*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1e2t_c07 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 1.05 A TRANSFORM -0.1144 0.1563 -0.9811 -0.5050 0.8413 0.1929 0.8555 0.5176 -0.0173 47.237 51.901 -13.361 H 69 CYH A 85 CYH^? H 107 HIS A 72 HIS^? H 122 ASP A 87 ASP^? ULMNm 3 1e2t_c03 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 1.08 A TRANSFORM 0.2861 -0.3642 -0.8863 -0.7132 0.5368 -0.4509 0.6399 0.7611 -0.1062 118.107 73.967 29.602 D 69 CYH A 85 CYH^? D 107 HIS A 72 HIS^? D 122 ASP A 87 ASP^? ULMNm 3 1e2t_c00 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 1.09 A TRANSFORM -0.8132 -0.3893 -0.4326 0.4786 -0.8703 -0.1165 -0.3311 -0.3018 0.8940 122.626 122.978 72.795 A 69 CYH A 85 CYH^? A 107 HIS A 72 HIS^? A 122 ASP A 87 ASP^? ULMNm 3 1e2t_c02 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 1.09 A TRANSFORM 0.0912 -0.0981 0.9910 -0.4996 0.8563 0.1307 -0.8614 -0.5070 0.0291 82.577 50.114 98.010 C 69 CYH A 85 CYH^? C 107 HIS A 72 HIS^? C 122 ASP A 87 ASP^? ULMNm 3 1e2t_c06 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 1.10 A TRANSFORM -0.3696 0.3761 0.8497 -0.6907 0.5004 -0.5220 -0.6216 -0.7798 0.0749 15.299 78.469 56.783 G 69 CYH A 85 CYH^? G 107 HIS A 72 HIS^? G 122 ASP A 87 ASP^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.11 A TRANSFORM 0.7662 -0.1866 0.6149 0.4452 0.8441 -0.2986 -0.4633 0.5026 0.7299 -17.910 -3.852 -1.092 141 ASP A 102 ASP~? 166 GLY A 50 GLY^? 169 GLU A 66 GLU^? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 1.12 A TRANSFORM -0.0811 -0.9872 0.1373 -0.6121 0.1580 0.7749 -0.7866 -0.0212 -0.6170 22.842 51.286 77.928 C 603 HIS A 54 HIS^? C 646 ASP A 60 ASP^? C 739 GLY A 50 GLY^? ULMNm 3 1e2t_c05 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 1.12 A TRANSFORM -0.3635 -0.8834 -0.2958 0.7487 -0.4659 0.4716 -0.5545 -0.0500 0.8307 87.478 96.516 12.860 F 69 CYH A 85 CYH^? F 107 HIS A 72 HIS^? F 122 ASP A 87 ASP^? ULMNm 3 1e2t_c01 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 1.12 A TRANSFORM 0.4223 0.8400 0.3408 0.7054 -0.5406 0.4585 0.5693 0.0468 -0.8208 46.241 98.233 72.130 B 69 CYH A 85 CYH^? B 107 HIS A 72 HIS^? B 122 ASP A 87 ASP^? ULMNm 3 1e2t_c04 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 1.14 A TRANSFORM 0.8476 0.3287 0.4165 0.4242 -0.8914 -0.1597 0.3188 0.3120 -0.8950 12.897 127.040 12.547 E 69 CYH A 85 CYH^? E 107 HIS A 72 HIS^? E 122 ASP A 87 ASP^? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.15 A TRANSFORM -0.0991 -0.9757 0.1955 -0.6430 0.2128 0.7358 -0.7595 -0.0528 -0.6484 24.595 52.590 15.204 A 603 HIS A 54 HIS^? A 646 ASP A 60 ASP^? A 739 GLY A 50 GLY^? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.15 A TRANSFORM 0.9326 0.3574 -0.0500 -0.2037 0.4071 -0.8904 -0.2979 0.8405 0.4525 -40.377 50.256 -33.183 B 603 HIS A 54 HIS^? B 646 ASP A 60 ASP^? B 739 GLY A 50 GLY^? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 1 3 RMSD = 1.16 A TRANSFORM 0.5761 -0.1985 -0.7929 0.4161 -0.7637 0.4936 -0.7035 -0.6143 -0.3573 -31.098 44.493 35.275 A1132 ASP A 48 ASP.? A1134 ALA A 2 ALA.? A1137 ASN A 3 ASN.? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.17 A TRANSFORM -0.4263 0.5365 0.7283 -0.9011 -0.1808 -0.3942 -0.0798 -0.8243 0.5605 13.954 -64.515 -123.108 A 183 GLY A 26 GLY~? B 419 GLY A 23 GLY~? B 420 ALA A 21 ALA~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.20 A TRANSFORM 0.3794 0.9237 0.0524 -0.8902 0.3799 -0.2514 -0.2521 0.0487 0.9665 31.478 -84.600 -129.900 A 420 ALA A 140 ALA.? B 182 GLY A 137 GLY~? B 183 GLY A 138 GLY.? ULMNm 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 2 3 RMSD = 1.21 A TRANSFORM -0.0517 -0.2818 -0.9581 -0.6379 0.7475 -0.1855 0.7684 0.6015 -0.2184 11.904 4.272 0.430 A 630 SER A 15 SER~? A 709 ASP A 60 ASP^? A 740 HIS A 54 HIS^? ULMNm 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.25 A TRANSFORM 0.4595 -0.1280 0.8789 -0.5730 0.7134 0.4035 -0.6786 -0.6890 0.2545 -10.101 0.628 43.416 B 630 SER A 15 SER~? B 709 ASP A 60 ASP^? B 740 HIS A 54 HIS^? ULMNm 3 1euu_c00 SIALIDASE user 2 3 RMSD = 1.25 A TRANSFORM -0.6901 0.6951 -0.2015 0.5218 0.6708 0.5269 0.5015 0.2585 -0.8257 5.527 -30.177 7.248 92 ASP A 147 ASP.? 260 GLU A 127 GLU~? 370 TYR A 4 TYR^? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.26 A TRANSFORM 0.2072 0.7148 0.6680 -0.8600 0.4585 -0.2239 -0.4663 -0.5281 0.7097 48.053 12.141 8.305 A 261 GLY A 26 GLY~? B 17 GLN A 19 GLN~? B 140 GLU A 27 GLU^? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 1 3 RMSD = 1.26 A TRANSFORM -0.8940 -0.1017 0.4363 -0.4053 0.5988 -0.6908 -0.1910 -0.7944 -0.5766 69.807 -7.990 10.344 A 37 ASP A 48 ASP.? A 56 ILE A 64 ILE^? A 82 TYR A 130 TYR~? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.27 A TRANSFORM 0.8582 0.4950 0.1360 -0.0634 0.3651 -0.9288 -0.5094 0.7885 0.3447 -45.537 46.800 35.081 D 603 HIS A 54 HIS^? D 646 ASP A 60 ASP^? D 739 GLY A 50 GLY^? ULMNm 3 1rgq_c01 NS4A PEPTIDE user 3 3 RMSD = 1.27 A TRANSFORM -0.2906 -0.7058 -0.6461 -0.5574 -0.4240 0.7138 -0.7777 0.5676 -0.2702 40.423 25.490 -33.009 B 60 HIS A 72 HIS^? B 84 ASP A 87 ASP^? B 140 GLY A 79 GLY.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.28 A TRANSFORM -0.6468 0.6669 0.3701 -0.5058 -0.7382 0.4464 0.5709 0.1015 0.8147 -11.003 28.553 -7.646 141 ASP A 84 ASP^? 166 GLY A 50 GLY^? 169 GLU A 127 GLU~? ULMNm 3 1fnb_c00 FERREDOXIN:NADP+ OXIDOREDUCTASE (FERuser 1 3 RMSD = 1.28 A TRANSFORM -0.7335 0.0961 0.6729 0.1449 -0.9451 0.2929 0.6641 0.3123 0.6793 13.867 29.183 1.397 96 SER A 75 SER.? 272 CYH A 85 CYH^? 312 GLU A 28 GLU^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 1 3 RMSD = 1.29 A TRANSFORM -0.8927 -0.1083 0.4375 -0.4040 0.6225 -0.6703 -0.1998 -0.7751 -0.5994 72.766 -24.771 -17.497 B 37 ASP A 48 ASP.? B 56 ILE A 64 ILE^? B 82 TYR A 130 TYR~? ULMNm 3 1bhg_c04 BETA-GLUCURONIDASE user 1 3 RMSD = 1.29 A TRANSFORM 0.1671 -0.2065 -0.9641 -0.9328 0.2835 -0.2224 0.3192 0.9365 -0.1453 76.978 102.035 69.048 A 382 ARG A 135 ARG~? A 451 GLU A 127 GLU~? A 540 GLU A 128 GLU~? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.32 A TRANSFORM -0.9934 -0.1146 -0.0101 -0.0865 0.6863 0.7221 -0.0759 0.7182 -0.6917 55.840 8.249 41.955 A 98 SER A 9 SER^? A 123 HIS A 54 HIS^? A 172 ASP A 60 ASP^? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.32 A TRANSFORM -0.9934 -0.1146 -0.0101 -0.0865 0.6863 0.7221 -0.0759 0.7182 -0.6917 55.840 8.249 41.955 A 98 SER A 9 SER^? A 123 HIS A 54 HIS^? A 172 ASP A 60 ASP^? ULMNm 3 1sll_c00 SIALIDASE L user 2 3 RMSD = 1.32 A TRANSFORM 0.2322 0.9670 -0.1044 0.7711 -0.1176 0.6257 0.5928 -0.2258 -0.7730 -13.876 0.665 24.352 318 ASP A 147 ASP.? 595 GLU A 127 GLU~? 713 TYR A 4 TYR^? ULMNm 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.36 A TRANSFORM -0.7169 -0.4017 -0.5698 -0.6908 0.5199 0.5025 0.0944 0.7539 -0.6502 175.089 -2.515 87.731 M 98 SER A 9 SER^? M 123 HIS A 54 HIS^? M 172 ASP A 60 ASP^? ULMNm 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.36 A TRANSFORM 0.9431 0.2603 0.2070 0.2725 -0.2476 -0.9298 -0.1907 0.9332 -0.3044 114.279 79.407 68.031 I 98 SER A 9 SER^? I 123 HIS A 54 HIS^? I 172 ASP A 60 ASP^? ULMNm 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.37 A TRANSFORM 0.0773 -0.4956 -0.8651 -0.9878 0.0796 -0.1339 0.1353 0.8649 -0.4834 187.686 40.574 76.781 N 98 SER A 9 SER^? N 123 HIS A 54 HIS^? N 172 ASP A 60 ASP^? ULMNm 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.37 A TRANSFORM -0.5864 -0.4922 -0.6434 -0.8054 0.4392 0.3981 0.0867 0.7516 -0.6539 94.376 32.395 37.452 B 98 SER A 9 SER^? B 123 HIS A 54 HIS^? B 172 ASP A 60 ASP^? ULMNm 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.37 A TRANSFORM 0.2589 -0.5013 -0.8256 -0.9547 -0.0029 -0.2976 0.1468 0.8652 -0.4794 98.950 77.031 26.228 C 98 SER A 9 SER^? C 123 HIS A 54 HIS^? C 172 ASP A 60 ASP^? ULMNm 3 3qwd_o05 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.37 A TRANSFORM 0.1915 0.5380 0.8209 0.9231 0.1855 -0.3369 -0.3335 0.8223 -0.4611 -4.983 64.762 28.268 F 98 SER A 9 SER^? F 123 HIS A 54 HIS^? F 172 ASP A 60 ASP^? ULMNm 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.38 A TRANSFORM 0.8314 -0.2111 -0.5140 -0.5551 -0.2775 -0.7841 0.0229 0.9373 -0.3479 160.719 77.434 68.393 H 98 SER A 9 SER^? H 123 HIS A 54 HIS^? H 172 ASP A 60 ASP^? ULMNm 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.38 A TRANSFORM 0.3597 0.5307 0.7675 0.8776 0.0871 -0.4715 -0.3170 0.8431 -0.4344 83.596 46.490 76.900 J 98 SER A 9 SER^? J 123 HIS A 54 HIS^? J 172 ASP A 60 ASP^? ULMNm 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.38 A TRANSFORM -0.9893 -0.0028 0.1460 0.1009 0.7097 0.6973 -0.1056 0.7045 -0.7018 132.482 -19.762 92.669 L 98 SER A 9 SER^? L 123 HIS A 54 HIS^? L 172 ASP A 60 ASP^? ULMNm 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.38 A TRANSFORM -0.5088 0.4461 0.7363 0.8099 0.5380 0.2336 -0.2919 0.7152 -0.6351 91.082 1.907 88.894 K 98 SER A 9 SER^? K 123 HIS A 54 HIS^? K 172 ASP A 60 ASP^? ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.39 A TRANSFORM -0.1377 0.0941 0.9860 -0.2334 -0.9705 0.0600 0.9626 -0.2219 0.1556 -3.182 54.592 77.335 C 107 ASP A 87 ASP^? C 246 ASP A 80 ASP.? C 275 HIS A 72 HIS^? ULMNm 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.39 A TRANSFORM 0.8923 0.2955 0.3412 0.4096 -0.2120 -0.8873 -0.1899 0.9315 -0.3102 20.049 103.096 18.228 E 98 SER A 9 SER^? E 123 HIS A 54 HIS^? E 172 ASP A 60 ASP^? ULMNm 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.39 A TRANSFORM -0.6454 0.3501 0.6789 0.7029 0.6201 0.3484 -0.2990 0.7020 -0.6463 11.016 22.165 39.768 G 98 SER A 9 SER^? G 123 HIS A 54 HIS^? G 172 ASP A 60 ASP^? ULMNm 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.40 A TRANSFORM 0.9167 -0.1474 -0.3713 -0.3994 -0.3178 -0.8600 0.0088 0.9366 -0.3502 65.721 108.659 18.235 D 98 SER A 9 SER^? D 123 HIS A 54 HIS^? D 172 ASP A 60 ASP^? ULMNm 3 1ddj_c12 PLASMINOGEN user 3 3 RMSD = 1.40 A TRANSFORM 0.5681 -0.1316 -0.8124 -0.6620 0.5134 -0.5461 0.4889 0.8480 0.2045 24.786 48.656 -24.580 A 603 HIS A 72 HIS^? A 646 ASP A 87 ASP^? A 739 GLY A 31 GLY.? ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 1 3 RMSD = 1.41 A TRANSFORM 0.2439 0.4485 0.8599 -0.8628 0.5052 -0.0187 -0.4428 -0.7373 0.5102 -14.983 47.065 62.619 A 53 SER A 145 SER.? A 54 PRO A 146 PRO.? A 96 ASP A 48 ASP.? ULMNm 3 1ddj_c13 PLASMINOGEN user 3 3 RMSD = 1.41 A TRANSFORM -0.2421 -0.8122 0.5308 0.3250 0.4475 0.8331 -0.9142 0.3742 0.1556 -10.740 23.664 -31.951 B 603 HIS A 72 HIS^? B 646 ASP A 87 ASP^? B 739 GLY A 31 GLY.? ULMNm 3 1qfl_c02 ACETOACETYL-COA THIOLASE user 1 3 RMSD = 1.43 A TRANSFORM 0.8721 0.3988 -0.2835 0.4657 -0.8543 0.2308 -0.1502 -0.3333 -0.9308 32.000 21.386 67.932 C 348 HIS A 72 HIS^? C 378 CYH A 68 CYH^? C 380 GLY A 26 GLY~? ULMNm 3 1ukf_o00 AVIRULENCE PROTEIN AVRPPH3 user 1 3 RMSD = 1.44 A TRANSFORM -0.3841 0.8207 -0.4229 0.8665 0.1622 -0.4722 -0.3190 -0.5478 -0.7734 15.830 36.893 62.917 A 98 CYH A 85 CYH^? A 212 HIS A 72 HIS^? A 227 ASP A 87 ASP^? ULMNm 3 1ddj_c14 PLASMINOGEN user 3 3 RMSD = 1.46 A TRANSFORM 0.6194 -0.1440 -0.7717 -0.6444 0.4682 -0.6046 0.4484 0.8718 0.1973 22.353 49.159 38.050 C 603 HIS A 72 HIS^? C 646 ASP A 87 ASP^? C 739 GLY A 31 GLY.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.47 A TRANSFORM 0.5764 0.8129 -0.0836 -0.1408 0.1995 0.9697 0.8050 -0.5471 0.2295 3.287 5.463 57.850 A 316 ALA A 77 ALA.? A 317 GLY A 79 GLY.? A 318 ASP A 80 ASP.? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 7 3 RMSD = 1.47 A TRANSFORM -0.2207 0.3150 0.9231 -0.9075 -0.4131 -0.0760 0.3574 -0.8545 0.3771 7.864 85.374 42.377 179 ASP A 147 ASP.? 227 GLU A 128 GLU~? 289 ASP A 48 ASP.? ULMNm 3 1m53_c06 ISOMALTULOSE SYNTHASE user 3 3 RMSD = 1.48 A TRANSFORM 0.3005 0.7732 -0.5585 -0.3900 0.6340 0.6678 0.8704 0.0172 0.4920 9.481 27.384 58.539 A 241 ASP A 60 ASP^? A 279 GLU A 27 GLU^? A 369 ASP A 102 ASP~?