*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1cbx_c01 CARBOXYPEPTIDASE A (E.C.3.4.17.1) COuser 1 3 RMSD = 0.90 A TRANSFORM 0.6523 -0.2733 0.7070 0.7579 0.2296 -0.6106 0.0046 0.9341 0.3569 -28.323 39.132 -47.564 71 ARG A 95 ARG^? 127 ARG A 98 ARG^? 270 GLU A 47 GLU^? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 3 3 RMSD = 0.94 A TRANSFORM -0.8390 0.0650 -0.5403 -0.0653 0.9736 0.2185 0.5402 0.2186 -0.8126 65.948 -4.499 17.474 A 46 HIS B 61 HIS^? A 105 GLU A 47 GLU^? A 109 HIS A 61 HIS^? ULMNm 3 5cpa_c01 CARBOXYPEPTIDASE A=ALPHA= (COX) (E.Cuser 1 3 RMSD = 1.02 A TRANSFORM 0.6735 -0.2864 0.6815 0.7391 0.2421 -0.6287 0.0151 0.9270 0.3747 -26.893 39.426 -47.710 71 ARG A 95 ARG^? 127 ARG A 98 ARG^? 270 GLU A 47 GLU^? ULMNm 3 1cbx_c01 CARBOXYPEPTIDASE A (E.C.3.4.17.1) COuser 5 3 RMSD = 1.02 A TRANSFORM 0.8986 -0.1050 -0.4261 0.3377 -0.4545 0.8243 -0.2802 -0.8846 -0.3729 8.424 7.758 38.342 71 ARG B 95 ARG^? 127 ARG B 98 ARG^? 270 GLU B 47 GLU^? ULMNm 3 5cpa_c01 CARBOXYPEPTIDASE A=ALPHA= (COX) (E.Cuser 6 3 RMSD = 1.06 A TRANSFORM 0.9138 -0.1020 -0.3932 0.3085 -0.4551 0.8353 -0.2642 -0.8846 -0.3844 7.146 7.417 39.075 71 ARG B 95 ARG^? 127 ARG B 98 ARG^? 270 GLU B 47 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.14 A TRANSFORM 0.2351 0.9715 0.0303 0.2830 -0.0983 0.9541 0.9299 -0.2157 -0.2980 -36.698 -9.489 21.191 141 ASP A 80 ASP~? 166 GLY A 56 GLY^? 169 GLU A 53 GLU.? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 2 3 RMSD = 1.21 A TRANSFORM -0.9249 0.2863 0.2503 -0.3484 -0.9018 -0.2557 0.1525 -0.3237 0.9338 29.496 72.672 -30.195 A 46 HIS A 61 HIS^? A 105 GLU B 47 GLU^? A 109 HIS B 61 HIS^? ULMNm 3 2odj_o01 PORIN D user 1 3 RMSD = 1.23 A TRANSFORM -0.3383 0.8844 0.3215 0.1443 0.3864 -0.9110 -0.9299 -0.2618 -0.2584 -41.950 11.663 102.742 B 156 HIS A 61 HIS^? B 208 ASP A 100 ASP.? B 296 SER B 5 SER.? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 1 3 RMSD = 1.34 A TRANSFORM 0.6905 -0.1866 -0.6989 0.1350 -0.9159 0.3779 -0.7106 -0.3553 -0.6072 67.896 44.691 36.432 A 46 HIS A 61 HIS^? A 105 GLU A 47 GLU^? A 109 HIS B 61 HIS^? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 3 3 RMSD = 1.36 A TRANSFORM -0.8341 0.5492 0.0518 0.5513 0.8264 0.1142 0.0200 0.1238 -0.9921 -22.063 8.176 81.907 B 1 SER B 19 SER~? B 69 ALA B 17 ALA.? B 241 ASN B 54 ASN.? ULMNm 3 1vom_c00 MYOSIN user 2 3 RMSD = 1.39 A TRANSFORM 0.4573 0.1881 0.8692 -0.6428 0.7453 0.1769 -0.6146 -0.6396 0.4617 18.314 -1.057 -22.294 233 ASN B 52 ASN.? 457 GLY A 93 GLY^? 459 GLU A 92 GLU^? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 4 3 RMSD = 1.39 A TRANSFORM -0.0023 0.2150 -0.9766 1.0000 0.0100 -0.0002 0.0097 -0.9766 -0.2150 16.483 48.810 119.228 B 34 SER B 55 SER^? B 37 ASN B 54 ASN.? B 45 THR B 84 THR~? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 2 3 RMSD = 1.45 A TRANSFORM 0.0010 -0.1736 0.9848 0.8602 -0.5020 -0.0893 0.5099 0.8473 0.1489 -40.170 62.632 46.887 B 34 SER A 55 SER^? B 37 ASN A 54 ASN.? B 45 THR A 84 THR~? ULMNm 3 1asy_c00 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 1 3 RMSD = 1.45 A TRANSFORM 0.5780 0.4844 0.6567 0.6000 0.2933 -0.7443 -0.5531 0.8242 -0.1211 25.587 50.957 -40.995 B 325 ARG A 11 ARG^? B 342 ASP A 73 ASP~? B 531 ARG A 83 ARG~? ULMNm 3 1a50_c03 TRYPTOPHAN SYNTHASE user 2 3 RMSD = 1.45 A TRANSFORM 0.1001 0.9848 -0.1423 -0.8598 0.0136 -0.5105 -0.5008 0.1734 0.8480 8.429 46.556 -17.802 A 49 GLU A 92 GLU^? A 60 ASP A 73 ASP~? A 175 TYR A 62 TYR^? ULMNm 3 1qgn_c20 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.46 A TRANSFORM 0.1825 0.7312 -0.6573 -0.9417 -0.0621 -0.3306 -0.2825 0.6793 0.6773 73.587 3.348 -100.228 E 110 ARG B 11 ARG^? G 163 TYR B 9 TYR^? G 236 ASP B 64 ASP~? ULMNm 3 1cs1_c00 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.46 A TRANSFORM -0.6680 -0.5931 0.4494 0.7411 -0.5850 0.3295 0.0675 0.5531 0.8304 21.405 -4.935 -13.623 A 101 TYR B 9 TYR^? A 173 ASP B 64 ASP~? C 48 ARG B 11 ARG^? ULMNm 3 1qgn_c16 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.46 A TRANSFORM 0.9233 0.0380 0.3822 0.2366 0.7274 -0.6441 -0.3025 0.6851 0.6626 24.051 42.600 -22.004 A 110 ARG B 11 ARG^? C 163 TYR B 9 TYR^? C 236 ASP B 64 ASP~? ULMNm 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 2 3 RMSD = 1.46 A TRANSFORM 0.3709 0.8704 -0.3236 0.6818 -0.4919 -0.5415 -0.6305 -0.0198 -0.7759 -12.038 41.410 49.996 159 ARG B 95 ARG^? 229 SER A 45 SER^? 325 GLU A 47 GLU^? ULMNm 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.46 A TRANSFORM 0.5877 0.7523 -0.2978 -0.6036 0.1625 -0.7806 -0.5388 0.6385 0.5496 67.387 37.047 -5.919 B 48 ARG B 11 ARG^? D 101 TYR B 9 TYR^? D 173 ASP B 64 ASP~? ULMNm 3 1qgn_c17 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.47 A TRANSFORM 0.4701 -0.6208 0.6273 -0.8673 -0.4569 0.1977 0.1639 -0.6370 -0.7532 10.480 -8.319 79.422 B 110 ARG B 11 ARG^? D 163 TYR B 9 TYR^? D 236 ASP B 64 ASP~? ULMNm 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.47 A TRANSFORM -0.4097 0.5522 -0.7261 0.8549 0.5102 -0.0943 0.3184 -0.6594 -0.6811 70.902 18.790 76.394 A 163 TYR B 9 TYR^? A 236 ASP B 64 ASP~? C 110 ARG B 11 ARG^? ULMNm 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.48 A TRANSFORM 0.8824 0.4646 -0.0739 0.3691 -0.5864 0.7210 0.2917 -0.6635 -0.6889 48.808 -40.306 -0.734 E 163 TYR B 9 TYR^? E 236 ASP B 64 ASP~? G 110 ARG B 11 ARG^? ULMNm 3 1qgn_c19 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.48 A TRANSFORM -0.9583 0.0666 -0.2780 -0.2201 -0.7923 0.5690 -0.1824 0.6064 0.7739 42.906 -20.777 -26.509 B 163 TYR B 9 TYR^? B 236 ASP B 64 ASP~? D 110 ARG B 11 ARG^? ULMNm 3 1qgn_c21 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.48 A TRANSFORM -0.8979 -0.4222 0.1250 -0.3978 0.6562 -0.6413 0.1887 -0.6255 -0.7571 25.957 21.344 1.690 F 110 ARG B 11 ARG^? H 163 TYR B 9 TYR^? H 236 ASP B 64 ASP~? ULMNm 3 1qgn_c23 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.48 A TRANSFORM -0.1750 -0.7938 0.5824 0.9650 -0.0209 0.2615 -0.1954 0.6078 0.7697 9.924 -11.372 -103.836 F 163 TYR B 9 TYR^? F 236 ASP B 64 ASP~? H 110 ARG B 11 ARG^? ULMNm 3 1cs1_c01 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.49 A TRANSFORM -0.6741 -0.7040 0.2233 -0.7284 0.5835 -0.3592 0.1226 -0.4048 -0.9061 35.866 6.656 96.175 A 48 ARG B 11 ARG^? C 101 TYR B 9 TYR^? C 173 ASP B 64 ASP~?