*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 3nwu_o00 SERINE PROTEASE HTRA1 user 1 3 RMSD = 0.99 A TRANSFORM -0.9964 0.0805 -0.0267 0.0711 0.6225 -0.7794 -0.0461 -0.7785 -0.6259 13.818 40.751 -8.202 A 220 HIS A 45 HIS.? A 250 ASP A 115 ASP^? A 328 SER A 110 SER~? ULMNm 3 3nwu_o01 SERINE PROTEASE HTRA1 user 1 3 RMSD = 0.99 A TRANSFORM 0.0062 0.8519 0.5237 -0.9921 0.0710 -0.1038 -0.1256 -0.5189 0.8455 -59.846 110.013 -13.086 B 220 HIS A 45 HIS.? B 250 ASP A 115 ASP^? B 328 SER A 110 SER~? ULMNm 3 3nwu_o02 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.00 A TRANSFORM -0.0028 0.5869 -0.8097 -0.0692 0.8076 0.5856 0.9976 0.0577 0.0383 -50.209 40.915 -85.769 C 220 HIS A 45 HIS.? C 250 ASP A 115 ASP^? C 328 SER A 110 SER~? ULMNm 3 1c82_c00 HYALURONATE LYASE user 1 3 RMSD = 1.03 A TRANSFORM -0.3567 0.7552 -0.5499 0.6000 0.6364 0.4848 0.7161 -0.1571 -0.6801 18.969 -37.204 9.959 A 349 ASN A 33 ASN~? A 399 HIS A 40 HIS^? A 408 TYR A 92 TYR^? ULMNm 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.05 A TRANSFORM -0.9311 0.2392 -0.2752 -0.2456 -0.9693 -0.0117 -0.2695 0.0567 0.9613 110.525 96.668 34.356 D 98 SER A 46 SER.? D 123 HIS A 45 HIS.? D 172 ASP A 115 ASP^? ULMNm 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.07 A TRANSFORM -0.4721 0.8815 -0.0116 -0.8763 -0.4707 -0.1027 -0.0960 -0.0383 0.9946 60.970 129.754 24.813 E 98 SER A 46 SER.? E 123 HIS A 45 HIS.? E 172 ASP A 115 ASP^? ULMNm 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.07 A TRANSFORM 0.9185 0.2142 0.3324 -0.3278 0.8825 0.3373 -0.2211 -0.4187 0.8808 -22.500 57.918 42.418 G 98 SER A 46 SER.? G 123 HIS A 45 HIS.? G 172 ASP A 115 ASP^? ULMNm 3 3qwd_o05 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.07 A TRANSFORM 0.3621 0.8892 0.2796 -0.9288 0.3694 0.0279 -0.0785 -0.2698 0.9597 0.964 113.668 28.579 F 98 SER A 46 SER.? F 123 HIS A 45 HIS.? F 172 ASP A 115 ASP^? ULMNm 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.08 A TRANSFORM 0.1869 0.9503 0.2492 -0.9795 0.1997 -0.0269 -0.0753 -0.2390 0.9681 98.426 93.743 77.944 J 98 SER A 46 SER.? J 123 HIS A 45 HIS.? J 172 ASP A 115 ASP^? ULMNm 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.08 A TRANSFORM 0.8539 -0.4784 0.2049 0.3304 0.8026 0.4967 -0.4020 -0.3564 0.8434 84.799 -13.785 104.813 L 98 SER A 46 SER.? L 123 HIS A 45 HIS.? L 172 ASP A 115 ASP^? ULMNm 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.08 A TRANSFORM -0.9566 0.0540 -0.2864 -0.0697 -0.9966 0.0448 -0.2830 0.0628 0.9571 202.494 57.414 85.330 H 98 SER A 46 SER.? H 123 HIS A 45 HIS.? H 172 ASP A 115 ASP^? ULMNm 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.08 A TRANSFORM -0.7086 -0.6106 -0.3537 0.5359 -0.7918 0.2932 -0.4591 0.0182 0.8882 114.262 36.368 49.517 C 98 SER A 46 SER.? C 123 HIS A 45 HIS.? C 172 ASP A 115 ASP^? ULMNm 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.08 A TRANSFORM -0.5965 -0.7463 -0.2954 0.6630 -0.6656 0.3426 -0.4523 0.0085 0.8918 195.171 -2.488 99.554 N 98 SER A 46 SER.? N 123 HIS A 45 HIS.? N 172 ASP A 115 ASP^? ULMNm 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.08 A TRANSFORM -0.6025 0.7977 -0.0257 -0.7926 -0.6019 -0.0976 -0.0934 -0.0384 0.9949 158.966 99.548 74.603 I 98 SER A 46 SER.? I 123 HIS A 45 HIS.? I 172 ASP A 115 ASP^? ULMNm 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.09 A TRANSFORM 0.0581 -0.9814 -0.1831 0.8518 -0.0469 0.5218 -0.5207 -0.1862 0.8332 68.393 -3.935 58.558 B 98 SER A 46 SER.? B 123 HIS A 45 HIS.? B 172 ASP A 115 ASP^? ULMNm 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.09 A TRANSFORM 0.2054 -0.9751 -0.0836 0.8260 0.1269 0.5492 -0.5249 -0.1819 0.8315 143.162 -33.649 109.207 M 98 SER A 46 SER.? M 123 HIS A 45 HIS.? M 172 ASP A 115 ASP^? ULMNm 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.09 A TRANSFORM 0.8412 0.3816 0.3830 -0.4950 0.8286 0.2616 -0.2176 -0.4096 0.8859 64.696 43.586 91.799 K 98 SER A 46 SER.? K 123 HIS A 45 HIS.? K 172 ASP A 115 ASP^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.09 A TRANSFORM -0.5572 0.5472 -0.6245 -0.7769 -0.0780 0.6248 0.2932 0.8333 0.4686 44.516 30.496 26.830 A 316 ALA A 55 ALA^? A 317 GLY A 56 GLY.? A 318 ASP A 98 ASP.? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.11 A TRANSFORM 0.7588 -0.6379 0.1317 0.4984 0.6988 0.5131 -0.4193 -0.3237 0.8482 8.490 4.615 55.556 A 98 SER A 46 SER.? A 123 HIS A 45 HIS.? A 172 ASP A 115 ASP^? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.11 A TRANSFORM 0.7588 -0.6379 0.1317 0.4984 0.6988 0.5131 -0.4193 -0.3237 0.8482 8.490 4.615 55.556 A 98 SER A 46 SER.? A 123 HIS A 45 HIS.? A 172 ASP A 115 ASP^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.16 A TRANSFORM 0.4422 -0.8913 -0.1003 -0.6059 -0.2144 -0.7661 0.6613 0.3995 -0.6349 139.934 40.789 -9.882 A 316 ALA A 55 ALA^? A 317 GLY A 56 GLY.? A 318 ASP A 98 ASP.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.16 A TRANSFORM 0.6340 0.7692 -0.0796 -0.2555 0.1112 -0.9604 -0.7299 0.6292 0.2670 2.505 -5.302 -39.772 B 250 ALA A 55 ALA^? B 251 GLY A 56 GLY.? B 252 ASP A 98 ASP.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.16 A TRANSFORM 0.6129 -0.1494 0.7759 -0.5345 -0.8016 0.2679 0.5819 -0.5789 -0.5711 5.100 -6.770 -5.761 A 250 ALA A 55 ALA^? A 251 GLY A 56 GLY.? A 252 ASP A 98 ASP.? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.17 A TRANSFORM -0.1742 0.6860 -0.7065 0.8082 -0.3102 -0.5005 -0.5625 -0.6582 -0.5004 -35.539 -38.163 -0.797 G 51 ALA A 39 ALA.? G 148 HIS A 40 HIS^? G 163 ASP A 32 ASP~? ULMNm 3 1et0_c02 4-AMINO-4-DEOXYCHORISMATE LYASE user 3 3 RMSD = 1.17 A TRANSFORM -0.3010 0.5546 0.7758 -0.5745 -0.7548 0.3167 0.7612 -0.3503 0.5458 -0.691 29.421 36.097 A 38 THR A 95 THR^? A 159 LYS A 27 LYS^? A 193 GLU A 49 GLU^? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 1 3 RMSD = 1.19 A TRANSFORM 0.1252 -0.7325 0.6692 0.6291 -0.4629 -0.6245 0.7672 0.4992 0.4028 6.562 51.567 65.202 A 270 ASN A 19 ASN.? A 384 ASN A 9 ASN.? A 385 GLU A 7 GLU.? ULMNm 3 1cb8_c00 CHONDROITINASE AC user 1 3 RMSD = 1.19 A TRANSFORM -0.3807 0.7960 -0.4706 -0.9173 -0.2607 0.3011 0.1170 0.5463 0.8294 33.925 60.004 39.740 A 175 ASN A 33 ASN~? A 225 HIS A 40 HIS^? A 234 TYR A 92 TYR^? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.22 A TRANSFORM 0.2187 -0.9327 0.2866 0.4963 -0.1466 -0.8557 0.8402 0.3294 0.4308 3.907 -36.436 -69.402 E 51 ALA A 39 ALA.? E 148 HIS A 40 HIS^? E 163 ASP A 32 ASP~? ULMNm 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.25 A TRANSFORM -0.5452 0.8383 0.0029 0.5730 0.3700 0.7313 0.6120 0.4003 -0.6821 47.767 3.634 59.881 D 107 ASP A 32 ASP~? D 246 ASP A 115 ASP^? D 275 HIS A 40 HIS^? ULMNm 3 1bgl_c08 BETA-GALACTOSIDASE user 1 3 RMSD = 1.25 A TRANSFORM -0.1391 -0.0417 -0.9894 0.9897 0.0294 -0.1404 0.0349 -0.9987 0.0372 30.952 109.742 10.836 A 461 GLU A 42 GLU^? A 503 TYR A 103 TYR^? A 537 GLU A 49 GLU^? ULMNm 3 1t0u_c01 URIDINE PHOSPHORYLASE user 1 3 RMSD = 1.27 A TRANSFORM -0.3093 -0.7014 -0.6422 -0.2326 -0.5990 0.7662 -0.9221 0.3864 0.0221 -14.521 21.090 -4.447 B 8 HIS A 45 HIS.? B 80 GLU A 88 GLU.? B 223 ARG A 132 ARG~? ULMNm 3 3iu0_o00 PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANuser 2 3 RMSD = 1.28 A TRANSFORM 0.8621 0.4002 -0.3108 -0.3737 0.9164 0.1436 0.3423 -0.0077 0.9396 -35.175 -4.326 -18.510 A 110 CYH A 117 CYH^? A 301 ASP A 118 ASP^? A 320 HIS A 40 HIS^? ULMNm 3 1qrz_c15 PLASMINOGEN user 2 3 RMSD = 1.34 A TRANSFORM 0.8383 0.4809 0.2571 -0.1325 0.6369 -0.7595 -0.5289 0.6026 0.5976 -87.652 1.030 64.319 D 603 HIS A 44 HIS^? D 646 ASP A 106 ASP^? D 741 SER A 114 SER^? ULMNm 3 2dbt_c02 CHITINASE C user 9 3 RMSD = 1.35 A TRANSFORM -0.1160 -0.7633 0.6356 0.9904 -0.1370 0.0163 0.0747 0.6314 0.7719 40.561 -16.020 12.193 C 147 GLU A 88 GLU.? C 156 GLU A 64 GLU^? C 194 ASN A 84 ASN^? ULMNm 3 1qrz_c12 PLASMINOGEN user 2 3 RMSD = 1.35 A TRANSFORM 0.7625 -0.4049 -0.5046 0.1041 -0.6930 0.7134 -0.6386 -0.5965 -0.4862 -48.256 -5.557 62.758 A 603 HIS A 44 HIS^? A 646 ASP A 106 ASP^? A 741 SER A 114 SER^? ULMNm 3 1qrz_c14 PLASMINOGEN user 2 3 RMSD = 1.36 A TRANSFORM 0.8478 0.4328 0.3065 -0.0751 0.6699 -0.7386 -0.5250 0.6032 0.6004 -34.257 -1.728 25.922 C 603 HIS A 44 HIS^? C 646 ASP A 106 ASP^? C 741 SER A 114 SER^? ULMNm 3 1vom_c00 MYOSIN user 3 3 RMSD = 1.38 A TRANSFORM -0.0297 -0.2810 0.9593 -0.7561 -0.6213 -0.2054 0.6537 -0.7314 -0.1940 59.981 65.499 -39.926 233 ASN A 33 ASN~? 457 GLY A 12 GLY.? 459 GLU A 11 GLU.? ULMNm 3 1qrz_c13 PLASMINOGEN user 2 3 RMSD = 1.38 A TRANSFORM 0.7745 -0.4223 -0.4710 0.1073 -0.6462 0.7556 -0.6235 -0.6357 -0.4551 -76.508 -5.946 23.667 B 603 HIS A 44 HIS^? B 646 ASP A 106 ASP^? B 741 SER A 114 SER^? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 2 3 RMSD = 1.38 A TRANSFORM 0.5174 0.6352 0.5734 -0.3025 -0.4910 0.8169 0.8005 -0.5961 -0.0619 -10.813 70.467 95.569 B 109 ASP A 48 ASP.? B 182 GLU A 88 GLU.? B 286 ASN A 84 ASN^? ULMNm 3 2dbt_c00 CHITINASE C user 9 3 RMSD = 1.42 A TRANSFORM 0.2181 0.9343 -0.2820 -0.9367 0.2815 0.2082 0.2739 0.2188 0.9366 70.660 59.259 -4.272 A 147 GLU A 88 GLU.? A 156 GLU A 64 GLU^? A 194 ASN A 84 ASN^? ULMNm 3 2dbt_c01 CHITINASE C user 9 3 RMSD = 1.43 A TRANSFORM -0.3182 -0.9440 -0.0867 -0.9474 0.3201 -0.0084 0.0357 0.0795 -0.9962 54.394 107.740 17.871 B 147 GLU A 88 GLU.? B 156 GLU A 64 GLU^? B 194 ASN A 84 ASN^? ULMNm 3 1qrz_c14 PLASMINOGEN user 4 3 RMSD = 1.47 A TRANSFORM 0.6443 0.5561 0.5250 0.4148 -0.8308 0.3710 0.6425 -0.0213 -0.7660 -27.960 -29.600 -20.262 C 603 HIS A 45 HIS.? C 646 ASP A 112 ASP~? C 741 SER A 46 SER.? ULMNm 3 1qrz_c13 PLASMINOGEN user 4 3 RMSD = 1.48 A TRANSFORM -0.3934 0.2003 0.8973 -0.3813 0.8525 -0.3575 -0.8366 -0.4827 -0.2590 -30.933 21.796 34.113 B 603 HIS A 45 HIS.? B 646 ASP A 112 ASP~? B 741 SER A 46 SER.? ULMNm 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 1.48 A TRANSFORM 0.6582 0.5478 -0.5165 0.0245 0.6700 0.7419 0.7525 -0.5010 0.4275 5.976 21.947 49.797 D 107 ASP A 115 ASP^? D 246 ASP A 48 ASP.? D 275 HIS A 45 HIS.? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 2 3 RMSD = 1.49 A TRANSFORM -0.5744 0.3160 -0.7551 0.7872 0.4662 -0.4037 0.2245 -0.8263 -0.5166 57.106 -32.993 -7.882 B 46 HIS A 45 HIS.? B 163 ALA A 87 ALA.? B 182 SER A 46 SER.? ULMNm 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.49 A TRANSFORM 0.7290 -0.4158 0.5438 0.1706 -0.6590 -0.7326 0.6629 0.6268 -0.4095 4.544 45.983 50.288 B 107 ASP A 115 ASP^? B 246 ASP A 48 ASP.? B 275 HIS A 45 HIS.? ULMNm 3 1ez2_c01 PHOSPHOTRIESTERASE user 1 3 RMSD = 1.50 A TRANSFORM -0.3236 0.5715 0.7541 0.8616 0.5075 -0.0148 -0.3911 0.6449 -0.6566 63.129 -62.268 8.446 B 233 ASP A 32 ASP~? B 254 HIS A 40 HIS^? B 301 ASP A 118 ASP^?