*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.00 A TRANSFORM -0.6515 -0.7284 -0.2120 -0.3622 0.5442 -0.7568 -0.6667 0.4162 0.6184 81.394 32.439 -16.457 A 261 GLY A 70 GLY.? B 17 GLN A 89 GLN.? B 140 GLU A 69 GLU.? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 1 3 RMSD = 1.02 A TRANSFORM 0.4328 -0.8392 -0.3292 0.7354 0.5399 -0.4094 -0.5213 0.0649 -0.8509 32.240 89.961 57.686 B 194 SER A 15 SER.? B 292 ASP A 33 ASP.? B 322 HIS B 78 HIS^? ULMNm 3 1emh_d00 HYDROLASE/DNA user 10 3 RMSD = 1.09 A TRANSFORM -0.8750 0.3015 0.3789 0.0783 -0.6841 0.7252 -0.4778 -0.6641 -0.5750 15.247 -36.049 23.447 A 271 PRO B 98 PRO^? A 272 LEU B 99 LEU^? A 276 ARG B 24 ARG^? ULMNm 3 1emh_d00 HYDROLASE/DNA user 5 3 RMSD = 1.13 A TRANSFORM 0.9036 -0.2890 -0.3163 0.4266 0.5384 0.7268 0.0397 0.7916 -0.6097 7.227 -26.379 34.279 A 271 PRO A 98 PRO^? A 272 LEU A 99 LEU^? A 276 ARG A 24 ARG^? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 1 3 RMSD = 1.13 A TRANSFORM -0.1148 -0.0496 -0.9922 -0.4918 -0.8649 0.1002 0.8631 -0.4995 -0.0749 72.503 18.491 30.157 A 194 SER A 15 SER.? A 292 ASP A 33 ASP.? A 322 HIS B 78 HIS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.14 A TRANSFORM 0.1538 -0.9871 0.0445 0.1227 0.0638 0.9904 0.9804 0.1469 -0.1310 -25.470 -27.095 1.808 141 ASP B 81 ASP.? 166 GLY A 13 GLY^? 169 GLU A 26 GLU^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 4 3 RMSD = 1.19 A TRANSFORM 0.2701 -0.8069 -0.5253 0.5059 0.5831 -0.6356 -0.8192 0.0941 -0.5657 23.158 59.244 70.209 A 316 ALA B 79 ALA.? A 317 GLY B 80 GLY.? A 318 ASP B 81 ASP.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.22 A TRANSFORM -0.4531 0.8827 -0.1247 -0.8431 -0.4697 -0.2618 0.2897 0.0135 -0.9570 38.679 52.512 68.009 A 316 ALA A 79 ALA.? A 317 GLY A 80 GLY.? A 318 ASP A 81 ASP.? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 2 3 RMSD = 1.23 A TRANSFORM -0.1199 0.8814 -0.4569 -0.2934 -0.4711 -0.8319 0.9484 -0.0343 -0.3151 106.073 21.219 -6.808 A 261 GLY B 70 GLY.? B 17 GLN B 89 GLN.? B 140 GLU B 69 GLU.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.25 A TRANSFORM -0.0589 0.9586 0.2786 0.4494 -0.2238 0.8649 -0.8914 -0.1762 0.4176 -8.229 -30.625 5.445 141 ASP A 81 ASP.? 166 GLY B 13 GLY^? 169 GLU B 26 GLU^? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 6 3 RMSD = 1.26 A TRANSFORM 0.8031 -0.4549 -0.3849 -0.2697 -0.8535 0.4458 0.5313 0.2542 0.8081 92.032 33.309 -10.917 B 137 GLY B 45 GLY^? B 175 ARG B 92 ARG^? B 242 TYR B 65 TYR^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 4 3 RMSD = 1.27 A TRANSFORM 0.1934 0.3160 0.9288 0.8080 -0.5883 0.0319 -0.5565 -0.7443 0.3691 117.271 -4.067 -34.202 A 316 ALA B 79 ALA.? A 317 GLY B 80 GLY.? A 318 ASP B 81 ASP.? ULMNm 3 1qrz_c12 PLASMINOGEN user 1 3 RMSD = 1.28 A TRANSFORM -0.4851 0.4758 0.7337 -0.2397 0.7346 -0.6348 0.8410 0.4838 0.2423 -29.439 26.652 22.655 A 603 HIS A 43 HIS.? A 646 ASP A 21 ASP.? A 741 SER A 25 SER^? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 3 3 RMSD = 1.30 A TRANSFORM 0.1827 -0.3986 -0.8987 0.5890 -0.6876 0.4247 0.7872 0.6069 -0.1092 130.756 57.280 -6.000 B 137 GLY A 70 GLY.? B 175 ARG A 92 ARG^? B 242 TYR A 66 TYR^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.30 A TRANSFORM 0.3797 -0.4769 0.7927 -0.5605 0.5631 0.6073 0.7360 0.6749 0.0535 110.162 7.821 -24.426 A 316 ALA A 79 ALA.? A 317 GLY A 80 GLY.? A 318 ASP A 81 ASP.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 4 3 RMSD = 1.30 A TRANSFORM -0.9048 -0.4106 -0.1130 0.4009 -0.9107 0.0993 0.1437 -0.0446 -0.9886 15.249 -53.390 -14.023 B 250 ALA B 79 ALA.? B 251 GLY B 80 GLY.? B 252 ASP B 81 ASP.? ULMNm 3 1emh_d00 HYDROLASE/DNA user 7 3 RMSD = 1.31 A TRANSFORM -0.9604 0.2760 0.0382 -0.0723 -0.3793 0.9224 -0.2690 -0.8831 -0.3843 25.133 -32.370 11.003 A 271 PRO B 44 PRO.? A 272 LEU B 99 LEU^? A 276 ARG B 24 ARG^? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 1 3 RMSD = 1.31 A TRANSFORM -0.9401 -0.3313 0.0802 0.0867 -0.0047 0.9962 0.3296 -0.9435 -0.0332 -10.906 7.516 31.284 A1132 ASP A 73 ASP.? A1134 ALA A 71 ALA.? A1137 ASN A 72 ASN.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 4 3 RMSD = 1.32 A TRANSFORM -0.6146 0.7587 0.2158 0.7879 0.6036 0.1219 0.0378 -0.2450 0.9688 43.235 -9.548 -46.490 A 250 ALA B 79 ALA.? A 251 GLY B 80 GLY.? A 252 ASP B 81 ASP.? ULMNm 3 1qrz_c14 PLASMINOGEN user 1 3 RMSD = 1.32 A TRANSFORM -0.9511 -0.3090 -0.0046 0.2275 -0.7102 0.6662 0.2091 -0.6326 -0.7457 9.964 -33.352 19.395 C 603 HIS A 43 HIS.? C 646 ASP A 21 ASP.? C 741 SER A 25 SER^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.33 A TRANSFORM 0.6863 0.4361 -0.5820 -0.1670 0.8734 0.4575 -0.7079 0.2168 -0.6722 19.743 -37.512 -10.304 B 250 ALA A 79 ALA.? B 251 GLY A 80 GLY.? B 252 ASP A 81 ASP.? ULMNm 3 1qrz_c13 PLASMINOGEN user 1 3 RMSD = 1.34 A TRANSFORM -0.5043 0.4974 0.7058 -0.2621 0.6907 -0.6740 0.8228 0.5249 0.2180 -55.947 27.511 -14.531 B 603 HIS A 43 HIS.? B 646 ASP A 21 ASP.? B 741 SER A 25 SER^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.35 A TRANSFORM 0.5418 -0.7764 -0.3219 -0.6080 -0.6265 0.4877 0.5803 0.0685 0.8115 28.433 -17.529 -44.876 A 250 ALA A 79 ALA.? A 251 GLY A 80 GLY.? A 252 ASP A 81 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.35 A TRANSFORM -0.1859 -0.8859 -0.4250 -0.0665 -0.4202 0.9050 0.9803 -0.1965 -0.0192 6.960 -12.198 -15.260 141 ASP B 21 ASP.? 166 GLY A 62 GLY^? 169 GLU A 76 GLU^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 1.35 A TRANSFORM 0.1168 -0.9323 -0.3424 -0.5929 0.2111 -0.7771 -0.7968 -0.2937 0.5281 23.648 77.333 27.389 A 316 ALA B 32 ALA.? A 317 GLY B 34 GLY.? A 318 ASP B 33 ASP.? ULMNm 3 1qrz_c15 PLASMINOGEN user 1 3 RMSD = 1.36 A TRANSFORM -0.9332 -0.3571 0.0399 0.2911 -0.6864 0.6665 0.2106 -0.6336 -0.7445 -45.762 -33.561 57.553 D 603 HIS A 43 HIS.? D 646 ASP A 21 ASP.? D 741 SER A 25 SER^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.36 A TRANSFORM -0.1730 0.9830 0.0615 0.0099 0.0642 -0.9979 0.9849 0.1721 0.0209 33.844 74.137 25.229 A 316 ALA A 32 ALA.? A 317 GLY A 34 GLY.? A 318 ASP A 33 ASP.? ULMNm 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 7 3 RMSD = 1.38 A TRANSFORM -0.2598 -0.9554 0.1403 -0.4940 0.0067 -0.8695 -0.8298 0.2952 0.4737 -29.249 48.489 15.900 A 630 SER B 104 SER.? A 709 ASP B 33 ASP.? A 740 HIS B 37 HIS.? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 1 3 RMSD = 1.38 A TRANSFORM 0.1380 -0.9815 0.1331 0.9884 0.1278 -0.0818 -0.0633 -0.1428 -0.9877 2.873 -17.961 20.484 14 ASP A 73 ASP.? 16 HIS A 67 HIS^? 67 GLY A 62 GLY^? ULMNm 3 1emh_d00 HYDROLASE/DNA user 2 3 RMSD = 1.38 A TRANSFORM 0.7526 -0.1889 -0.6308 0.6585 0.2084 0.7232 0.0052 0.9596 -0.2812 18.333 -28.477 25.161 A 271 PRO A 44 PRO.? A 272 LEU A 99 LEU^? A 276 ARG A 24 ARG^? ULMNm 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 7 3 RMSD = 1.39 A TRANSFORM 0.4432 0.7985 0.4074 -0.1605 0.5178 -0.8403 0.8820 -0.3070 -0.3576 -0.138 58.194 22.455 B 630 SER B 104 SER.? B 709 ASP B 33 ASP.? B 740 HIS B 37 HIS.? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 3 3 RMSD = 1.39 A TRANSFORM -0.1430 0.9640 0.2244 -0.6203 -0.2639 0.7386 -0.7712 0.0336 -0.6357 25.402 -26.952 15.604 14 ASP B 73 ASP.? 16 HIS B 67 HIS^? 67 GLY B 62 GLY^? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 6 3 RMSD = 1.39 A TRANSFORM 0.7641 -0.1546 -0.6262 0.6361 0.0192 0.7714 0.1072 0.9878 -0.1130 -28.176 -37.612 -2.305 B 114 HIS B 37 HIS.? B 197 ASP B 33 ASP.? B 223 ALA B 11 ALA^? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 6 3 RMSD = 1.40 A TRANSFORM -0.7623 0.1687 0.6248 -0.6470 -0.1755 -0.7420 0.0155 0.9699 -0.2430 -65.395 30.898 3.390 A 114 HIS B 37 HIS.? A 197 ASP B 33 ASP.? A 223 ALA B 11 ALA^? ULMNm 3 1cns_c00 CHITINASE user 1 3 RMSD = 1.41 A TRANSFORM 0.4827 -0.2733 0.8321 0.2188 -0.8823 -0.4167 -0.8480 -0.3832 0.3661 -58.941 27.342 58.038 A 67 GLU A 55 GLU^? A 89 GLU A 52 GLU.? A 120 SER A 50 SER.? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 2 3 RMSD = 1.43 A TRANSFORM -0.3898 -0.1574 0.9073 -0.5156 -0.7790 -0.3567 -0.7630 0.6069 -0.2225 0.222 22.491 35.308 I 303 TYR B 65 TYR^? I 306 VAL B 95 VAL^? I 308 VAL B 46 VAL^? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 2 3 RMSD = 1.44 A TRANSFORM -0.5294 -0.7533 0.3903 -0.6115 0.0199 -0.7910 -0.5880 0.6574 0.4712 1.335 68.997 12.694 B 1 SER A 51 SER.? B 69 ALA A 87 ALA.? B 241 ASN A 88 ASN.? ULMNm 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 4 3 RMSD = 1.45 A TRANSFORM 0.8557 0.4689 -0.2188 0.4662 -0.8821 -0.0675 0.2247 0.0442 0.9734 29.960 69.273 -4.637 A 225 HIS B 78 HIS^? A 259 TYR B 65 TYR^? A 552 ASP A 4 ASP.? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 1.45 A TRANSFORM 0.2873 -0.1730 0.9421 -0.5979 -0.8008 0.0352 -0.7483 0.5734 0.3335 -58.828 4.518 -30.356 G 51 ALA A 71 ALA.? G 148 HIS A 67 HIS^? G 163 ASP A 73 ASP.? ULMNm 3 2odj_o01 PORIN D user 10 3 RMSD = 1.45 A TRANSFORM -0.9559 -0.2087 0.2069 -0.1647 0.9635 0.2110 0.2433 -0.1676 0.9554 -11.159 15.523 40.225 B 156 HIS B 78 HIS^? B 208 ASP B 73 ASP.? B 296 SER B 105 SER.? ULMNm 3 2odj_o01 PORIN D user 3 3 RMSD = 1.48 A TRANSFORM 0.4864 0.6801 -0.5485 -0.7743 0.6264 0.0901 -0.4048 -0.3809 -0.8313 0.524 1.881 114.123 B 156 HIS A 78 HIS.? B 208 ASP A 4 ASP.? B 296 SER A 28 SER^? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 1.48 A TRANSFORM 0.6790 0.7322 -0.0527 0.3282 -0.2386 0.9140 -0.6567 0.6379 0.4023 -21.194 -43.015 36.075 D 51 ALA A 71 ALA.? D 148 HIS A 67 HIS^? D 163 ASP A 73 ASP.? ULMNm 3 1emh_d00 HYDROLASE/DNA user 3 3 RMSD = 1.49 A TRANSFORM 0.7799 -0.0056 -0.6259 0.1462 -0.9707 0.1909 0.6086 0.2404 0.7562 18.122 -13.357 -11.350 A 271 PRO A 98 PRO^? A 272 LEU A 41 LEU.? A 276 ARG A 24 ARG^?