GLU~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 6 3 RMSD = 1.30 A TRANSFORM 0.4967 -0.7712 -0.3982 0.1647 0.5342 -0.8291 -0.8522 -0.3462 -0.3924 92.357 17.331 112.404 A 50 GLN A 130 GLN~? A 91 LEU A 127 LEU~? A 133 GLU B 112 GLU~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 1 3 RMSD = 1.31 A TRANSFORM -0.3869 0.7590 0.5237 -0.3006 0.4330 -0.8498 0.8717 0.4862 -0.0606 -55.369 -15.032 -27.026 A 271 PRO A 119 PRO.? A 272 LEU A 121 LEU~? A 276 ARG A 123 ARG~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 3 3 RMSD = 1.32 A TRANSFORM 0.8469 -0.4718 -0.2451 0.2686 -0.0182 0.9631 0.4589 0.8815 -0.1114 73.693 -14.561 -95.786 A 37 ASP A 92 ASP.? A 56 ILE A 61 ILE^? A 82 TYR A 94 TYR^? ULMNm 3 1h19_c00 LEUKOTRIENE A-4 HYDROLASE user 1 3 RMSD = 1.32 A TRANSFORM -0.4237 -0.0001 0.9058 0.7628 -0.5393 0.3567 -0.4885 -0.8421 -0.2286 32.718 40.468 89.008 A 271 GLN A 28 GLN^? A 296 GLU A 110 GLU~? A 383 TYR A 49 TYR^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 3 3 RMSD = 1.35 A TRANSFORM 0.8464 -0.4693 -0.2515 0.2596 -0.0486 0.9645 0.4649 0.8817 -0.0808 76.390 -28.004 -123.769 B 37 ASP A 92 ASP.? B 56 ILE A 61 ILE^? B 82 TYR A 94 TYR^? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 5 3 RMSD = 1.35 A TRANSFORM 0.3189 0.4494 -0.8345 -0.9323 -0.0097 -0.3616 0.1706 -0.8933 -0.4159 25.723 29.332 47.056 A 37 ASP B 92 ASP.? A 56 ILE B 61 ILE^? A 82 TYR B 94 TYR^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.37 A TRANSFORM 0.1003 -0.1855 0.9775 0.9947 0.0387 -0.0947 0.0203 -0.9819 -0.1884 28.601 22.548 124.368 A 316 ALA A 20 ALA~? A 317 GLY A 21 GLY~? A 318 ASP A 19 ASP~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 4 3 RMSD = 1.37 A TRANSFORM -0.6102 -0.7171 0.3369 0.7797 -0.4680 0.4160 0.1406 -0.5165 -0.8447 62.330 10.680 75.141 A 271 PRO B 119 PRO.? A 272 LEU B 121 LEU~? A 276 ARG B 123 ARG~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 5 3 RMSD = 1.38 A TRANSFORM 0.8062 -0.3004 0.5097 -0.3316 0.4841 0.8098 0.4900 0.8218 -0.2907 37.860 -22.685 -43.051 A 67 ASP B 81 ASP~? A 68 ALA B 91 ALA.? A 72 LEU B 39 LEU^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 6 3 RMSD = 1.38 A TRANSFORM 0.3251 0.4472 -0.8332 -0.9351 0.0207 -0.3538 0.1410 -0.8942 -0.4250 28.519 11.132 20.474 B 37 ASP B 92 ASP.? B 56 ILE B 61 ILE^? B 82 TYR B 94 TYR^? ULMNm 3 2dbt_c01 CHITINASE C user 6 3 RMSD = 1.39 A TRANSFORM 0.4195 0.8997 -0.1206 -0.7783 0.2881 -0.5579 0.4672 -0.3279 -0.8211 -23.919 90.472 48.091 B 147 GLU B 102 GLU^? B 156 GLU B 75 GLU.? B 194 ASN B 7 ASN~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.40 A TRANSFORM -0.3904 0.3332 -0.8582 -0.8805 -0.4073 0.2424 0.2688 -0.8504 -0.4524 35.613 63.748 88.752 A 67 ASP A 81 ASP~? A 68 ALA A 91 ALA.? A 72 LEU A 39 LEU^? ULMNm 3 1pow_c03 PYRUVATE OXIDASE (E.C.1.2.3.3) (WILDuser 7 3 RMSD = 1.40 A TRANSFORM -0.2494 -0.9283 -0.2759 0.4682 -0.3650 0.8047 0.8477 -0.0715 -0.5256 56.549 98.701 20.888 B 264 ARG B 126 ARG~? B 479 PHE A 115 PHE~? B 483 GLU A 122 GLU~? ULMNm 3 1pow_c03 PYRUVATE OXIDASE (E.C.1.2.3.3) (WILDuser 3 3 RMSD = 1.41 A TRANSFORM 0.2905 0.9205 0.2613 -0.6847 0.3907 -0.6152 0.6685 0.0002 -0.7438 -101.033 88.331 22.608 B 264 ARG A 126 ARG~? B 479 PHE B 115 PHE~? B 483 GLU B 122 GLU~? ULMNm 3 1pow_c02 PYRUVATE OXIDASE (E.C.1.2.3.3) (WILDuser 6 3 RMSD = 1.41 A TRANSFORM 0.2187 0.9427 0.2518 -0.9536 0.2612 -0.1497 0.2069 0.2073 -0.9561 -66.094 51.183 0.280 A 264 ARG B 126 ARG~? A 479 PHE A 115 PHE~? A 483 GLU A 122 GLU~? ULMNm 3 1pow_c02 PYRUVATE OXIDASE (E.C.1.2.3.3) (WILDuser 3 3 RMSD = 1.41 A TRANSFORM -0.2731 -0.9347 -0.2275 -0.0367 -0.2262 0.9734 0.9613 -0.2742 -0.0275 91.736 51.068 6.077 A 264 ARG A 126 ARG~? A 479 PHE B 115 PHE~? A 483 GLU B 122 GLU~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.42 A TRANSFORM -0.8540 -0.2503 -0.4562 -0.1380 0.9543 -0.2652 -0.5017 0.1636 0.8494 112.391 -62.433 14.655 A 261 GLY A 65 GLY.? B 17 GLN A 68 GLN^? B 140 GLU A 67 GLU^? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 1 3 RMSD = 1.43 A TRANSFORM -0.7584 -0.0771 -0.6472 -0.2997 -0.8406 0.4513 0.5788 -0.5362 -0.6144 63.945 86.341 77.859 B 1 SER B -2 SER.? B 69 ALA B 0 ALA~? B 241 ASN B -1 ASN~? ULMNm 3 1et0_c00 4-AMINO-4-DEOXYCHORISMATE LYASE user 1 3 RMSD = 1.48 A TRANSFORM -0.5757 -0.8042 0.1477 0.7539 -0.4520 0.4768 0.3167 -0.3858 -0.8665 81.324 44.822 93.981 A 159 LYS A 30 LYS^? A 193 GLU A 36 GLU.? A 217 VAL A 32 VAL^? ULMNm 3 5cox_c07 CYCLOOXYGENASE-2 user 1 3 RMSD = 1.49 A TRANSFORM -0.7104 0.6976 0.0928 -0.5346 -0.6207 0.5736 -0.4578 -0.3579 -0.8139 -5.464 104.439 98.663 D 203 GLN B 68 GLN^? D 207 HIS A 144 HIS~? D 385 TYR A 146 TYR~? ULMNm 3 5cox_c06 CYCLOOXYGENASE-2 user 1 3 RMSD = 1.49 A TRANSFORM 0.6242 -0.7722 -0.1186 -0.5478 -0.3243 -0.7712 -0.5571 -0.5464 0.6254 86.175 74.016 122.777 C 203 GLN B 68 GLN^? C 207 HIS A 144 HIS~? C 385 TYR A 146 TYR~? ULMNm 3 2dbt_c00 CHITINASE C user 6 3 RMSD = 1.49 A TRANSFORM -0.2946 -0.9252 -0.2391 -0.8568 0.3665 -0.3627 -0.4233 -0.0980 0.9007 152.604 34.535 1.004 A 147 GLU B 102 GLU^? A 156 GLU B 75 GLU.? A 194 ASN B 7 ASN~?