*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 1 3 RMSD = 0.88 A TRANSFORM -0.7582 -0.5816 -0.2948 0.4524 -0.7947 0.4046 -0.4696 0.1734 0.8657 71.305 49.670 16.029 10 ASN A 31 ASN~? 20 HIS A 28 HIS~? 93 ASP A 25 ASP~? ULMNm 3 1sca_c01 SUBTILISIN CARLSBERG (E.C.3.4.21.62)user 3 3 RMSD = 1.08 A TRANSFORM -0.6905 0.5660 -0.4504 0.3990 -0.2213 -0.8899 -0.6034 -0.7941 -0.0730 77.570 95.662 85.926 32 ASP B 25 ASP~? 64 HIS B 28 HIS~? 155 ASN A 21 ASN~? ULMNm 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.14 A TRANSFORM 0.5977 -0.2513 -0.7613 0.7868 0.3662 0.4968 0.1540 -0.8960 0.4166 91.870 62.873 33.427 D 98 SER B 32 SER~? D 123 HIS B 28 HIS~? D 172 ASP B 25 ASP~? ULMNm 3 1gns_c00 SUBTILISIN BPN' user 3 3 RMSD = 1.14 A TRANSFORM 0.2064 0.9316 -0.2992 -0.9657 0.1446 -0.2158 -0.1578 0.3334 0.9295 -14.765 42.755 -2.652 A 32 ASP B 25 ASP~? A 64 HIS B 28 HIS~? A 155 ASN A 21 ASN~? ULMNm 3 1t0u_c01 URIDINE PHOSPHORYLASE user 1 3 RMSD = 1.15 A TRANSFORM 0.0703 -0.9554 -0.2868 -0.8032 0.1163 -0.5842 0.5915 0.2714 -0.7592 10.366 43.929 -17.950 B 8 HIS A 58 HIS~? B 80 GLU A 61 GLU~? B 223 ARG B 68 ARG~? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 2 3 RMSD = 1.16 A TRANSFORM 0.4868 -0.3842 0.7845 -0.1821 -0.9230 -0.3391 0.8543 0.0222 -0.5192 17.278 38.960 60.790 B 325 ASP B 25 ASP~? B 354 GLU B 24 GLU.? B 421 ASP A 25 ASP~? ULMNm 3 1qaz_c00 ALGINATE LYASE A1-III user 4 3 RMSD = 1.17 A TRANSFORM 0.0388 -0.9953 0.0888 0.4062 -0.0655 -0.9114 0.9130 0.0715 0.4017 18.296 29.512 -12.572 A 191 ASN B 64 ASN~? A 239 ARG A 35 ARG~? A 246 TYR B 63 TYR~? ULMNm 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.17 A TRANSFORM -0.8668 -0.0130 0.4985 -0.2851 -0.8072 -0.5169 0.4091 -0.5901 0.6960 8.994 75.929 28.887 G 98 SER B 32 SER~? G 123 HIS B 28 HIS~? G 172 ASP B 25 ASP~? ULMNm 3 3qwd_o05 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.17 A TRANSFORM -0.8398 -0.4938 -0.2257 0.5040 -0.5546 -0.6621 0.2017 -0.6698 0.7146 36.610 100.260 23.413 F 98 SER B 32 SER~? F 123 HIS B 28 HIS~? F 172 ASP B 25 ASP~? ULMNm 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.18 A TRANSFORM 0.9362 0.3512 0.0146 -0.1247 0.2932 0.9479 0.3286 -0.8892 0.3183 157.344 -2.529 92.233 N 98 SER B 32 SER~? N 123 HIS B 28 HIS~? N 172 ASP B 25 ASP~? ULMNm 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.18 A TRANSFORM 0.5639 0.6219 0.5434 -0.6562 -0.0621 0.7521 0.5015 -0.7806 0.3731 41.448 19.089 43.807 B 98 SER B 32 SER~? B 123 HIS B 28 HIS~? B 172 ASP B 25 ASP~? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.18 A TRANSFORM -0.2095 0.4859 0.8485 -0.8365 -0.5384 0.1017 0.5063 -0.6885 0.5193 10.702 39.502 39.566 A 98 SER B 32 SER~? A 123 HIS B 28 HIS~? A 172 ASP B 25 ASP~? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.18 A TRANSFORM -0.2095 0.4859 0.8485 -0.8365 -0.5384 0.1017 0.5063 -0.6885 0.5193 10.702 39.502 39.566 A 98 SER B 32 SER~? A 123 HIS B 28 HIS~? A 172 ASP B 25 ASP~? ULMNm 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 6 3 RMSD = 1.18 A TRANSFORM 0.5425 0.8186 -0.1885 0.3871 -0.0445 0.9210 0.7456 -0.5726 -0.3410 29.141 15.486 66.516 10 ASN B 31 ASN~? 20 HIS B 28 HIS~? 93 ASP B 25 ASP~? ULMNm 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.18 A TRANSFORM 0.7298 -0.1668 -0.6629 0.6646 0.4002 0.6310 0.1601 -0.9011 0.4030 177.957 27.725 84.240 H 98 SER B 32 SER~? H 123 HIS B 28 HIS~? H 172 ASP B 25 ASP~? ULMNm 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.19 A TRANSFORM 0.9429 0.2922 -0.1601 0.0533 0.3418 0.9382 0.3289 -0.8932 0.3067 77.051 29.257 42.268 C 98 SER B 32 SER~? C 123 HIS B 28 HIS~? C 172 ASP B 25 ASP~? ULMNm 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.19 A TRANSFORM -0.1636 -0.5834 -0.7955 0.9837 -0.0354 -0.1764 0.0748 -0.8114 0.5797 73.577 93.229 25.858 E 98 SER B 32 SER~? E 123 HIS B 28 HIS~? E 172 ASP B 25 ASP~? ULMNm 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.19 A TRANSFORM -0.0139 -0.5828 -0.8125 0.9974 0.0492 -0.0524 0.0705 -0.8111 0.5806 165.762 61.696 75.749 I 98 SER B 32 SER~? I 123 HIS B 28 HIS~? I 172 ASP B 25 ASP~? ULMNm 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.19 A TRANSFORM -0.7399 -0.5640 -0.3666 0.6483 -0.4525 -0.6123 0.1795 -0.6907 0.7005 131.088 74.049 73.824 J 98 SER B 32 SER~? J 123 HIS B 28 HIS~? J 172 ASP B 25 ASP~? ULMNm 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.20 A TRANSFORM 0.4416 0.5969 0.6698 -0.7436 -0.1743 0.6455 0.5020 -0.7832 0.3669 120.653 -6.281 94.477 M 98 SER B 32 SER~? M 123 HIS B 28 HIS~? M 172 ASP B 25 ASP~? ULMNm 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.20 A TRANSFORM -0.3835 0.3897 0.8373 -0.7683 -0.6378 -0.0551 0.5126 -0.6644 0.5439 94.289 19.609 88.409 L 98 SER B 32 SER~? L 123 HIS B 28 HIS~? L 172 ASP B 25 ASP~? ULMNm 3 1qaz_c00 ALGINATE LYASE A1-III user 2 3 RMSD = 1.20 A TRANSFORM 0.2777 0.6966 0.6615 -0.9278 0.3729 -0.0032 -0.2489 -0.6129 0.7499 -41.457 -3.245 -2.741 A 191 ASN A 64 ASN~? A 239 ARG B 35 ARG~? A 246 TYR A 63 TYR~? ULMNm 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 RMSD = 1.20 A TRANSFORM -0.9080 -0.1557 0.3889 -0.1258 -0.7842 -0.6076 0.3996 -0.6007 0.6925 98.920 55.369 78.791 K 98 SER B 32 SER~? K 123 HIS B 28 HIS~? K 172 ASP B 25 ASP~? ULMNm 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 2 3 RMSD = 1.22 A TRANSFORM 0.1132 -0.9411 -0.3187 -0.0447 0.3156 -0.9478 0.9926 0.1215 -0.0064 43.038 52.094 10.039 B 40 HIS B 28 HIS~? B 58 GLU A 24 GLU.? B 92 HIS A 17 HIS~? ULMNm 3 1req_c10 METHYLMALONYL-COA MUTASE user 1 3 RMSD = 1.31 A TRANSFORM -0.0283 0.9388 -0.3432 -0.6787 0.2340 0.6962 0.7339 0.2526 0.6305 55.746 52.616 -22.072 A 608 ASP A 25 ASP~? A 610 HIS A 28 HIS~? A 661 HIS A 17 HIS~? ULMNm 3 1req_c11 METHYLMALONYL-COA MUTASE user 1 3 RMSD = 1.32 A TRANSFORM 0.6646 -0.2131 0.7162 0.6801 -0.2246 -0.6979 0.3096 0.9509 -0.0043 -29.349 109.244 28.711 C 608 ASP A 25 ASP~? C 610 HIS A 28 HIS~? C 661 HIS A 17 HIS~? ULMNm 3 1bwp_c01 PLATELET-ACTIVATING FACTOR ACETYLHYDuser 2 3 RMSD = 1.33 A TRANSFORM 0.2501 -0.9591 0.1327 -0.8063 -0.2822 -0.5199 0.5361 0.0231 -0.8438 77.251 20.489 47.794 104 ASN A 21 ASN~? 192 ASP B 25 ASP~? 195 HIS B 28 HIS~? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 1 3 RMSD = 1.34 A TRANSFORM -0.1510 0.9812 -0.1205 -0.0024 0.1216 0.9926 0.9885 0.1502 -0.0161 -40.627 -12.202 12.362 A1132 ASP A 60 ASP~? A1134 ALA A 62 ALA~? A1137 ASN A 64 ASN~? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 2 3 RMSD = 1.35 A TRANSFORM -0.4018 -0.4985 -0.7682 0.6573 -0.7411 0.1371 -0.6376 -0.4498 0.6254 16.578 32.451 13.193 A1132 ASP B 60 ASP~? A1134 ALA B 62 ALA~? A1137 ASN B 64 ASN~? ULMNm 3 1b2m_c00 5'-R(*GP*(CH2)U)-3' user 1 3 RMSD = 1.36 A TRANSFORM 0.0813 -0.0343 -0.9961 -0.5062 -0.8623 -0.0116 -0.8586 0.5052 -0.0875 38.536 52.356 -6.621 A 40 HIS B 28 HIS~? A 58 GLU A 24 GLU.? A 92 HIS A 17 HIS~? ULMNm 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 1 3 RMSD = 1.38 A TRANSFORM 0.4979 0.1251 0.8582 -0.5953 0.7688 0.2333 -0.6306 -0.6271 0.4573 20.164 6.986 51.092 16 ALA A 29 ALA~? 19 HIS A 28 HIS~? 22 HIS B 28 HIS~? ULMNm 3 2cpu_c01 ALPHA-AMYLASE user 1 3 RMSD = 1.39 A TRANSFORM -0.9572 -0.0488 0.2851 0.2764 0.1363 0.9513 -0.0853 0.9895 -0.1170 3.746 -13.502 20.968 A 197 ASP A 25 ASP~? A 233 GLU A 24 GLU.? A 300 ASN A 31 ASN~? ULMNm 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 1 3 RMSD = 1.40 A TRANSFORM -0.3052 0.7355 0.6049 -0.4254 0.4630 -0.7776 -0.8520 -0.4946 0.1715 -25.582 44.355 24.597 B 40 HIS A 28 HIS~? B 58 GLU B 24 GLU.? B 92 HIS B 17 HIS~? ULMNm 3 1pp4_c02 RHAMNOGALACTURONAN ACETYLESTERASE user 2 3 RMSD = 1.40 A TRANSFORM 0.7505 -0.6361 -0.1789 0.5687 0.7597 -0.3155 0.3366 0.1350 0.9319 19.857 31.823 -4.052 A 74 ASN A 21 ASN~? A 192 ASP B 25 ASP~? A 195 HIS B 28 HIS~? ULMNm 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 2 3 RMSD = 1.41 A TRANSFORM 0.0940 0.6821 0.7252 -0.0156 -0.7273 0.6862 0.9955 -0.0758 -0.0577 -47.591 -1.663 16.489 86 HIS A 58 HIS~? 89 GLU A 61 GLU~? 243 ASN A 49 ASN~? ULMNm 3 2p3i_p00 VP4 user 1 3 RMSD = 1.41 A TRANSFORM -0.7646 0.5476 0.3398 0.5341 0.2435 0.8096 0.3606 0.8005 -0.4787 23.156 -30.331 6.970 A 101 ARG A 35 ARG~? A 188 TYR A 33 TYR~? A 190 SER A 32 SER~? ULMNm 3 1pp4_c03 RHAMNOGALACTURONAN ACETYLESTERASE user 2 3 RMSD = 1.42 A TRANSFORM -0.4236 -0.5826 -0.6936 0.0160 -0.7704 0.6374 -0.9057 0.2589 0.3356 42.376 59.487 -4.981 B 74 ASN A 21 ASN~? B 192 ASP B 25 ASP~? B 195 HIS B 28 HIS~? ULMNm 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 4 3 RMSD = 1.43 A TRANSFORM 0.0509 -0.8856 0.4616 0.4200 -0.4003 -0.8145 0.9061 0.2353 0.3516 58.229 64.340 28.633 16 ALA B 29 ALA~? 19 HIS B 28 HIS~? 22 HIS A 28 HIS~? ULMNm 3 1t0u_c01 URIDINE PHOSPHORYLASE user 2 3 RMSD = 1.44 A TRANSFORM 0.1341 0.9008 0.4129 -0.1263 0.4288 -0.8945 -0.9829 0.0678 0.1713 -53.570 43.052 -36.414 B 8 HIS B 58 HIS~? B 80 GLU B 61 GLU~? B 223 ARG A 68 ARG~? ULMNm 3 2cpu_c01 ALPHA-AMYLASE user 3 3 RMSD = 1.45 A TRANSFORM 0.7844 0.3933 -0.4796 0.5310 -0.8255 0.1913 -0.3207 -0.4048 -0.8564 10.095 32.218 77.969 A 197 ASP B 25 ASP~? A 233 GLU B 24 GLU.? A 300 ASN B 31 ASN~? ULMNm 3 1cns_c00 CHITINASE user 1 3 RMSD = 1.46 A TRANSFORM -0.1016 0.8011 -0.5899 -0.9504 0.0971 0.2955 0.2940 0.5906 0.7515 -27.451 -3.979 10.808 A 67 GLU A 12 GLU~? A 89 GLU A 3 GLU.? A 120 SER A 6 SER~? ULMNm 3 1cns_c00 CHITINASE user 3 3 RMSD = 1.47 A TRANSFORM -0.4475 -0.3210 -0.8347 -0.8678 -0.0697 0.4920 -0.2161 0.9445 -0.2474 3.805 0.024 53.005 A 67 GLU B 24 GLU.? A 89 GLU A 24 GLU.? A 120 SER A 32 SER~? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 3 3 RMSD = 1.48 A TRANSFORM -0.7037 0.2962 -0.6459 0.1410 -0.8327 -0.5355 -0.6964 -0.4678 0.5442 13.461 38.047 4.924 A 50 HIS B 28 HIS~? A 96 GLU A 24 GLU.? A 137 HIS A 17 HIS~? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 1 3 RMSD = 1.50 A TRANSFORM -0.4079 0.5473 -0.7308 0.1169 -0.7626 -0.6363 -0.9055 -0.3449 0.2471 34.185 92.180 65.766 A 325 ASP A 25 ASP~? A 354 GLU A 24 GLU.? A 421 ASP B 25 ASP~? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 1 3 RMSD = 1.50 A TRANSFORM 0.3603 -0.5773 0.7328 0.3708 0.8094 0.4553 -0.8560 0.1077 0.5056 23.691 -29.528 33.511 B 325 ASP A 25 ASP~? B 354 GLU A 24 GLU.? B 421 ASP B 25 ASP~?