*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1a41_c01 TOPOISOMERASE I user 4 3 RMSD = 0.73 A TRANSFORM -0.0486 -0.6058 -0.7941 -0.5836 0.6625 -0.4696 0.8106 0.4407 -0.3857 21.172 37.651 -20.334 223 ARG B 6 ARG~? 265 HIS A 35 HIS^? 274 TYR A 45 TYR^? ULMNm 3 1a41_c01 TOPOISOMERASE I user 1 3 RMSD = 0.75 A TRANSFORM 0.0368 -0.5888 0.8075 0.5966 0.6612 0.4549 -0.8017 0.4650 0.3756 6.016 9.914 0.203 223 ARG A 6 ARG~? 265 HIS B 35 HIS^? 274 TYR B 45 TYR^? ULMNm 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 7 3 RMSD = 0.86 A TRANSFORM -0.9999 -0.0117 -0.0055 0.0103 -0.4673 -0.8840 0.0078 -0.8840 0.4674 23.675 58.954 50.970 B 40 HIS B 35 HIS^? B 58 GLU A 33 GLU^? B 92 HIS A 35 HIS^? ULMNm 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 4 3 RMSD = 0.87 A TRANSFORM 0.9994 -0.0343 0.0071 -0.0219 -0.4526 0.8914 -0.0273 -0.8910 -0.4531 -9.893 44.483 59.343 B 40 HIS A 35 HIS^? B 58 GLU B 33 GLU^? B 92 HIS B 35 HIS^? ULMNm 3 1bhg_c03 BETA-GLUCURONIDASE user 3 3 RMSD = 0.97 A TRANSFORM 0.1392 0.9003 -0.4124 -0.2422 0.4347 0.8674 0.9602 -0.0209 0.2785 49.563 17.606 94.269 B 451 GLU A 33 GLU^? B 504 TYR B 41 TYR^? B 540 GLU B 33 GLU^? ULMNm 3 1bhg_c03 BETA-GLUCURONIDASE user 7 3 RMSD = 0.97 A TRANSFORM -0.1178 0.9130 0.3907 0.2505 0.4080 -0.8779 -0.9609 -0.0056 -0.2767 46.961 24.370 131.210 B 451 GLU B 33 GLU^? B 504 TYR A 41 TYR^? B 540 GLU A 33 GLU^? ULMNm 3 1bhg_c02 BETA-GLUCURONIDASE user 5 3 RMSD = 1.04 A TRANSFORM -0.0172 0.9670 0.2540 -0.2758 -0.2488 0.9285 0.9611 -0.0541 0.2710 39.560 91.102 71.492 A 451 GLU B 33 GLU^? A 504 TYR A 41 TYR^? A 540 GLU A 33 GLU^? ULMNm 3 1vom_c00 MYOSIN user 3 3 RMSD = 1.04 A TRANSFORM 0.2217 0.0211 -0.9749 0.2168 -0.9758 0.0282 -0.9507 -0.2176 -0.2209 60.884 67.409 -12.219 233 ASN A 48 ASN^? 457 GLY A 30 GLY^? 459 GLU B 34 GLU^? ULMNm 3 1bhg_c02 BETA-GLUCURONIDASE user 2 3 RMSD = 1.05 A TRANSFORM 0.0384 0.9598 -0.2780 0.2705 -0.2778 -0.9218 -0.9620 -0.0398 -0.2703 43.209 97.886 108.394 A 451 GLU A 33 GLU^? A 504 TYR B 41 TYR^? A 540 GLU B 33 GLU^? ULMNm 3 1vom_c00 MYOSIN user 15 3 RMSD = 1.05 A TRANSFORM -0.2291 0.0341 0.9728 -0.2155 -0.9764 -0.0165 0.9493 -0.2135 0.2310 52.231 75.192 -48.656 233 ASN B 48 ASN^? 457 GLY B 30 GLY^? 459 GLU A 34 GLU^? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 3 3 RMSD = 1.13 A TRANSFORM 0.0154 0.5639 -0.8257 -0.8907 -0.3675 -0.2675 -0.4543 0.7396 0.4966 -17.414 30.371 -22.505 A 50 HIS B 35 HIS^? A 96 GLU A 33 GLU^? A 137 HIS A 35 HIS^? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 2 3 RMSD = 1.13 A TRANSFORM -0.0037 0.5785 0.8157 0.8813 -0.3835 0.2760 0.4725 0.7199 -0.5085 -31.024 -3.869 -29.475 A 50 HIS A 35 HIS^? A 96 GLU B 33 GLU^? A 137 HIS B 35 HIS^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 1 3 RMSD = 1.19 A TRANSFORM -0.0157 0.7186 0.6953 -0.3522 0.6468 -0.6764 -0.9358 -0.2555 0.2429 34.602 -45.534 -5.433 B 37 ASP A 15 ASP~? B 56 ILE A 31 ILE^? B 82 TYR A 45 TYR^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 3 3 RMSD = 1.20 A TRANSFORM 0.0454 0.6990 -0.7136 0.3617 0.6544 0.6640 0.9312 -0.2883 -0.2231 45.712 -69.052 -32.585 B 37 ASP B 15 ASP~? B 56 ILE B 31 ILE^? B 82 TYR B 45 TYR^? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 1 3 RMSD = 1.21 A TRANSFORM -0.0222 0.7226 0.6909 -0.3804 0.6329 -0.6743 -0.9246 -0.2778 0.2608 31.627 -28.108 23.078 A 37 ASP A 15 ASP~? A 56 ILE A 31 ILE^? A 82 TYR A 45 TYR^? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 3 3 RMSD = 1.22 A TRANSFORM 0.0520 0.7031 -0.7092 0.3895 0.6397 0.6627 0.9196 -0.3107 -0.2406 42.441 -52.530 -3.386 A 37 ASP B 15 ASP~? A 56 ILE B 31 ILE^? A 82 TYR B 45 TYR^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.27 A TRANSFORM -0.4472 -0.8056 -0.3886 -0.8489 0.5192 -0.0993 0.2818 0.2855 -0.9160 27.224 0.606 -4.765 141 ASP A 50 ASP.? 166 GLY B 36 GLY.? 169 GLU B 33 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.29 A TRANSFORM -0.5229 -0.8271 -0.2060 -0.8309 0.4407 0.3396 -0.1901 0.3487 -0.9177 27.588 1.603 -3.638 141 ASP A 50 ASP.? 166 GLY B 36 GLY.? 169 GLU A 33 GLU^? ULMNm 3 1cns_c00 CHITINASE user 2 3 RMSD = 1.30 A TRANSFORM -0.3801 0.5935 0.7094 0.2280 -0.6832 0.6937 0.8964 0.4255 0.1244 -34.184 19.432 46.915 A 67 GLU A 52 GLU^? A 89 GLU A 96 GLU~? A 120 SER A 100 SER.? ULMNm 3 1vom_c00 MYOSIN user 12 3 RMSD = 1.30 A TRANSFORM -0.0634 0.1291 -0.9896 0.5653 -0.8125 -0.1422 -0.8225 -0.5684 -0.0214 71.266 51.360 12.451 233 ASN B 48 ASN^? 457 GLY A 36 GLY.? 459 GLU A 37 GLU.? ULMNm 3 1vom_c00 MYOSIN user 6 3 RMSD = 1.32 A TRANSFORM 0.0937 0.1657 0.9817 -0.5684 -0.8007 0.1894 0.8174 -0.5757 0.0191 51.561 67.854 -15.884 233 ASN A 48 ASN^? 457 GLY B 36 GLY.? 459 GLU B 37 GLU.? ULMNm 3 2dbt_c00 CHITINASE C user 3 3 RMSD = 1.33 A TRANSFORM -0.0233 -0.1687 -0.9854 -0.5246 -0.8370 0.1557 -0.8510 0.5206 -0.0690 79.647 62.827 -4.631 A 147 GLU A 11 GLU~? A 156 GLU A 33 GLU^? A 194 ASN B 39 ASN.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.37 A TRANSFORM 0.4498 -0.7778 0.4390 0.8646 0.5024 0.0042 -0.2238 0.3776 0.8985 3.923 -29.088 -14.638 141 ASP B 50 ASP.? 166 GLY A 36 GLY.? 169 GLU A 33 GLU^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.37 A TRANSFORM -0.2915 -0.9525 0.0879 0.7325 -0.1632 0.6609 -0.6151 0.2570 0.7453 59.171 8.238 -26.487 A 465 GLY A 66 GLY.? A 501 ASP A 15 ASP~? B 367 TYR B 24 TYR~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 8 3 RMSD = 1.38 A TRANSFORM 0.5252 -0.8105 0.2594 0.8152 0.3918 -0.4265 0.2440 0.4355 0.8665 5.017 -18.292 -29.037 141 ASP B 50 ASP.? 166 GLY A 36 GLY.? 169 GLU B 33 GLU^? ULMNm 3 1vom_c00 MYOSIN user 5 3 RMSD = 1.38 A TRANSFORM -0.4260 0.5157 -0.7434 0.3221 -0.6813 -0.6573 -0.8455 -0.5194 0.1241 51.079 61.076 -5.730 233 ASN A 48 ASN^? 457 GLY B 36 GLY.? 459 GLU B 34 GLU^? ULMNm 3 1vom_c00 MYOSIN user 11 3 RMSD = 1.38 A TRANSFORM 0.4438 0.5383 0.7164 -0.3228 -0.6497 0.6882 0.8360 -0.5367 -0.1145 23.409 60.023 -32.018 233 ASN B 48 ASN^? 457 GLY A 36 GLY.? 459 GLU A 34 GLU^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.39 A TRANSFORM 0.2696 -0.9613 -0.0569 -0.7342 -0.1669 -0.6581 0.6231 0.2192 -0.7508 50.924 44.271 -34.178 A 465 GLY B 66 GLY.? A 501 ASP B 15 ASP~? B 367 TYR A 24 TYR~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.42 A TRANSFORM -0.7801 -0.4580 -0.4263 -0.2170 0.8370 -0.5024 0.5869 -0.2994 -0.7523 69.176 28.696 -36.674 D 465 GLY A 66 GLY.? D 501 ASP A 15 ASP~? E 367 TYR B 24 TYR~? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 2 3 RMSD = 1.44 A TRANSFORM -0.1381 -0.9671 0.2137 -0.3359 -0.1573 -0.9287 0.9317 -0.2000 -0.3031 62.791 43.621 -1.079 I 303 TYR A 45 TYR^? I 306 VAL A 43 VAL^? I 308 VAL A 9 VAL~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.44 A TRANSFORM 0.7680 -0.4623 0.4433 0.2348 0.8471 0.4767 -0.5959 -0.2620 0.7591 35.621 12.701 -30.052 D 465 GLY B 66 GLY.? D 501 ASP B 15 ASP~? E 367 TYR A 24 TYR~? ULMNm 3 1lci_c00 LUCIFERASE user 2 3 RMSD = 1.44 A TRANSFORM 0.0077 -0.9783 -0.2069 0.8758 -0.0933 0.4735 -0.4826 -0.1849 0.8561 39.154 74.546 44.511 218 ARG B 82 ARG^? 245 HIS B 57 HIS^? 343 THR B 55 THR^? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 4 3 RMSD = 1.46 A TRANSFORM 0.1376 -0.9693 -0.2040 0.3242 -0.1505 0.9339 -0.9359 -0.1947 0.2935 61.643 16.832 26.021 I 303 TYR B 45 TYR^? I 306 VAL B 43 VAL^? I 308 VAL B 9 VAL~? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 1 3 RMSD = 1.46 A TRANSFORM -0.1023 0.1535 0.9828 0.1698 0.9762 -0.1348 -0.9802 0.1531 -0.1260 10.938 -20.511 20.513 A 16 TYR A 45 TYR^? A 40 ASP A 15 ASP~? A 103 LEU A 17 LEU~? ULMNm 3 2dbt_c02 CHITINASE C user 3 3 RMSD = 1.46 A TRANSFORM -0.3295 0.3379 0.8816 0.2843 0.9259 -0.2486 -0.9003 0.1688 -0.4012 32.329 -18.819 16.321 C 147 GLU A 11 GLU~? C 156 GLU A 33 GLU^? C 194 ASN B 39 ASN.? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 2 3 RMSD = 1.46 A TRANSFORM 0.1240 0.1202 -0.9850 -0.1479 0.9838 0.1014 0.9812 0.1331 0.1397 24.310 -17.217 -14.779 A 16 TYR B 45 TYR^? A 40 ASP B 15 ASP~? A 103 LEU B 17 LEU~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 8 3 RMSD = 1.47 A TRANSFORM -0.2821 -0.7998 -0.5299 -0.1101 -0.5217 0.8460 -0.9530 0.2970 0.0591 42.094 68.097 50.940 179 ASP B 27 ASP.? 227 GLU A 34 GLU^? 289 ASP B 50 ASP.? ULMNm 3 1vom_c00 MYOSIN user 9 3 RMSD = 1.47 A TRANSFORM 0.9529 0.2962 -0.0654 -0.2623 0.6965 -0.6679 -0.1523 0.6536 0.7413 44.630 15.337 -56.942 233 ASN B 39 ASN.? 457 GLY B 36 GLY.? 459 GLU B 37 GLU.? ULMNm 3 1vom_c00 MYOSIN user 16 3 RMSD = 1.49 A TRANSFORM -0.7626 0.1992 -0.6154 0.4456 -0.5278 -0.7231 -0.4688 -0.8257 0.3137 83.699 54.350 4.818 233 ASN B 48 ASN^? 457 GLY B 30 GLY^? 459 GLU A 37 GLU.? ULMNm 3 1vom_c00 MYOSIN user 4 3 RMSD = 1.49 A TRANSFORM 0.7509 0.2141 0.6247 -0.4563 -0.5156 0.7252 0.4774 -0.8296 -0.2895 47.072 57.352 -6.155 233 ASN A 48 ASN^? 457 GLY A 30 GLY^? 459 GLU B 37 GLU.? ULMNm 3 1vzz_c01 STEROID DELTA-ISOMERASE user 1 3 RMSD = 1.50 A TRANSFORM 0.0942 0.1482 0.9845 -0.1609 -0.9736 0.1620 0.9825 -0.1737 -0.0679 10.198 56.692 27.585 B 16 TYR A 45 TYR^? B 40 ASP A 15 ASP~? B 103 LEU A 17 LEU~?