*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1ndo_c02 NAPTHALENE 1,2-DIOXYGENASE user 1 3 RMSD = 0.85 A TRANSFORM -0.7900 -0.5726 0.2190 -0.5972 0.7995 -0.0639 -0.1385 -0.1812 -0.9736 67.063 89.760 49.792 C 205 ASP A 62 ASP^? C 208 HIS A 40 HIS^? E 104 HIS A 60 HIS^? ULMNm 3 1ndo_c01 NAPTHALENE 1,2-DIOXYGENASE user 2 3 RMSD = 0.85 A TRANSFORM -0.8548 -0.3654 -0.3687 0.4881 -0.3245 -0.8102 0.1764 -0.8725 0.4557 75.464 2.356 17.745 A 104 HIS A 60 HIS^? E 205 ASP A 62 ASP^? E 208 HIS A 40 HIS^? ULMNm 3 1ndo_c02 NAPTHALENE 1,2-DIOXYGENASE user 3 3 RMSD = 0.87 A TRANSFORM 0.8047 -0.5826 0.1142 0.5722 0.7099 -0.4107 0.1582 0.3958 0.9046 -1.689 43.977 5.167 C 205 ASP B 62 ASP^? C 208 HIS B 40 HIS^? E 104 HIS B 60 HIS^? ULMNm 3 1ndo_c01 NAPTHALENE 1,2-DIOXYGENASE user 4 3 RMSD = 0.87 A TRANSFORM 0.8712 -0.0814 0.4842 -0.4660 0.1738 0.8676 -0.1548 -0.9814 0.1135 -15.127 16.347 38.043 A 104 HIS B 60 HIS^? E 205 ASP B 62 ASP^? E 208 HIS B 40 HIS^? ULMNm 3 1ndo_c00 NAPTHALENE 1,2-DIOXYGENASE user 1 3 RMSD = 0.88 A TRANSFORM -0.4588 -0.8544 -0.2438 0.1772 -0.3569 0.9172 -0.8707 0.3776 0.3151 41.691 18.803 104.967 A 205 ASP A 62 ASP^? A 208 HIS A 40 HIS^? C 104 HIS A 60 HIS^? ULMNm 3 1ndo_c00 NAPTHALENE 1,2-DIOXYGENASE user 3 3 RMSD = 0.90 A TRANSFORM 0.4894 -0.5644 0.6648 -0.1786 -0.8110 -0.5571 0.8536 0.1539 -0.4977 -15.514 59.217 42.446 A 205 ASP B 62 ASP^? A 208 HIS B 40 HIS^? C 104 HIS B 60 HIS^? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 2 3 RMSD = 1.02 A TRANSFORM 0.2849 -0.6882 -0.6673 0.5825 0.6771 -0.4497 0.7613 -0.2605 0.5938 38.046 -8.894 16.030 412 GLU B 29 GLU^? 516 HIS A 60 HIS^? 559 HIS A 40 HIS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.05 A TRANSFORM -0.6974 -0.2957 0.6529 -0.5500 -0.3632 -0.7520 0.4595 -0.8835 0.0907 10.066 34.779 -19.363 141 ASP A 76 ASP.? 166 GLY A 96 GLY~? 169 GLU B 29 GLU^? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 1 3 RMSD = 1.09 A TRANSFORM -0.2648 -0.1989 0.9436 -0.5932 0.8050 0.0032 -0.7603 -0.5589 -0.3311 35.194 35.481 98.725 412 GLU A 29 GLU^? 516 HIS B 60 HIS^? 559 HIS B 40 HIS^? ULMNm 3 1sll_c00 SIALIDASE L user 2 3 RMSD = 1.15 A TRANSFORM -0.7047 0.1975 0.6815 -0.3191 0.7696 -0.5531 -0.6337 -0.6072 -0.4793 9.572 29.681 60.309 318 ASP A 76 ASP.? 595 GLU A 82 GLU~? 713 TYR A 18 TYR~? ULMNm 3 1sll_c00 SIALIDASE L user 3 3 RMSD = 1.17 A TRANSFORM 0.6910 -0.2175 -0.6894 0.3412 0.9389 0.0458 0.6373 -0.2668 0.7229 -29.229 -9.714 -15.269 318 ASP B 76 ASP~? 595 GLU B 82 GLU~? 713 TYR B 18 TYR~? ULMNm 3 1euu_c00 SIALIDASE user 2 3 RMSD = 1.21 A TRANSFORM 0.1057 -0.1892 0.9762 -0.5534 0.8045 0.2159 -0.8262 -0.5631 -0.0197 -17.895 -2.852 44.752 92 ASP A 76 ASP.? 260 GLU A 82 GLU~? 370 TYR A 18 TYR~? ULMNm 3 1euu_c00 SIALIDASE user 3 3 RMSD = 1.21 A TRANSFORM -0.1311 -0.6852 -0.7165 0.5577 0.5466 -0.6247 0.8196 -0.4815 0.3105 20.709 -38.235 -32.881 92 ASP B 76 ASP~? 260 GLU B 82 GLU~? 370 TYR B 18 TYR~? ULMNm 3 1fgj_c01 HYDROXYLAMINE OXIDOREDUCTASE user 4 3 RMSD = 1.24 A TRANSFORM -0.6643 -0.6008 -0.4447 0.7431 -0.5953 -0.3057 -0.0811 -0.5335 0.8419 78.000 9.523 -22.092 B 267 ASP B 35 ASP^? B 268 HIS B 40 HIS^? B 334 TYR B 41 TYR^? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 1 3 RMSD = 1.27 A TRANSFORM -0.5565 0.3348 -0.7604 -0.6108 -0.7853 0.1012 -0.5632 0.5208 0.6415 36.088 67.862 105.151 C 14 ASP A 62 ASP^? C 16 HIS A 40 HIS^? C 67 GLY A 66 GLY.? ULMNm 3 2tmd_c00 TRIMETHYLAMINE DEHYDROGENASE user 2 3 RMSD = 1.27 A TRANSFORM -0.7166 -0.0094 -0.6974 0.2686 -0.9265 -0.2636 -0.6436 -0.3762 0.6665 67.347 6.558 15.209 A 169 TYR B 55 TYR^? A 172 HIS A 60 HIS^? A 267 ASP A 62 ASP^? ULMNm 3 2tmd_c01 TRIMETHYLAMINE DEHYDROGENASE user 2 3 RMSD = 1.28 A TRANSFORM 0.7030 -0.2268 0.6740 -0.4960 -0.8355 0.2363 0.5096 -0.5004 -0.6999 3.620 14.001 18.303 B 169 TYR B 55 TYR^? B 172 HIS A 60 HIS^? B 267 ASP A 62 ASP^? ULMNm 3 1fgj_c01 HYDROXYLAMINE OXIDOREDUCTASE user 1 3 RMSD = 1.28 A TRANSFORM 0.6755 -0.2360 0.6986 -0.7269 -0.3727 0.5769 0.1242 -0.8975 -0.4233 -0.380 59.997 -10.013 B 267 ASP A 35 ASP^? B 268 HIS A 40 HIS^? B 334 TYR A 41 TYR^? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.29 A TRANSFORM -0.6894 0.5284 0.4956 -0.6569 -0.1675 -0.7352 -0.3054 -0.8323 0.4626 -4.396 73.259 -7.659 B 603 HIS A 40 HIS^? B 646 ASP A 35 ASP^? B 739 GLY A 66 GLY.? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 1 3 RMSD = 1.29 A TRANSFORM -0.6622 0.4340 -0.6109 0.6071 0.7886 -0.0979 0.4393 -0.4357 -0.7856 40.023 -36.539 66.128 A 14 ASP A 62 ASP^? A 16 HIS A 40 HIS^? A 67 GLY A 66 GLY.? ULMNm 3 2tmd_c00 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.29 A TRANSFORM 0.7349 0.3760 0.5644 -0.2494 -0.6241 0.7405 0.6307 -0.6849 -0.3649 -17.970 12.616 -23.630 A 169 TYR A 55 TYR^? A 172 HIS B 60 HIS^? A 267 ASP B 62 ASP^? ULMNm 3 2tmd_c01 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.30 A TRANSFORM -0.7174 -0.5597 -0.4148 0.5004 -0.8283 0.2523 -0.4848 -0.0266 0.8742 84.676 -30.160 35.745 B 169 TYR A 55 TYR^? B 172 HIS B 60 HIS^? B 267 ASP B 62 ASP^? ULMNm 3 2c3x_p00 ALPHA-AMYLASE G-6 user 2 3 RMSD = 1.32 A TRANSFORM 0.9956 0.0762 0.0549 0.0139 0.4584 -0.8887 -0.0929 0.8855 0.4553 -45.702 59.545 60.628 A 26 HIS B 60 HIS^? A 76 ASN B 39 ASN~? A 81 ASP B 35 ASP^? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.33 A TRANSFORM 0.1211 -0.7113 -0.6924 -0.3254 -0.6874 0.6493 -0.9378 0.1467 -0.3147 58.420 46.397 118.681 B 36 GLU B 82 GLU~? B 47 ASP B 76 ASP~? B 161 TYR B 18 TYR~? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.33 A TRANSFORM 0.2902 0.6333 -0.7174 -0.0535 0.7592 0.6486 0.9555 -0.1498 0.2542 29.675 10.110 8.174 A 36 GLU B 82 GLU~? A 47 ASP B 76 ASP~? A 161 TYR B 18 TYR~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 6 3 RMSD = 1.35 A TRANSFORM -0.6738 -0.2933 0.6782 0.6287 -0.7099 0.3176 0.3883 0.6404 0.6627 86.120 -50.971 -32.988 A 37 ASP B 76 ASP~? A 56 ILE B 59 ILE^? A 82 TYR B 18 TYR~? ULMNm 3 1oqz_c00 GLUTARYL ACYLASE user 3 3 RMSD = 1.35 A TRANSFORM 0.6111 0.2190 0.7607 0.7799 -0.0023 -0.6259 -0.1353 0.9757 -0.1722 45.682 2.637 66.574 A 170 SER B 24 SER~? A 239 VAL B 28 VAL^? A 413 ASN B 45 ASN^? ULMNm 3 1oqz_c01 GLUTARYL ACYLASE user 3 3 RMSD = 1.36 A TRANSFORM -0.6124 -0.2310 -0.7561 0.7739 0.0200 -0.6330 0.1613 -0.9728 0.1665 59.689 -31.200 -12.760 B 170 SER B 24 SER~? B 239 VAL B 28 VAL^? B 413 ASN B 45 ASN^? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 1 3 RMSD = 1.37 A TRANSFORM -0.2863 0.9241 0.2532 0.0764 0.2855 -0.9553 -0.9551 -0.2542 -0.1523 39.412 31.090 98.878 A 36 GLU A 82 GLU~? A 47 ASP A 76 ASP.? A 161 TYR A 18 TYR~? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 1 3 RMSD = 1.37 A TRANSFORM -0.1435 -0.2208 0.9647 0.3196 -0.9329 -0.1660 0.9366 0.2845 0.2045 42.520 31.067 27.717 B 36 GLU A 82 GLU~? B 47 ASP A 76 ASP.? B 161 TYR A 18 TYR~? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 5 3 RMSD = 1.38 A TRANSFORM -0.6771 -0.2888 0.6769 0.6128 -0.7306 0.3013 0.4075 0.6188 0.6716 89.245 -66.317 -62.073 B 37 ASP B 76 ASP~? B 56 ILE B 59 ILE^? B 82 TYR B 18 TYR~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 2 3 RMSD = 1.38 A TRANSFORM -0.7651 -0.4965 -0.4099 -0.5161 0.8536 -0.0707 0.3850 0.1575 -0.9094 69.256 29.802 11.376 A 271 PRO B 79 PRO~? A 272 LEU B 83 LEU~? A 276 ARG B 90 ARG~? ULMNm 3 1asy_c00 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 3 3 RMSD = 1.39 A TRANSFORM -0.7102 0.3452 -0.6136 -0.2377 0.7028 0.6705 0.6627 0.6220 -0.4171 106.177 50.484 -28.171 B 325 ARG B 53 ARG^? B 342 ASP A 62 ASP^? B 531 ARG B 56 ARG^? ULMNm 3 1emh_d00 HYDROLASE/DNA user 1 3 RMSD = 1.40 A TRANSFORM 0.7608 -0.1976 0.6181 0.5269 0.7441 -0.4107 -0.3788 0.6382 0.6702 -14.902 -10.270 19.397 A 271 PRO A 79 PRO~? A 272 LEU A 83 LEU~? A 276 ARG A 90 ARG~? ULMNm 3 5cox_c07 CYCLOOXYGENASE-2 user 2 3 RMSD = 1.40 A TRANSFORM -0.8531 -0.0037 -0.5217 -0.2692 0.8597 0.4341 0.4469 0.5108 -0.7344 67.205 43.844 48.777 D 203 GLN B 71 GLN^? D 207 HIS B 60 HIS^? D 385 TYR B 41 TYR^? ULMNm 3 2c3x_p00 ALPHA-AMYLASE G-6 user 1 3 RMSD = 1.40 A TRANSFORM -0.9946 -0.0023 -0.1041 -0.0519 0.8778 0.4761 0.0903 0.4789 -0.8732 44.868 39.404 74.788 A 26 HIS A 60 HIS^? A 76 ASN A 39 ASN.? A 81 ASP A 35 ASP^? ULMNm 3 5cox_c04 CYCLOOXYGENASE-2 user 2 3 RMSD = 1.40 A TRANSFORM -0.8563 -0.0662 -0.5123 -0.4060 -0.5270 0.7467 -0.3193 0.8473 0.4244 78.751 41.333 9.341 A 203 GLN B 71 GLN^? A 207 HIS B 60 HIS^? A 385 TYR B 41 TYR^? ULMNm 3 5cox_c05 CYCLOOXYGENASE-2 user 2 3 RMSD = 1.40 A TRANSFORM 0.8496 0.0534 0.5248 0.3229 -0.8393 -0.4374 0.4171 0.5410 -0.7303 16.750 21.727 -10.442 B 203 GLN B 71 GLN^? B 207 HIS B 60 HIS^? B 385 TYR B 41 TYR^? ULMNm 3 5cox_c06 CYCLOOXYGENASE-2 user 2 3 RMSD = 1.41 A TRANSFORM 0.8665 0.1141 0.4860 0.3515 0.5520 -0.7561 -0.3545 0.8260 0.4382 4.940 27.975 70.540 C 203 GLN B 71 GLN^? C 207 HIS B 60 HIS^? C 385 TYR B 41 TYR^? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.41 A TRANSFORM 0.8851 0.4431 -0.1424 0.4629 -0.8063 0.3681 0.0483 -0.3917 -0.9188 -22.170 40.146 3.616 A 603 HIS A 40 HIS^? A 646 ASP A 35 ASP^? A 739 GLY A 66 GLY.? ULMNm 3 5cox_c07 CYCLOOXYGENASE-2 user 1 3 RMSD = 1.42 A TRANSFORM 0.8436 0.3037 0.4428 0.2700 0.4730 -0.8387 -0.4642 0.8271 0.3170 -23.891 41.422 71.408 D 203 GLN A 71 GLN^? D 207 HIS A 60 HIS^? D 385 TYR A 41 TYR^? ULMNm 3 1asy_c00 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 1 3 RMSD = 1.42 A TRANSFORM 0.7229 0.6458 0.2457 0.1458 0.2051 -0.9678 -0.6754 0.7355 0.0541 28.781 61.615 22.716 B 325 ARG A 53 ARG^? B 342 ASP B 62 ASP^? B 531 ARG A 56 ARG^? ULMNm 3 1knp_c00 L-ASPARTATE OXIDASE user 2 3 RMSD = 1.42 A TRANSFORM 0.0845 -0.2048 0.9752 -0.2905 0.9311 0.2207 -0.9531 -0.3019 0.0192 49.397 57.128 176.285 A 290 ARG A 38 ARG.? A 351 HIS A 40 HIS^? A 386 LEU B 34 LEU^? ULMNm 3 5cox_c04 CYCLOOXYGENASE-2 user 1 3 RMSD = 1.42 A TRANSFORM 0.8475 0.2469 0.4698 0.4236 -0.8480 -0.3186 0.3197 0.4690 -0.8233 -12.957 22.530 2.082 A 203 GLN A 71 GLN^? A 207 HIS A 60 HIS^? A 385 TYR A 41 TYR^? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 3 3 RMSD = 1.42 A TRANSFORM 0.4356 -0.5499 0.7126 -0.9001 -0.2568 0.3521 -0.0106 -0.7947 -0.6069 -23.917 26.203 96.661 A 14 ASP B 62 ASP^? A 16 HIS B 40 HIS^? A 67 GLY B 96 GLY~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 4 3 RMSD = 1.42 A TRANSFORM 0.7663 -0.5883 -0.2581 -0.5968 -0.8006 0.0530 -0.2379 0.1134 -0.9647 38.984 7.808 23.817 A 37 ASP A 76 ASP.? A 56 ILE A 59 ILE^? A 82 TYR A 18 TYR~? ULMNm 3 5cox_c05 CYCLOOXYGENASE-2 user 1 3 RMSD = 1.42 A TRANSFORM -0.8405 -0.2643 -0.4730 -0.3237 -0.4551 0.8295 -0.4345 0.8503 0.2970 108.112 28.995 9.973 B 203 GLN A 71 GLN^? B 207 HIS A 60 HIS^? B 385 TYR A 41 TYR^? ULMNm 3 5cox_c06 CYCLOOXYGENASE-2 user 1 3 RMSD = 1.43 A TRANSFORM -0.8587 -0.1928 -0.4748 -0.3695 0.8750 0.3130 0.3551 0.4442 -0.8226 97.238 41.919 60.381 C 203 GLN A 71 GLN^? C 207 HIS A 60 HIS^? C 385 TYR A 41 TYR^? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 3 3 RMSD = 1.43 A TRANSFORM 0.4249 -0.7003 0.5736 0.8990 0.2526 -0.3577 0.1056 0.6677 0.7369 -20.241 5.215 62.040 C 14 ASP B 62 ASP^? C 16 HIS B 40 HIS^? C 67 GLY B 96 GLY~? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 1.43 A TRANSFORM 0.8587 0.4776 -0.1858 0.5099 -0.7602 0.4027 0.0511 -0.4405 -0.8963 -23.424 36.720 66.783 C 603 HIS A 40 HIS^? C 646 ASP A 35 ASP^? C 739 GLY A 66 GLY.? ULMNm 3 1mjo_d00 TRANSCRIPTION/DNA user 1 3 RMSD = 1.44 A TRANSFORM 0.5201 -0.5643 -0.6411 0.7280 0.6855 -0.0128 0.4467 -0.4601 0.7673 82.964 3.089 22.946 D 23 LYS A 12 LYS~? D 25 THR A 16 THR~? D 27 SER A 20 SER~? ULMNm 3 1asy_c01 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 2 3 RMSD = 1.44 A TRANSFORM 0.6277 -0.4421 0.6407 0.7443 0.0999 -0.6603 0.2279 0.8914 0.3918 37.611 40.280 -28.077 A 325 ARG B 53 ARG^? A 342 ASP A 62 ASP^? A 531 ARG B 56 ARG^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 3 3 RMSD = 1.44 A TRANSFORM 0.7702 -0.5835 -0.2576 -0.5845 -0.8073 0.0809 -0.2551 0.0883 -0.9629 41.767 -9.568 -3.518 B 37 ASP A 76 ASP.? B 56 ILE A 59 ILE^? B 82 TYR A 18 TYR~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 10 3 RMSD = 1.45 A TRANSFORM -0.1510 0.8855 0.4395 -0.2413 -0.4641 0.8523 0.9586 0.0226 0.2837 46.347 75.912 -21.629 A 228 ASP B 25 ASP~? A 261 ASP B 76 ASP~? A 329 ASP B 22 ASP~? ULMNm 3 1g8f_c00 SULFATE ADENYLYLTRANSFERASE user 3 3 RMSD = 1.45 A TRANSFORM -0.8349 0.5400 -0.1067 -0.3380 -0.3499 0.8737 0.4345 0.7655 0.4746 19.927 22.543 16.379 A 197 ARG B 56 ARG^? A 201 HIS A 40 HIS^? A 204 HIS A 60 HIS^? ULMNm 3 1asy_c01 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 1 3 RMSD = 1.47 A TRANSFORM -0.6350 -0.7400 -0.2219 -0.7085 0.4433 0.5490 -0.3079 0.5058 -0.8058 107.565 83.616 15.997 A 325 ARG A 53 ARG^? A 342 ASP B 62 ASP^? A 531 ARG A 56 ARG^? ULMNm 3 1gns_c00 SUBTILISIN BPN' user 7 3 RMSD = 1.47 A TRANSFORM -0.5854 0.2903 0.7570 -0.4861 0.6216 -0.6142 -0.6489 -0.7275 -0.2228 13.220 73.043 66.980 A 32 ASP B 62 ASP^? A 64 HIS B 60 HIS^? A 155 ASN A 45 ASN^? ULMNm 3 1gns_c00 SUBTILISIN BPN' user 4 3 RMSD = 1.49 A TRANSFORM 0.5928 -0.1730 -0.7865 0.4900 0.8526 0.1817 0.6391 -0.4931 0.5902 -12.932 16.761 -3.671 A 32 ASP A 62 ASP^? A 64 HIS A 60 HIS^? A 155 ASN B 45 ASN^? ULMNm 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.49 A TRANSFORM 0.5526 0.7582 0.3460 -0.0982 0.4715 -0.8764 -0.8276 0.4503 0.3350 -42.715 100.776 133.873 D 137 ARG A 38 ARG.? D 141 THR A 36 THR.? D 235 ASP B 22 ASP~?