From mailer@bialko.llnl.gov Sat Jun 15 15:44:39 2002 Date: Sat, 15 Jun 2002 15:44:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Sat Jun 15 15:18:05 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_297683_10825 # (PIN number is not an ACCESSION CODE) # YOUR SUBMISSION CANNOT BE ACCEPTED THE FORMAT OF YOUR PREDICTION IS NOT CORRECT The following is an error report generated by the CASP prediction verifier for one of your server submissions. The attached file is the version of your prediction that was processed. This has been preprocessed by CAFASP, adding the required CASP records, and in some cases, co-ordinates generated from alignments, using the standard CAFASP procedure. Please address the errors, add the following record to your model REMARK Corrected submission: PIN_number and submit the corrected file to submit@predictioncenter.llnl.gov Please ONLY change the records indicated as an ERROR. The returned file will be checked for consistency with the original (current PIN_number). A gentle reminder is that your prediction is not considered accepted as part of CAFASP until it has passed this verification process and a CASP server prediction accession number is issued. Any queries should be sent to casp5@predictioncenter.llnl.gov Please check the format required for submissions of CASP5 predictions: http://PredictionCenter.llnl.gov/casp5/doc/casp5-format.html ################################################################# # # # Each submission may contain only one model, beginning with # # the MODEL record, ending with END, and no target residue # # repetitions. # # # # All submissions should contain the records described below: # # # # PFRMAT Format specification # TS , AL , SS , DR or RR # # TARGET Target identifier from the CASP5 target table # # AUTHOR XXXX-XXXX-XXXX The Group Leader registration code # # REMARK Comment record (may appear anywhere, optional) # # METHOD Records describing the methods used # # MODEL Beginning of the data section for the submitted model # # PARENT Structure template used to generate the TS/AL model # # ------ data submitted as a model ------ # # TER Terminates independent segments of the TS/AL model # # END End of the submitted model # # # # In all submissions the standard keywords # # must begin in the first column of a record. # # # # Sometimes an error may arise due to a # # TAB separator used instead of a SPACE! # # # ################################################################# PLEASE CHECK THE OUTPUT FROM THE VERIFICATION SERVER BELOW # Reading prediction format SS PFRMAT SS TARGET T0136 AUTHOR 2491-6940-1261 # Reading MODEL 1 G T 0.433 # ERROR! Check the line NB = 29 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0136 AUTHOR 2491-6940-1261 METHOD CAFASP METHOD samt02_dssp METHOD Using neural net t2k-5740-IDaaHr-5-15-7-15-9-15-13-ebghstl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 7 (1 EBGHSTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0136.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 176 METHOD MODEL 1 A C 0.999 E C 0.830 N C 0.291 N H 0.320 N H 0.457 L H 0.480 K H 0.573 L H 0.602 A H 0.797 S H 0.803 T H 0.806 M H 0.851 E H 0.882 G H 0.815 R H 0.773 V H 0.772 E H 0.881 Q H 0.898 L H 0.944 A H 0.940 E H 0.945 Q H 0.956 R H 0.953 Q H 0.947 V H 0.951 I H 0.929 E H 0.872 A H 0.650 G T 0.433 G T 0.402 G C 0.389 E H 0.331 R H 0.491 R H 0.483 V H 0.499 E H 0.744 K H 0.639 Q H 0.463 H H 0.288 S T 0.314 Q T 0.549 G C 0.428 K C 0.664 Q C 0.628 T C 0.893 A H 0.934 R H 0.963 E H 0.960 R H 0.975 L H 0.966 N H 0.943 N H 0.917 L H 0.770 L H 0.529 D C 0.755 P T 0.809 H T 0.869 S C 0.541 F E 0.421 D E 0.511 E C 0.418 V C 0.437 G C 0.388 A C 0.355 F C 0.422 R H 0.281 K H 0.383 H H 0.407 R H 0.678 T H 0.699 T H 0.734 L H 0.745 F H 0.668 G H 0.615 M H 0.466 D H 0.381 K T 0.282 A T 0.271 V C 0.428 V C 0.602 P C 0.485 A C 0.460 D S 0.433 G E 0.671 V E 0.921 V E 0.947 T E 0.861 G E 0.868 R E 0.795 G E 0.820 T E 0.811 I E 0.698 L T 0.900 G T 0.953 R E 0.511 P E 0.862 V E 0.990 H E 0.997 A E 1.000 A E 0.999 S E 0.985 Q E 0.873 D C 0.549 F C 0.374 T E 0.371 V E 0.604 M E 0.494 G C 0.262 G C 0.323 S T 0.363 A H 0.341 G H 0.613 E H 0.901 T H 0.959 Q H 0.975 S H 0.988 T H 0.991 K H 0.991 V H 0.995 V H 0.994 E H 0.994 T H 0.995 M H 0.996 E H 0.996 Q H 0.997 A H 0.997 L H 0.989 L H 0.933 T T 0.594 G T 0.804 T C 0.853 P C 0.765 F E 0.865 L E 0.985 F E 0.996 F E 0.990 Y E 0.936 D E 0.553 S S 0.442 G S 0.451 G S 0.380 A C 0.391 R C 0.294 I H 0.343 Q H 0.375 E H 0.427 G H 0.430 I H 0.579 D H 0.737 S H 0.799 L H 0.851 S H 0.874 G H 0.862 Y H 0.953 G H 0.976 K H 0.989 M H 0.995 F H 0.995 F H 0.994 A H 0.987 N H 0.978 V H 0.965 K H 0.912 L H 0.757 S T 0.425 G T 0.436 V T 0.410 V C 0.553 P C 0.715 Q E 0.898 I E 0.989 A E 0.996 I E 0.992 I E 0.943 A E 0.542 G S 0.464 P S 0.395 C T 0.354 A T 0.294 G T 0.327 G T 0.357 A E 0.438 S E 0.718 Y E 0.773 S E 0.697 P E 0.471 A E 0.293 L T 0.436 T S 0.295 D C 0.397 F E 0.871 I E 0.953 I E 0.967 M E 0.907 T E 0.514 K T 0.604 K T 0.711 A C 0.839 H E 0.425 M E 0.946 F E 0.981 I E 0.955 T E 0.682 G C 0.718 P H 0.718 Q H 0.865 V H 0.932 I H 0.957 K H 0.885 S H 0.838 V H 0.811 T H 0.514 G T 0.665 E C 0.515 D C 0.662 V C 0.529 T C 0.710 A G 0.577 D G 0.541 E G 0.638 L C 0.313 G C 0.428 G C 0.331 A E 0.419 E E 0.637 A E 0.803 H E 0.789 M E 0.718 A E 0.546 I E 0.344 S T 0.305 G E 0.318 N E 0.588 I E 0.847 H E 0.906 F E 0.940 V E 0.929 A E 0.719 E C 0.402 D S 0.620 D H 0.597 D H 0.972 A H 0.985 A H 0.995 E H 0.995 L H 0.994 I H 0.991 A H 0.993 K H 0.993 K H 0.989 L H 0.986 L H 0.966 S H 0.852 F H 0.776 L H 0.431 P C 0.406 Q T 0.331 N T 0.330 N C 0.351 T C 0.360 E C 0.476 E C 0.661 A C 0.750 S C 0.747 F C 0.569 V C 0.578 N C 0.707 P C 0.542 N C 0.420 N C 0.517 D C 0.618 V C 0.475 S C 0.390 P C 0.577 N C 0.336 T G 0.243 E G 0.258 L C 0.268 R C 0.275 D C 0.350 I C 0.487 V C 0.672 P C 0.608 I C 0.451 D C 0.576 G T 0.549 K T 0.594 K C 0.463 G C 0.663 Y C 0.496 D C 0.505 V H 0.891 R H 0.936 D H 0.947 V H 0.961 I H 0.956 A H 0.919 K H 0.856 I H 0.787 V H 0.592 D C 0.410 W T 0.377 G H 0.366 D H 0.456 Y H 0.650 L H 0.649 E H 0.580 V H 0.490 K H 0.322 A T 0.314 G T 0.426 Y H 0.243 A C 0.410 T T 0.491 N T 0.460 L E 0.482 V E 0.799 T E 0.810 A E 0.875 F E 0.851 A E 0.877 R E 0.845 V E 0.751 N T 0.841 G T 0.912 R E 0.583 S E 0.762 V E 0.963 G E 0.990 I E 0.996 V E 0.994 A E 0.942 N E 0.614 Q C 0.493 P C 0.296 S T 0.287 V C 0.324 M C 0.353 S C 0.324 G T 0.271 C C 0.391 L C 0.472 D C 0.725 I H 0.635 N H 0.781 A H 0.924 S H 0.983 D H 0.989 K H 0.992 A H 0.995 A H 0.996 E H 0.994 F H 0.993 V H 0.989 N H 0.968 F H 0.944 C H 0.899 D H 0.751 S H 0.659 F T 0.376 N T 0.516 I C 0.550 P C 0.753 L E 0.760 V E 0.964 Q E 0.993 L E 0.987 V E 0.938 D E 0.529 V C 0.502 P S 0.338 G T 0.384 F C 0.403 L C 0.344 P C 0.329 G C 0.465 V H 0.846 Q H 0.910 Q H 0.929 E H 0.927 Y H 0.938 G H 0.869 G H 0.868 I H 0.925 I H 0.984 R H 0.992 H H 0.990 G H 0.994 A H 0.995 K H 0.996 M H 0.994 L H 0.996 Y H 0.995 A H 0.993 Y H 0.980 S H 0.911 E H 0.584 A T 0.311 T S 0.356 V S 0.613 P C 0.712 K E 0.697 I E 0.976 T E 0.992 V E 0.991 V E 0.958 L E 0.807 R E 0.412 K S 0.425 A C 0.374 Y S 0.358 G S 0.401 G C 0.334 S C 0.275 Y H 0.259 L E 0.326 A E 0.431 M E 0.453 C C 0.403 N C 0.350 R G 0.425 D G 0.476 L S 0.266 G C 0.365 A T 0.376 D T 0.282 A E 0.600 V E 0.797 Y E 0.851 A E 0.771 W C 0.459 P T 0.711 S T 0.732 A C 0.447 E E 0.721 I E 0.897 A E 0.930 V E 0.835 M E 0.429 G C 0.550 A H 0.696 E H 0.815 G H 0.871 A H 0.901 A H 0.853 N H 0.774 V H 0.677 I H 0.573 F H 0.389 R C 0.283 K C 0.532 E H 0.605 I H 0.622 K H 0.625 A H 0.623 A H 0.661 D H 0.665 D H 0.662 P H 0.647 D H 0.743 A H 0.802 M H 0.844 R H 0.857 A H 0.860 E H 0.894 K H 0.926 I H 0.965 E H 0.969 E H 0.971 Y H 0.969 Q H 0.949 N H 0.821 A H 0.578 F T 0.508 N C 0.368 T C 0.618 P H 0.967 Y H 0.985 V H 0.988 A H 0.988 A H 0.961 A H 0.786 R T 0.828 G T 0.858 Q C 0.820 V C 0.676 D E 0.313 D E 0.400 V E 0.511 I E 0.474 D C 0.790 P H 0.336 A H 0.711 D H 0.758 T H 0.931 R H 0.974 R H 0.986 K H 0.993 I H 0.993 A H 0.993 S H 0.993 A H 0.992 L H 0.988 E H 0.976 M H 0.943 Y H 0.887 A H 0.753 T H 0.428 K H 0.314 R T 0.256 Q C 0.288 T C 0.362 R C 0.522 P C 0.649 A C 0.331 K C 0.237 K C 0.295 H C 0.521 G C 0.503 N C 0.554 F C 0.619 P C 0.939 C C 0.999 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sat Jun 15 15:44:49 2002 Date: Sat, 15 Jun 2002 15:44:44 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Sat Jun 15 15:18:18 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_298984_10826 # (PIN number is not an ACCESSION CODE) # YOUR SUBMISSION CANNOT BE ACCEPTED THE FORMAT OF YOUR PREDICTION IS NOT CORRECT The following is an error report generated by the CASP prediction verifier for one of your server submissions. The attached file is the version of your prediction that was processed. This has been preprocessed by CAFASP, adding the required CASP records, and in some cases, co-ordinates generated from alignments, using the standard CAFASP procedure. Please address the errors, add the following record to your model REMARK Corrected submission: PIN_number and submit the corrected file to submit@predictioncenter.llnl.gov Please ONLY change the records indicated as an ERROR. The returned file will be checked for consistency with the original (current PIN_number). A gentle reminder is that your prediction is not considered accepted as part of CAFASP until it has passed this verification process and a CASP server prediction accession number is issued. Any queries should be sent to casp5@predictioncenter.llnl.gov Please check the format required for submissions of CASP5 predictions: http://PredictionCenter.llnl.gov/casp5/doc/casp5-format.html ################################################################# # # # Each submission may contain only one model, beginning with # # the MODEL record, ending with END, and no target residue # # repetitions. # # # # All submissions should contain the records described below: # # # # PFRMAT Format specification # TS , AL , SS , DR or RR # # TARGET Target identifier from the CASP5 target table # # AUTHOR XXXX-XXXX-XXXX The Group Leader registration code # # REMARK Comment record (may appear anywhere, optional) # # METHOD Records describing the methods used # # MODEL Beginning of the data section for the submitted model # # PARENT Structure template used to generate the TS/AL model # # ------ data submitted as a model ------ # # TER Terminates independent segments of the TS/AL model # # END End of the submitted model # # # # In all submissions the standard keywords # # must begin in the first column of a record. # # # # Sometimes an error may arise due to a # # TAB separator used instead of a SPACE! # # # ################################################################# PLEASE CHECK THE OUTPUT FROM THE VERIFICATION SERVER BELOW # Reading prediction format SS PFRMAT SS TARGET T0136 AUTHOR 5144-8387-2760 # Reading MODEL 1 G T 0.387 # ERROR! Check the line NB = 31 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0136 AUTHOR 5144-8387-2760 METHOD CAFASP METHOD samt02_stride METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-ebghtl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 6 (1 EBGHTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0136.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 176 METHOD MODEL 1 A C 0.765 E C 0.431 N H 0.526 N H 0.655 N H 0.628 L H 0.678 K H 0.673 L H 0.493 A H 0.714 S H 0.819 T H 0.882 M H 0.930 E H 0.934 G H 0.941 R H 0.920 V H 0.891 E H 0.903 Q H 0.930 L H 0.959 A H 0.958 E H 0.968 Q H 0.964 R H 0.962 Q H 0.965 V H 0.968 I H 0.958 E H 0.919 A H 0.837 G H 0.469 G C 0.402 G T 0.387 E H 0.509 R H 0.564 R H 0.558 V H 0.521 E H 0.601 K H 0.564 Q H 0.389 H T 0.346 S T 0.378 Q C 0.380 G C 0.557 K C 0.620 Q C 0.625 T C 0.741 A H 0.955 R H 0.955 E H 0.943 R H 0.953 L H 0.967 N H 0.922 N H 0.909 L H 0.885 L H 0.596 D T 0.691 P T 0.826 H T 0.818 S T 0.571 F E 0.484 D E 0.534 E E 0.569 V C 0.474 G C 0.396 A T 0.415 F T 0.431 R T 0.380 K T 0.330 H H 0.444 R H 0.491 T H 0.566 T H 0.716 L H 0.735 F H 0.756 G H 0.682 M H 0.659 D H 0.507 K H 0.463 A T 0.337 V C 0.398 V C 0.485 P T 0.511 A T 0.597 D T 0.515 G E 0.614 V E 0.842 V E 0.925 T E 0.854 G E 0.770 R E 0.774 G E 0.782 T E 0.821 I E 0.765 L T 0.816 G T 0.837 R E 0.691 P E 0.928 V E 0.982 H E 0.997 A E 0.996 A E 0.988 S E 0.933 Q E 0.536 D T 0.445 F T 0.425 T E 0.660 V E 0.795 M E 0.658 G E 0.470 G C 0.399 S C 0.373 A C 0.418 G C 0.505 E H 0.769 T H 0.829 Q H 0.962 S H 0.982 T H 0.988 K H 0.989 V H 0.994 V H 0.996 E H 0.996 T H 0.997 M H 0.993 E H 0.992 Q H 0.991 A H 0.980 L H 0.961 L H 0.908 T H 0.706 G C 0.905 T C 0.851 P C 0.778 F E 0.967 L E 0.994 F E 0.994 F E 0.976 Y E 0.800 D C 0.502 S C 0.561 G C 0.619 G C 0.418 A H 0.339 R H 0.442 I H 0.565 Q H 0.556 E H 0.651 G H 0.580 I H 0.792 D H 0.817 S H 0.642 L H 0.806 S H 0.783 G H 0.870 Y H 0.947 G H 0.961 K H 0.975 M H 0.980 F H 0.980 F H 0.984 A H 0.984 N H 0.975 V H 0.934 K H 0.902 L H 0.847 S H 0.482 G T 0.488 V C 0.466 V C 0.453 P C 0.565 Q E 0.924 I E 0.975 A E 0.977 I E 0.962 I E 0.894 A E 0.566 G T 0.670 P T 0.731 C T 0.715 A T 0.599 G T 0.360 G H 0.403 A H 0.309 S H 0.295 Y T 0.246 S T 0.269 P T 0.303 A T 0.388 L T 0.378 T T 0.441 D E 0.511 F E 0.928 I E 0.976 I E 0.973 M E 0.938 T E 0.725 K T 0.750 K T 0.892 A T 0.797 H E 0.349 M E 0.808 F E 0.878 I E 0.863 T E 0.638 G C 0.391 P H 0.861 Q H 0.872 V H 0.968 I H 0.985 K H 0.981 S H 0.942 V H 0.905 T H 0.879 G C 0.758 E C 0.719 D C 0.458 V C 0.424 T C 0.522 A G 0.564 D G 0.758 E G 0.620 L T 0.455 G T 0.401 G C 0.394 A H 0.733 E H 0.834 A H 0.870 H H 0.865 M H 0.824 A H 0.780 I H 0.737 S H 0.452 G C 0.430 N E 0.443 I E 0.590 H E 0.590 F E 0.628 V E 0.685 A E 0.456 E T 0.442 D C 0.527 D H 0.732 D H 0.924 A H 0.949 A H 0.978 E H 0.994 L H 0.994 I H 0.995 A H 0.996 K H 0.995 K H 0.990 L H 0.988 L H 0.964 S H 0.906 F H 0.773 L C 0.438 P T 0.527 Q T 0.608 N T 0.597 N T 0.619 T T 0.527 E C 0.456 E C 0.579 A C 0.698 S C 0.715 F C 0.566 V C 0.581 N C 0.579 P C 0.551 N C 0.573 N C 0.541 D C 0.499 V C 0.388 S C 0.339 P C 0.350 N H 0.424 T H 0.468 E H 0.439 L H 0.394 R T 0.310 D T 0.327 I C 0.321 V C 0.457 P C 0.503 I C 0.576 D T 0.724 G T 0.771 K T 0.785 K T 0.689 G C 0.431 Y C 0.391 D C 0.545 V H 0.822 R H 0.868 D H 0.911 V H 0.914 I H 0.888 A H 0.828 K H 0.731 I H 0.499 V E 0.421 D T 0.309 W T 0.442 G T 0.400 D T 0.365 Y H 0.335 L H 0.280 E E 0.329 V E 0.271 K T 0.406 A T 0.516 G T 0.588 Y T 0.486 A T 0.356 T T 0.380 N H 0.281 L E 0.601 V E 0.803 T E 0.867 A E 0.895 F E 0.907 A E 0.910 R E 0.915 V E 0.846 N T 0.735 G T 0.813 R E 0.587 S E 0.847 V E 0.910 G E 0.979 I E 0.984 V E 0.968 A E 0.934 N E 0.645 Q T 0.387 P T 0.486 S T 0.578 V T 0.547 M T 0.432 S T 0.403 G C 0.531 C C 0.593 L C 0.524 D C 0.675 I H 0.625 N H 0.857 A H 0.986 S H 0.996 D H 0.999 K H 0.998 A H 0.999 A H 0.999 E H 0.999 F H 0.999 V H 0.995 N H 0.992 F H 0.983 C H 0.974 D H 0.911 S H 0.768 F H 0.570 N C 0.807 I C 0.819 P C 0.747 L E 0.900 V E 0.987 Q E 0.991 L E 0.974 V E 0.901 D E 0.490 V T 0.622 P T 0.720 G T 0.755 F T 0.598 L T 0.438 P C 0.448 G C 0.570 V H 0.728 Q H 0.841 Q H 0.844 E H 0.860 Y H 0.900 G H 0.901 G H 0.800 I H 0.978 I H 0.993 R H 0.997 H H 0.997 G H 0.998 A H 0.999 K H 0.996 M H 0.997 L H 0.995 Y H 0.989 A H 0.989 Y H 0.984 S H 0.947 E H 0.687 A C 0.442 T C 0.793 V C 0.687 P C 0.731 K E 0.840 I E 0.979 T E 0.989 V E 0.991 V E 0.970 L E 0.894 R E 0.623 K E 0.443 A T 0.528 Y T 0.576 G T 0.448 G T 0.377 S E 0.357 Y E 0.532 L E 0.474 A E 0.435 M H 0.400 C C 0.404 N T 0.356 R T 0.471 D T 0.493 L T 0.507 G T 0.652 A T 0.695 D T 0.628 A E 0.592 V E 0.807 Y E 0.907 A E 0.836 W T 0.528 P T 0.872 S T 0.890 A T 0.693 E E 0.658 I E 0.939 A E 0.933 V E 0.881 M E 0.500 G C 0.669 A H 0.689 E H 0.786 G H 0.872 A H 0.905 A H 0.919 N H 0.923 V H 0.900 I H 0.855 F H 0.774 R H 0.605 K C 0.447 E H 0.587 I H 0.660 K H 0.735 A H 0.731 A H 0.716 D H 0.763 D H 0.753 P H 0.789 D H 0.778 A H 0.782 M H 0.738 R H 0.743 A H 0.848 E H 0.850 K H 0.835 I H 0.930 E H 0.949 E H 0.958 Y H 0.953 Q H 0.909 N H 0.851 A H 0.742 F H 0.382 N C 0.674 T C 0.800 P H 0.879 Y H 0.927 V H 0.949 A H 0.954 A H 0.962 A H 0.965 R H 0.906 G C 0.770 Q C 0.688 V C 0.387 D T 0.407 D T 0.338 V T 0.345 I C 0.310 D C 0.662 P H 0.636 A H 0.756 D H 0.834 T H 0.941 R H 0.995 R H 0.996 K H 0.997 I H 0.998 A H 0.997 S H 0.993 A H 0.987 L H 0.986 E H 0.954 M H 0.922 Y H 0.875 A H 0.875 T H 0.493 K H 0.534 R H 0.551 Q H 0.541 T H 0.398 R C 0.483 P C 0.503 A C 0.310 K T 0.319 K C 0.309 H T 0.431 G C 0.469 N T 0.481 F C 0.411 P C 0.716 C C 0.888 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 16 19:02:18 2002 Date: Tue, 16 Jul 2002 19:02:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Jul 16 18:35:01 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_469551_12192 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0136SS389_1 Current information on models submitted in prediction T0136SS389 MODEL_INDEX PIN CODE DATE E-mail T0136SS389_1 PIN_469551_12192 1549-8716-6404 07/16/02 18:35:01 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0136 MODEL_INDEX PIN CODE DATE E-mail T0136SS389_1 PIN_469551_12192 1549-8716-6404 07/16/02 18:35:01 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0136 AUTHOR 1549-8716-6404 # Reading MODEL 1 # Reading prediction format SS (DONE) # Checking the SS prediction MODEL 1 # Checking the SS prediction MODEL 1 (DONE) # MODEL index: 1 # Total number of residues in model: 523 # Number of residues with nonzero confidence: 523 # Number of METHOD records: 46 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0136 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD preds/T0136.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD preds/T0136.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD These files were combined by translating their predictions into EHL METHOD predictions with tables generated by compare-real, and then combining METHOD those predictions with weights proportional to their mutual information METHOD with the EHL alphabet. The comments from the individual files follow. METHOD METHOD Comments from preds/T0136.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0136 METHOD Using neural net t2k-5740-IDaaHr-5-15-7-15-9-15-13-ebghstl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 7 (1 EBGHSTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0136.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 176 METHOD METHOD ============================================ METHOD Comments from preds/T0136.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0136 METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-ebghtl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 6 (1 EBGHTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0136.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 176 METHOD METHOD ============================================ MODEL 1 A C 0.95 E C 0.79 N C 0.56 N H 0.56 N H 0.64 L H 0.65 K H 0.68 L H 0.58 A H 0.79 S H 0.83 T H 0.86 M H 0.89 E H 0.91 G H 0.89 R H 0.84 V H 0.82 E H 0.90 Q H 0.90 L H 0.93 A H 0.93 E H 0.93 Q H 0.94 R H 0.93 Q H 0.93 V H 0.94 I H 0.92 E H 0.88 A H 0.72 G C 0.58 G C 0.71 G C 0.77 E C 0.49 R H 0.60 R H 0.59 V H 0.56 E H 0.76 K H 0.68 Q H 0.50 H C 0.62 S C 0.65 Q C 0.76 G C 0.83 K C 0.79 Q C 0.73 T C 0.87 A H 0.93 R H 0.95 E H 0.95 R H 0.95 L H 0.95 N H 0.94 N H 0.93 L H 0.83 L H 0.56 D C 0.92 P C 0.90 H C 0.92 S C 0.76 F E 0.49 D E 0.57 E E 0.48 V C 0.68 G C 0.73 A C 0.70 F C 0.74 R C 0.60 K C 0.56 H C 0.50 R H 0.63 T H 0.68 T H 0.76 L H 0.76 F H 0.74 G H 0.68 M H 0.60 D H 0.51 K C 0.54 A C 0.64 V C 0.76 V C 0.87 P C 0.84 A C 0.83 D C 0.74 G E 0.65 V E 0.88 V E 0.92 T E 0.85 G E 0.81 R E 0.78 G E 0.80 T E 0.82 I E 0.74 L C 0.90 G C 0.93 R E 0.59 P E 0.88 V E 0.97 H E 0.98 A E 0.98 A E 0.97 S E 0.94 Q E 0.72 D C 0.74 F C 0.69 T E 0.53 V E 0.70 M E 0.57 G C 0.52 G C 0.74 S C 0.72 A C 0.66 G C 0.53 E H 0.85 T H 0.90 Q H 0.95 S H 0.96 T H 0.96 K H 0.96 V H 0.97 V H 0.97 E H 0.97 T H 0.97 M H 0.97 E H 0.97 Q H 0.97 A H 0.96 L H 0.96 L H 0.91 T H 0.52 G C 0.97 T C 0.97 P C 0.87 F E 0.90 L E 0.97 F E 0.97 F E 0.96 Y E 0.86 D C 0.55 S C 0.87 G C 0.90 G C 0.79 A C 0.59 R H 0.47 I H 0.57 Q H 0.56 E H 0.60 G H 0.54 I H 0.70 D H 0.83 S H 0.79 L H 0.86 S H 0.84 G H 0.86 Y H 0.93 G H 0.95 K H 0.96 M H 0.96 F H 0.96 F H 0.96 A H 0.96 N H 0.95 V H 0.93 K H 0.90 L H 0.80 S C 0.51 G C 0.77 V C 0.90 V C 0.85 P C 0.75 Q E 0.90 I E 0.96 A E 0.97 I E 0.96 I E 0.91 A E 0.56 G C 0.86 P C 0.85 C C 0.77 A C 0.72 G C 0.72 G C 0.51 A C 0.38 S E 0.46 Y E 0.52 S E 0.50 P C 0.43 A C 0.58 L C 0.62 T C 0.71 D C 0.56 F E 0.89 I E 0.95 I E 0.95 M E 0.91 T E 0.61 K C 0.87 K C 0.93 A C 0.88 H C 0.57 M E 0.89 F E 0.92 I E 0.90 T E 0.66 G C 0.76 P H 0.81 Q H 0.90 V H 0.95 I H 0.95 K H 0.91 S H 0.88 V H 0.85 T H 0.68 G C 0.88 E C 0.90 D C 0.70 V C 0.64 T C 0.77 A H 0.71 D H 0.74 E H 0.70 L C 0.67 G C 0.77 G C 0.65 A C 0.37 E H 0.42 A E 0.48 H E 0.48 M E 0.44 A H 0.40 I H 0.39 S C 0.62 G C 0.69 N E 0.54 I E 0.74 H E 0.76 F E 0.80 V E 0.82 A E 0.62 E C 0.83 D C 0.95 D H 0.68 D H 0.94 A H 0.96 A H 0.96 E H 0.97 L H 0.97 I H 0.97 A H 0.97 K H 0.97 K H 0.96 L H 0.96 L H 0.95 S H 0.89 F H 0.80 L C 0.61 P C 0.77 Q C 0.72 N C 0.72 N C 0.80 T C 0.85 E C 0.88 E C 0.88 A C 0.87 S C 0.85 F C 0.71 V C 0.74 N C 0.85 P C 0.88 N C 0.89 N C 0.90 D C 0.85 V C 0.77 S C 0.71 P C 0.71 N C 0.53 T H 0.54 E H 0.54 L H 0.49 R C 0.52 D C 0.62 I C 0.65 V C 0.79 P C 0.84 I C 0.87 D C 0.90 G C 0.88 K C 0.90 K C 0.89 G C 0.81 Y C 0.72 D C 0.69 V H 0.86 R H 0.90 D H 0.92 V H 0.93 I H 0.91 A H 0.88 K H 0.80 I H 0.67 V H 0.45 D C 0.69 W C 0.60 G C 0.51 D H 0.52 Y H 0.66 L H 0.61 E H 0.55 V H 0.43 K C 0.60 A C 0.58 G C 0.69 Y C 0.70 A C 0.65 T C 0.62 N C 0.55 L E 0.54 V E 0.80 T E 0.82 A E 0.87 F E 0.86 A E 0.88 R E 0.87 V E 0.79 N C 0.87 G C 0.93 R E 0.58 S E 0.79 V E 0.92 G E 0.96 I E 0.97 V E 0.96 A E 0.92 N E 0.63 Q C 0.74 P C 0.79 S C 0.74 V C 0.67 M C 0.69 S C 0.72 G C 0.80 C C 0.75 L C 0.74 D C 0.88 I H 0.64 N H 0.81 A H 0.93 S H 0.96 D H 0.97 K H 0.97 A H 0.97 A H 0.97 E H 0.97 F H 0.97 V H 0.96 N H 0.95 F H 0.94 C H 0.91 D H 0.83 S H 0.75 F C 0.51 N C 0.94 I C 0.94 P C 0.82 L E 0.81 V E 0.95 Q E 0.97 L E 0.96 V E 0.91 D E 0.51 V C 0.81 P C 0.88 G C 0.86 F C 0.83 L C 0.80 P C 0.83 G C 0.82 V H 0.81 Q H 0.89 Q H 0.91 E H 0.90 Y H 0.91 G H 0.86 G H 0.82 I H 0.93 I H 0.96 R H 0.97 H H 0.97 G H 0.97 A H 0.97 K H 0.97 M H 0.97 L H 0.97 Y H 0.97 A H 0.97 Y H 0.96 S H 0.91 E H 0.63 A C 0.69 T C 0.91 V C 0.93 P C 0.90 K E 0.75 I E 0.96 T E 0.97 V E 0.97 V E 0.94 L E 0.83 R E 0.50 K C 0.68 A C 0.80 Y C 0.82 G C 0.84 G C 0.75 S C 0.54 Y E 0.36 L E 0.40 A E 0.45 M E 0.39 C C 0.70 N C 0.70 R C 0.55 D C 0.51 L C 0.67 G C 0.79 A C 0.83 D C 0.75 A E 0.62 V E 0.80 Y E 0.87 A E 0.81 W C 0.57 P C 0.88 S C 0.91 A C 0.66 E E 0.69 I E 0.92 A E 0.92 V E 0.84 M C 0.51 G C 0.84 A H 0.73 E H 0.84 G H 0.89 A H 0.90 A H 0.88 N H 0.85 V H 0.81 I H 0.73 F H 0.58 R C 0.56 K C 0.73 E H 0.66 I H 0.71 K H 0.74 A H 0.71 A H 0.71 D H 0.72 D H 0.71 P H 0.71 D H 0.75 A H 0.79 M H 0.79 R H 0.80 A H 0.84 E H 0.86 K H 0.87 I H 0.93 E H 0.94 E H 0.94 Y H 0.94 Q H 0.92 N H 0.84 A H 0.66 F C 0.66 N C 0.83 T C 0.90 P H 0.91 Y H 0.94 V H 0.95 A H 0.95 A H 0.95 A H 0.86 R C 0.53 G C 0.92 Q C 0.90 V C 0.74 D C 0.56 D C 0.49 V C 0.50 I C 0.49 D C 0.85 P H 0.58 A H 0.85 D H 0.88 T H 0.93 R H 0.96 R H 0.96 K H 0.97 I H 0.97 A H 0.97 S H 0.97 A H 0.96 L H 0.96 E H 0.94 M H 0.92 Y H 0.87 A H 0.80 T C 0.52 K C 0.52 R H 0.49 Q C 0.49 T C 0.62 R C 0.79 P C 0.83 A C 0.64 K C 0.62 K C 0.60 H C 0.75 G C 0.88 N C 0.85 F C 0.80 P C 0.91 C C 0.97 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 15:27:08 2002 Date: Wed, 24 Jul 2002 15:27:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0136 TS samt02.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jul 24 14:59:35 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_723171_13888 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0136TS189_1 Current information on models submitted in prediction T0136TS189 MODEL_INDEX PIN CODE DATE E-mail T0136TS189_1 PIN_723171_13888 5035-2079-5263 07/24/02 14:59:35 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0136 MODEL_INDEX PIN CODE DATE E-mail T0136TS189_1 PIN_723171_13888 5035-2079-5263 07/24/02 14:59:35 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0136 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1HZD_A # Loading PARENT structure: 1hzd (chain: A) # Number of residues in PARENT structure: 266 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue D 83 # IMPORTANT NOTE! Not complete main chain atoms for residue G 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue T 91 # IMPORTANT NOTE! Not complete main chain atoms for residue I 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue R 95 # IMPORTANT NOTE! Not complete main chain atoms for residue P 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue A 99 # IMPORTANT NOTE! Not complete main chain atoms for residue A 100 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue F 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue M 107 # IMPORTANT NOTE! Not complete main chain atoms for residue G 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue S 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue S 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue V 120 # IMPORTANT NOTE! Not complete main chain atoms for residue E 121 # IMPORTANT NOTE! Not complete main chain atoms for residue T 122 # IMPORTANT NOTE! Not complete main chain atoms for residue M 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue T 129 # IMPORTANT NOTE! Not complete main chain atoms for residue G 130 # IMPORTANT NOTE! Not complete main chain atoms for residue T 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue F 133 # IMPORTANT NOTE! Not complete main chain atoms for residue L 134 # IMPORTANT NOTE! Not complete main chain atoms for residue F 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue G 140 # IMPORTANT NOTE! Not complete main chain atoms for residue G 141 # IMPORTANT NOTE! Not complete main chain atoms for residue A 142 # IMPORTANT NOTE! Not complete main chain atoms for residue R 143 # IMPORTANT NOTE! Not complete main chain atoms for residue I 144 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue G 147 # IMPORTANT NOTE! Not complete main chain atoms for residue I 148 # IMPORTANT NOTE! Not complete main chain atoms for residue D 149 # IMPORTANT NOTE! Not complete main chain atoms for residue S 150 # IMPORTANT NOTE! Not complete main chain atoms for residue L 151 # IMPORTANT NOTE! Not complete main chain atoms for residue S 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 154 # IMPORTANT NOTE! Not complete main chain atoms for residue G 155 # IMPORTANT NOTE! Not complete main chain atoms for residue K 156 # IMPORTANT NOTE! Not complete main chain atoms for residue M 157 # IMPORTANT NOTE! Not complete main chain atoms for residue F 158 # IMPORTANT NOTE! Not complete main chain atoms for residue F 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue N 161 # IMPORTANT NOTE! Not complete main chain atoms for residue V 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue G 166 # IMPORTANT NOTE! Not complete main chain atoms for residue V 167 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 170 # IMPORTANT NOTE! Not complete main chain atoms for residue I 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue I 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue G 176 # IMPORTANT NOTE! Not complete main chain atoms for residue P 177 # IMPORTANT NOTE! Not complete main chain atoms for residue C 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue A 182 # IMPORTANT NOTE! Not complete main chain atoms for residue S 183 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 184 # IMPORTANT NOTE! Not complete main chain atoms for residue S 185 # IMPORTANT NOTE! Not complete main chain atoms for residue P 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue D 190 # IMPORTANT NOTE! Not complete main chain atoms for residue F 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue I 193 # IMPORTANT NOTE! Not complete main chain atoms for residue M 194 # IMPORTANT NOTE! Not complete main chain atoms for residue T 195 # IMPORTANT NOTE! Not complete main chain atoms for residue K 196 # IMPORTANT NOTE! Not complete main chain atoms for residue K 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue H 199 # IMPORTANT NOTE! Not complete main chain atoms for residue M 200 # IMPORTANT NOTE! Not complete main chain atoms for residue F 201 # IMPORTANT NOTE! Not complete main chain atoms for residue I 202 # IMPORTANT NOTE! Not complete main chain atoms for residue T 203 # IMPORTANT NOTE! Not complete main chain atoms for residue T 276 # IMPORTANT NOTE! Not complete main chain atoms for residue E 277 # IMPORTANT NOTE! Not complete main chain atoms for residue L 278 # IMPORTANT NOTE! Not complete main chain atoms for residue R 279 # IMPORTANT NOTE! Not complete main chain atoms for residue D 280 # IMPORTANT NOTE! Not complete main chain atoms for residue I 281 # IMPORTANT NOTE! Not complete main chain atoms for residue V 282 # IMPORTANT NOTE! Not complete main chain atoms for residue P 283 # IMPORTANT NOTE! Not complete main chain atoms for residue I 284 # IMPORTANT NOTE! Not complete main chain atoms for residue D 285 # IMPORTANT NOTE! Not complete main chain atoms for residue P 375 # IMPORTANT NOTE! Not complete main chain atoms for residue G 376 # IMPORTANT NOTE! Not complete main chain atoms for residue V 377 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 378 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 379 # IMPORTANT NOTE! Not complete main chain atoms for residue E 380 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 381 # IMPORTANT NOTE! Not complete main chain atoms for residue G 382 # IMPORTANT NOTE! Not complete main chain atoms for residue G 383 # IMPORTANT NOTE! Not complete main chain atoms for residue I 384 # IMPORTANT NOTE! Not complete main chain atoms for residue I 385 # IMPORTANT NOTE! Not complete main chain atoms for residue R 386 # IMPORTANT NOTE! Not complete main chain atoms for residue H 387 # IMPORTANT NOTE! Not complete main chain atoms for residue G 388 # IMPORTANT NOTE! Not complete main chain atoms for residue A 389 # IMPORTANT NOTE! Not complete main chain atoms for residue K 390 # IMPORTANT NOTE! Not complete main chain atoms for residue M 391 # IMPORTANT NOTE! Not complete main chain atoms for residue L 392 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 393 # IMPORTANT NOTE! Not complete main chain atoms for residue A 394 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 395 # IMPORTANT NOTE! Not complete main chain atoms for residue S 396 # IMPORTANT NOTE! Not complete main chain atoms for residue A 437 # IMPORTANT NOTE! Not complete main chain atoms for residue V 438 # IMPORTANT NOTE! Not complete main chain atoms for residue M 439 # IMPORTANT NOTE! Not complete main chain atoms for residue G 440 # IMPORTANT NOTE! Not complete main chain atoms for residue A 441 # IMPORTANT NOTE! Not complete main chain atoms for residue E 442 # IMPORTANT NOTE! Not complete main chain atoms for residue G 443 # IMPORTANT NOTE! Not complete main chain atoms for residue A 444 # IMPORTANT NOTE! Not complete main chain atoms for residue A 445 # IMPORTANT NOTE! Not complete main chain atoms for residue N 446 # IMPORTANT NOTE! Not complete main chain atoms for residue V 447 # IMPORTANT NOTE! Not complete main chain atoms for residue I 448 # IMPORTANT NOTE! Not complete main chain atoms for residue F 449 # IMPORTANT NOTE! Not complete main chain atoms for residue R 450 # IMPORTANT NOTE! Not complete main chain atoms for residue K 451 # IMPORTANT NOTE! Not complete main chain atoms for residue E 452 # IMPORTANT NOTE! Not complete main chain atoms for residue I 453 # IMPORTANT NOTE! Not complete main chain atoms for residue K 454 # IMPORTANT NOTE! Not complete main chain atoms for residue A 455 # IMPORTANT NOTE! Not complete main chain atoms for residue A 456 # IMPORTANT NOTE! Not complete main chain atoms for residue D 457 # IMPORTANT NOTE! Not complete main chain atoms for residue D 458 # IMPORTANT NOTE! Not complete main chain atoms for residue P 459 # IMPORTANT NOTE! Not complete main chain atoms for residue D 460 # IMPORTANT NOTE! Not complete main chain atoms for residue A 461 # IMPORTANT NOTE! Not complete main chain atoms for residue M 462 # IMPORTANT NOTE! Not complete main chain atoms for residue R 463 # IMPORTANT NOTE! Not complete main chain atoms for residue A 464 # IMPORTANT NOTE! Not complete main chain atoms for residue E 465 # IMPORTANT NOTE! Not complete main chain atoms for residue K 466 # IMPORTANT NOTE! Not complete main chain atoms for residue I 467 # IMPORTANT NOTE! Not complete main chain atoms for residue E 468 # IMPORTANT NOTE! Not complete main chain atoms for residue E 469 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 470 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 471 # IMPORTANT NOTE! Not complete main chain atoms for residue N 472 # IMPORTANT NOTE! Not complete main chain atoms for residue A 473 # IMPORTANT NOTE! Not complete main chain atoms for residue F 474 # IMPORTANT NOTE! Not complete main chain atoms for residue N 475 # IMPORTANT NOTE! Not complete main chain atoms for residue T 476 # IMPORTANT NOTE! Not complete main chain atoms for residue P 477 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 478 # IMPORTANT NOTE! Not complete main chain atoms for residue V 479 # IMPORTANT NOTE! Not complete main chain atoms for residue A 480 # IMPORTANT NOTE! Not complete main chain atoms for residue A 481 # IMPORTANT NOTE! Not complete main chain atoms for residue A 482 # IMPORTANT NOTE! Not complete main chain atoms for residue R 483 # IMPORTANT NOTE! Not complete main chain atoms for residue D 488 # IMPORTANT NOTE! Not complete main chain atoms for residue P 492 # IMPORTANT NOTE! Not complete main chain atoms for residue A 493 # IMPORTANT NOTE! Not complete main chain atoms for residue D 494 # IMPORTANT NOTE! Not complete main chain atoms for residue T 495 # IMPORTANT NOTE! Not complete main chain atoms for residue R 496 # IMPORTANT NOTE! Not complete main chain atoms for residue R 497 # IMPORTANT NOTE! Not complete main chain atoms for residue A 502 # IMPORTANT NOTE! Not complete main chain atoms for residue L 503 # IMPORTANT NOTE! Not complete main chain atoms for residue E 504 # IMPORTANT NOTE! Not complete main chain atoms for residue M 505 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 506 # IMPORTANT NOTE! Not complete main chain atoms for residue A 507 # IMPORTANT NOTE! Not complete main chain atoms for residue T 508 # IMPORTANT NOTE! Not complete main chain atoms for residue K 509 # IMPORTANT NOTE! Not complete main chain atoms for residue R 510 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 511 # IMPORTANT NOTE! Not complete main chain atoms for residue T 512 # IMPORTANT NOTE! Not complete main chain atoms for residue R 513 # IMPORTANT NOTE! Not complete main chain atoms for residue P 514 # IMPORTANT NOTE! Not complete main chain atoms for residue A 515 # IMPORTANT NOTE! Not complete main chain atoms for residue K 516 # IMPORTANT NOTE! Not complete main chain atoms for residue K 517 # IMPORTANT NOTE! Not complete main chain atoms for residue H 518 # IMPORTANT NOTE! Not complete main chain atoms for residue G 519 # IMPORTANT NOTE! Not complete main chain atoms for residue N 520 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0136 # Total number of residues in target: 523 # Total number of residues in model: 227 # Total number of atoms in model: 227 # Number of atoms with 1.0 occupancy: 227 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 227 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0136 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1HZD_A ATOM 74 CA ALA 82 53.827 3.492 33.891 1.00 1.00 ATOM 75 CA ASP 83 54.540 -0.060 32.726 1.00 1.00 ATOM 76 CA GLY 84 51.354 -0.888 34.642 1.00 1.00 ATOM 77 CA VAL 85 49.810 -1.824 31.306 1.00 1.00 ATOM 78 CA VAL 86 51.617 -3.929 28.724 1.00 1.00 ATOM 79 CA THR 87 50.588 -4.092 25.073 1.00 1.00 ATOM 80 CA GLY 88 52.334 -7.026 23.438 1.00 1.00 ATOM 81 CA ARG 89 52.106 -8.056 19.804 1.00 1.00 ATOM 82 CA GLY 90 52.665 -11.813 19.624 1.00 1.00 ATOM 83 CA THR 91 54.479 -13.554 16.784 1.00 1.00 ATOM 84 CA ILE 92 54.946 -16.811 14.914 1.00 1.00 ATOM 85 CA LEU 93 52.089 -19.126 15.818 1.00 1.00 ATOM 86 CA GLY 94 50.326 -16.260 17.619 1.00 1.00 ATOM 87 CA ARG 95 50.894 -13.701 14.864 1.00 1.00 ATOM 88 CA PRO 96 47.862 -11.433 14.786 1.00 1.00 ATOM 89 CA VAL 97 47.233 -11.659 18.515 1.00 1.00 ATOM 90 CA HIS 98 47.940 -8.705 20.776 1.00 1.00 ATOM 91 CA ALA 99 47.784 -8.925 24.543 1.00 1.00 ATOM 92 CA ALA 100 46.778 -6.281 27.061 1.00 1.00 ATOM 93 CA SER 101 48.280 -7.154 30.414 1.00 1.00 ATOM 94 CA GLN 102 47.486 -5.279 33.606 1.00 1.00 ATOM 95 CA ASP 103 50.531 -5.132 35.881 1.00 1.00 ATOM 96 CA PHE 104 49.618 -3.245 39.042 1.00 1.00 ATOM 97 CA THR 105 49.864 -5.706 41.933 1.00 1.00 ATOM 98 CA VAL 106 50.401 -2.889 44.427 1.00 1.00 ATOM 99 CA MET 107 46.803 -1.909 43.761 1.00 1.00 ATOM 100 CA GLY 108 45.306 -5.330 43.054 1.00 1.00 ATOM 101 CA GLY 109 45.147 -4.137 39.453 1.00 1.00 ATOM 102 CA SER 110 42.472 -1.675 40.573 1.00 1.00 ATOM 103 CA ALA 111 41.310 0.996 38.121 1.00 1.00 ATOM 104 CA GLY 112 43.336 4.035 39.156 1.00 1.00 ATOM 105 CA GLU 113 42.773 7.303 37.315 1.00 1.00 ATOM 106 CA THR 114 46.084 6.569 35.593 1.00 1.00 ATOM 107 CA GLN 115 45.495 2.928 34.660 1.00 1.00 ATOM 108 CA SER 116 42.306 3.828 32.778 1.00 1.00 ATOM 109 CA THR 117 44.209 6.629 31.011 1.00 1.00 ATOM 110 CA LYS 118 46.766 4.138 29.723 1.00 1.00 ATOM 111 CA VAL 119 43.946 1.687 29.021 1.00 1.00 ATOM 112 CA VAL 120 41.916 4.311 27.176 1.00 1.00 ATOM 113 CA GLU 121 45.125 5.201 25.350 1.00 1.00 ATOM 114 CA THR 122 45.961 1.603 24.399 1.00 1.00 ATOM 115 CA MET 123 42.351 0.935 23.344 1.00 1.00 ATOM 116 CA GLU 124 42.193 3.865 20.904 1.00 1.00 ATOM 117 CA GLN 125 45.472 2.649 19.431 1.00 1.00 ATOM 118 CA ALA 126 44.066 -0.818 18.751 1.00 1.00 ATOM 119 CA LEU 127 40.829 0.599 17.330 1.00 1.00 ATOM 120 CA LEU 128 42.715 1.522 14.157 1.00 1.00 ATOM 122 CA THR 129 44.565 -3.129 11.154 1.00 1.00 ATOM 123 CA GLY 130 47.135 -5.870 11.797 1.00 1.00 ATOM 124 CA THR 131 45.449 -7.303 14.905 1.00 1.00 ATOM 125 CA PRO 132 43.115 -10.276 14.414 1.00 1.00 ATOM 126 CA PHE 133 42.244 -11.038 18.074 1.00 1.00 ATOM 127 CA LEU 134 42.856 -9.273 21.392 1.00 1.00 ATOM 128 CA PHE 135 43.360 -10.964 24.746 1.00 1.00 ATOM 129 CA PHE 136 42.940 -9.031 27.977 1.00 1.00 ATOM 130 CA TYR 137 44.598 -10.521 31.037 1.00 1.00 ATOM 131 CA ASP 138 46.639 -9.928 34.156 1.00 1.00 ATOM 132 CA SER 139 50.339 -10.536 34.754 1.00 1.00 ATOM 139 CA GLY 140 39.667 -5.760 41.677 1.00 1.00 ATOM 140 CA GLY 141 37.656 -2.909 40.189 1.00 1.00 ATOM 141 CA ALA 142 37.844 0.783 41.048 1.00 1.00 ATOM 142 CA ARG 143 40.438 2.031 43.527 1.00 1.00 ATOM 143 CA ILE 144 38.768 2.531 46.910 1.00 1.00 ATOM 144 CA GLN 145 41.664 4.688 48.101 1.00 1.00 ATOM 145 CA GLU 146 41.411 7.305 45.368 1.00 1.00 ATOM 146 CA GLY 147 37.592 7.243 45.526 1.00 1.00 ATOM 152 CA ILE 148 30.984 16.254 42.033 1.00 1.00 ATOM 153 CA ASP 149 34.037 14.231 40.987 1.00 1.00 ATOM 154 CA SER 150 32.684 10.714 41.515 1.00 1.00 ATOM 155 CA LEU 151 30.206 10.692 38.642 1.00 1.00 ATOM 156 CA SER 152 32.803 11.927 36.083 1.00 1.00 ATOM 157 CA GLY 153 35.404 9.341 37.071 1.00 1.00 ATOM 158 CA TYR 154 32.920 6.460 37.069 1.00 1.00 ATOM 159 CA GLY 155 31.559 7.507 33.673 1.00 1.00 ATOM 160 CA LYS 156 35.162 7.605 32.414 1.00 1.00 ATOM 161 CA MET 157 35.480 3.923 33.362 1.00 1.00 ATOM 162 CA PHE 158 32.106 3.099 31.779 1.00 1.00 ATOM 163 CA PHE 159 33.269 4.753 28.537 1.00 1.00 ATOM 164 CA ALA 160 36.609 2.937 28.332 1.00 1.00 ATOM 165 CA ASN 161 34.932 -0.366 29.137 1.00 1.00 ATOM 166 CA VAL 162 32.425 0.464 26.388 1.00 1.00 ATOM 167 CA LYS 163 35.204 1.253 23.857 1.00 1.00 ATOM 168 CA LEU 164 36.637 -2.174 24.630 1.00 1.00 ATOM 169 CA SER 165 33.296 -3.810 23.921 1.00 1.00 ATOM 170 CA GLY 166 33.499 -2.100 20.550 1.00 1.00 ATOM 172 CA VAL 167 36.854 -4.319 15.822 1.00 1.00 ATOM 173 CA VAL 168 38.223 -7.835 16.310 1.00 1.00 ATOM 174 CA PRO 169 37.302 -10.746 18.618 1.00 1.00 ATOM 175 CA GLN 170 38.129 -10.079 22.265 1.00 1.00 ATOM 176 CA ILE 171 38.799 -12.673 24.966 1.00 1.00 ATOM 177 CA ALA 172 39.048 -12.015 28.706 1.00 1.00 ATOM 178 CA ILE 173 41.455 -14.409 30.486 1.00 1.00 ATOM 179 CA ILE 174 40.505 -14.491 34.162 1.00 1.00 ATOM 180 CA ALA 175 43.177 -16.322 36.186 1.00 1.00 ATOM 181 CA GLY 176 42.193 -14.479 39.352 1.00 1.00 ATOM 182 CA PRO 177 39.967 -12.103 41.313 1.00 1.00 ATOM 183 CA CYS 178 37.743 -9.999 39.023 1.00 1.00 ATOM 184 CA ALA 179 35.437 -7.584 40.892 1.00 1.00 ATOM 185 CA GLY 180 33.330 -4.621 39.794 1.00 1.00 ATOM 186 CA GLY 181 35.093 -2.803 36.977 1.00 1.00 ATOM 187 CA ALA 182 37.234 -5.911 36.663 1.00 1.00 ATOM 188 CA SER 183 34.332 -8.201 35.760 1.00 1.00 ATOM 189 CA TYR 184 32.684 -5.351 33.839 1.00 1.00 ATOM 190 CA SER 185 35.791 -5.090 31.698 1.00 1.00 ATOM 191 CA PRO 186 35.583 -8.851 31.157 1.00 1.00 ATOM 192 CA ALA 187 31.876 -8.482 30.337 1.00 1.00 ATOM 193 CA LEU 188 32.974 -6.045 27.626 1.00 1.00 ATOM 194 CA THR 189 34.968 -8.811 25.947 1.00 1.00 ATOM 195 CA ASP 190 33.233 -11.070 23.419 1.00 1.00 ATOM 196 CA PHE 191 34.305 -14.194 25.283 1.00 1.00 ATOM 197 CA ILE 192 35.331 -14.972 28.861 1.00 1.00 ATOM 198 CA ILE 193 37.404 -17.939 30.053 1.00 1.00 ATOM 199 CA MET 194 38.527 -18.443 33.646 1.00 1.00 ATOM 200 CA THR 195 40.262 -20.785 36.086 1.00 1.00 ATOM 201 CA LYS 196 37.967 -22.682 38.416 1.00 1.00 ATOM 202 CA LYS 197 39.757 -21.033 41.336 1.00 1.00 ATOM 203 CA ALA 198 39.143 -17.524 39.991 1.00 1.00 ATOM 204 CA HIS 199 36.555 -15.446 41.839 1.00 1.00 ATOM 205 CA MET 200 34.317 -12.797 40.289 1.00 1.00 ATOM 206 CA PHE 201 31.278 -10.693 41.048 1.00 1.00 ATOM 207 CA ILE 202 29.711 -7.260 41.420 1.00 1.00 ATOM 208 CA THR 203 29.624 -6.270 45.076 1.00 1.00 ATOM 209 CA THR 276 28.661 -2.614 44.635 1.00 1.00 ATOM 210 CA GLU 277 25.381 -2.880 46.510 1.00 1.00 ATOM 211 CA LEU 278 27.228 -3.803 49.725 1.00 1.00 ATOM 212 CA ARG 279 28.873 -0.376 49.413 1.00 1.00 ATOM 213 CA ASP 280 25.557 1.355 48.680 1.00 1.00 ATOM 214 CA ILE 281 26.441 2.015 45.046 1.00 1.00 ATOM 215 CA VAL 282 25.658 0.026 41.900 1.00 1.00 ATOM 216 CA PRO 283 27.861 -1.443 39.188 1.00 1.00 ATOM 217 CA ILE 284 28.993 1.637 37.277 1.00 1.00 ATOM 218 CA ASP 285 31.049 0.199 34.444 1.00 1.00 ATOM 219 CA PRO 375 28.254 -1.232 32.303 1.00 1.00 ATOM 220 CA GLY 376 27.622 -4.152 34.625 1.00 1.00 ATOM 221 CA VAL 377 23.890 -3.460 35.059 1.00 1.00 ATOM 222 CA GLN 378 23.513 -3.788 31.314 1.00 1.00 ATOM 223 CA GLN 379 25.964 -6.487 30.292 1.00 1.00 ATOM 224 CA GLU 380 25.397 -8.920 33.170 1.00 1.00 ATOM 225 CA TYR 381 21.644 -9.282 32.565 1.00 1.00 ATOM 226 CA GLY 382 22.339 -9.549 28.838 1.00 1.00 ATOM 227 CA GLY 383 24.952 -12.267 29.317 1.00 1.00 ATOM 228 CA ILE 384 23.274 -14.520 31.895 1.00 1.00 ATOM 229 CA ILE 385 19.662 -13.413 32.023 1.00 1.00 ATOM 230 CA ARG 386 17.735 -10.879 34.079 1.00 1.00 ATOM 231 CA HIS 387 16.812 -13.085 37.029 1.00 1.00 ATOM 232 CA GLY 388 20.358 -14.322 37.708 1.00 1.00 ATOM 233 CA ALA 389 21.977 -10.945 37.045 1.00 1.00 ATOM 234 CA LYS 390 19.589 -9.417 39.582 1.00 1.00 ATOM 235 CA MET 391 20.223 -12.047 42.251 1.00 1.00 ATOM 236 CA LEU 392 23.992 -11.619 41.880 1.00 1.00 ATOM 237 CA TYR 393 23.824 -7.825 42.039 1.00 1.00 ATOM 238 CA ALA 394 21.248 -7.867 44.882 1.00 1.00 ATOM 239 CA TYR 395 23.201 -10.337 47.025 1.00 1.00 ATOM 240 CA SER 396 26.480 -8.917 45.765 1.00 1.00 ATOM 241 CA ALA 437 27.658 -12.519 45.587 1.00 1.00 ATOM 242 CA VAL 438 31.139 -13.548 44.411 1.00 1.00 ATOM 243 CA MET 439 31.220 -16.650 42.177 1.00 1.00 ATOM 244 CA GLY 440 34.072 -19.036 41.488 1.00 1.00 ATOM 245 CA ALA 441 35.072 -20.345 38.077 1.00 1.00 ATOM 246 CA GLU 442 32.783 -23.377 38.125 1.00 1.00 ATOM 247 CA GLY 443 29.758 -21.346 39.244 1.00 1.00 ATOM 248 CA ALA 444 30.341 -18.599 36.689 1.00 1.00 ATOM 249 CA ALA 445 30.515 -21.373 34.099 1.00 1.00 ATOM 250 CA ASN 446 27.266 -22.929 35.314 1.00 1.00 ATOM 251 CA VAL 447 25.420 -19.589 34.955 1.00 1.00 ATOM 252 CA ILE 448 27.006 -18.912 31.569 1.00 1.00 ATOM 268 CA PHE 449 45.434 -17.114 29.492 1.00 1.00 ATOM 269 CA ARG 450 46.727 -20.294 27.805 1.00 1.00 ATOM 270 CA LYS 451 43.213 -21.301 26.834 1.00 1.00 ATOM 271 CA GLU 452 42.508 -17.768 25.551 1.00 1.00 ATOM 272 CA ILE 453 45.675 -17.914 23.432 1.00 1.00 ATOM 273 CA LYS 454 44.542 -21.308 22.143 1.00 1.00 ATOM 274 CA ALA 455 41.053 -20.045 21.375 1.00 1.00 ATOM 275 CA ALA 456 42.632 -17.054 19.649 1.00 1.00 ATOM 276 CA ASP 457 44.787 -19.108 17.238 1.00 1.00 ATOM 277 CA ASP 458 41.524 -20.781 16.371 1.00 1.00 ATOM 278 CA PRO 459 40.388 -17.387 15.011 1.00 1.00 ATOM 279 CA ASP 460 43.544 -16.393 13.117 1.00 1.00 ATOM 285 CA ALA 461 34.530 -10.981 7.443 1.00 1.00 ATOM 286 CA MET 462 35.441 -11.375 11.118 1.00 1.00 ATOM 287 CA ARG 463 35.110 -7.644 11.822 1.00 1.00 ATOM 288 CA ALA 464 31.795 -7.151 10.028 1.00 1.00 ATOM 289 CA GLU 465 30.481 -10.359 11.620 1.00 1.00 ATOM 290 CA LYS 466 31.203 -8.794 14.990 1.00 1.00 ATOM 291 CA ILE 467 29.443 -5.578 13.941 1.00 1.00 ATOM 292 CA GLU 468 26.379 -7.441 12.707 1.00 1.00 ATOM 293 CA GLU 469 26.140 -9.386 15.975 1.00 1.00 ATOM 294 CA TYR 470 26.723 -6.480 18.371 1.00 1.00 ATOM 295 CA GLN 471 24.558 -3.943 16.519 1.00 1.00 ATOM 296 CA ASN 472 21.774 -6.340 15.558 1.00 1.00 ATOM 297 CA ALA 473 21.237 -7.690 19.057 1.00 1.00 ATOM 298 CA PHE 474 20.295 -4.177 20.229 1.00 1.00 ATOM 299 CA ASN 475 17.567 -3.434 17.632 1.00 1.00 ATOM 300 CA THR 476 14.527 -5.324 16.349 1.00 1.00 ATOM 301 CA PRO 477 15.249 -8.441 14.276 1.00 1.00 ATOM 302 CA TYR 478 14.157 -6.945 10.948 1.00 1.00 ATOM 303 CA VAL 479 16.533 -3.991 11.293 1.00 1.00 ATOM 304 CA ALA 480 19.133 -6.537 12.407 1.00 1.00 ATOM 305 CA ALA 481 18.623 -8.462 9.172 1.00 1.00 ATOM 306 CA ALA 482 19.186 -5.219 7.220 1.00 1.00 ATOM 307 CA ARG 483 22.381 -4.687 9.199 1.00 1.00 ATOM 314 CA ASP 488 31.254 -5.381 2.616 1.00 1.00 ATOM 315 CA PRO 492 32.792 -8.855 2.209 1.00 1.00 ATOM 316 CA ALA 493 31.703 -9.181 -1.420 1.00 1.00 ATOM 317 CA ASP 494 34.215 -6.838 -3.121 1.00 1.00 ATOM 318 CA THR 495 37.113 -8.240 -1.089 1.00 1.00 ATOM 319 CA ARG 496 40.044 -10.163 -2.528 1.00 1.00 ATOM 320 CA ARG 497 39.739 -12.506 0.467 1.00 1.00 ATOM 321 CA ALA 502 36.262 -13.612 -0.590 1.00 1.00 ATOM 322 CA LEU 503 37.779 -14.719 -3.900 1.00 1.00 ATOM 323 CA GLU 504 40.966 -16.012 -2.254 1.00 1.00 ATOM 324 CA MET 505 38.689 -18.208 -0.168 1.00 1.00 ATOM 325 CA TYR 506 37.149 -19.739 -3.277 1.00 1.00 ATOM 326 CA ALA 507 40.499 -20.029 -5.083 1.00 1.00 ATOM 327 CA THR 508 41.888 -21.815 -2.034 1.00 1.00 ATOM 328 CA LYS 509 39.290 -24.579 -1.792 1.00 1.00 ATOM 329 CA ARG 510 39.365 -25.179 -5.546 1.00 1.00 ATOM 330 CA GLN 511 43.145 -25.515 -5.379 1.00 1.00 ATOM 331 CA THR 512 42.757 -27.640 -2.231 1.00 1.00 ATOM 332 CA ARG 513 44.949 -25.304 -0.180 1.00 1.00 ATOM 333 CA PRO 514 44.691 -23.239 3.049 1.00 1.00 ATOM 334 CA ALA 515 43.483 -19.706 2.163 1.00 1.00 ATOM 335 CA LYS 516 45.997 -16.928 2.795 1.00 1.00 ATOM 336 CA LYS 517 43.687 -14.051 3.676 1.00 1.00 ATOM 337 CA HIS 518 45.258 -10.592 3.967 1.00 1.00 ATOM 338 CA GLY 519 42.221 -8.666 5.154 1.00 1.00 ATOM 339 CA ASN 520 41.535 -7.350 1.652 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 15:27:19 2002 Date: Wed, 24 Jul 2002 15:27:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0136 TS samt02.pdb 3 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jul 24 14:59:49 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_720820_13889 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0136TS189_3 Current information on models submitted in prediction T0136TS189 MODEL_INDEX PIN CODE DATE E-mail T0136TS189_3 PIN_720820_13889 5035-2079-5263 07/24/02 14:59:49 casp5@bialko.llnl.gov T0136TS189_1 PIN_723171_13888 5035-2079-5263 07/24/02 14:59:35 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0136 MODEL_INDEX PIN CODE DATE E-mail T0136TS189_1 PIN_723171_13888 5035-2079-5263 07/24/02 14:59:35 casp5@bialko.llnl.gov T0136TS189_3 PIN_720820_13889 5035-2079-5263 07/24/02 14:59:49 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0136 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1DCI_A # Loading PARENT structure: 1dci (chain: A) # Number of residues in PARENT structure: 275 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue P 81 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue D 83 # IMPORTANT NOTE! Not complete main chain atoms for residue G 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue T 91 # IMPORTANT NOTE! Not complete main chain atoms for residue I 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue R 95 # IMPORTANT NOTE! Not complete main chain atoms for residue P 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue F 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue M 107 # IMPORTANT NOTE! Not complete main chain atoms for residue G 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue S 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue G 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue T 114 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue S 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue V 120 # IMPORTANT NOTE! Not complete main chain atoms for residue E 121 # IMPORTANT NOTE! Not complete main chain atoms for residue T 122 # IMPORTANT NOTE! Not complete main chain atoms for residue M 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue T 129 # IMPORTANT NOTE! Not complete main chain atoms for residue G 130 # IMPORTANT NOTE! Not complete main chain atoms for residue T 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue F 133 # IMPORTANT NOTE! Not complete main chain atoms for residue L 134 # IMPORTANT NOTE! Not complete main chain atoms for residue F 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue G 140 # IMPORTANT NOTE! Not complete main chain atoms for residue R 143 # IMPORTANT NOTE! Not complete main chain atoms for residue I 144 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue G 147 # IMPORTANT NOTE! Not complete main chain atoms for residue I 148 # IMPORTANT NOTE! Not complete main chain atoms for residue D 149 # IMPORTANT NOTE! Not complete main chain atoms for residue S 150 # IMPORTANT NOTE! Not complete main chain atoms for residue L 151 # IMPORTANT NOTE! Not complete main chain atoms for residue S 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 154 # IMPORTANT NOTE! Not complete main chain atoms for residue G 155 # IMPORTANT NOTE! Not complete main chain atoms for residue K 156 # IMPORTANT NOTE! Not complete main chain atoms for residue M 157 # IMPORTANT NOTE! Not complete main chain atoms for residue F 158 # IMPORTANT NOTE! Not complete main chain atoms for residue F 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue N 161 # IMPORTANT NOTE! Not complete main chain atoms for residue V 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue G 166 # IMPORTANT NOTE! Not complete main chain atoms for residue V 167 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 170 # IMPORTANT NOTE! Not complete main chain atoms for residue I 171 # IMPORTANT NOTE! Not complete main chain atoms for residue A 172 # IMPORTANT NOTE! Not complete main chain atoms for residue I 173 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue G 176 # IMPORTANT NOTE! Not complete main chain atoms for residue P 177 # IMPORTANT NOTE! Not complete main chain atoms for residue C 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue G 181 # IMPORTANT NOTE! Not complete main chain atoms for residue A 182 # IMPORTANT NOTE! Not complete main chain atoms for residue S 183 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 184 # IMPORTANT NOTE! Not complete main chain atoms for residue S 185 # IMPORTANT NOTE! Not complete main chain atoms for residue P 186 # IMPORTANT NOTE! Not complete main chain atoms for residue A 187 # IMPORTANT NOTE! Not complete main chain atoms for residue L 188 # IMPORTANT NOTE! Not complete main chain atoms for residue T 189 # IMPORTANT NOTE! Not complete main chain atoms for residue D 190 # IMPORTANT NOTE! Not complete main chain atoms for residue F 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue I 193 # IMPORTANT NOTE! Not complete main chain atoms for residue M 194 # IMPORTANT NOTE! Not complete main chain atoms for residue T 195 # IMPORTANT NOTE! Not complete main chain atoms for residue K 196 # IMPORTANT NOTE! Not complete main chain atoms for residue K 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue H 199 # IMPORTANT NOTE! Not complete main chain atoms for residue M 200 # IMPORTANT NOTE! Not complete main chain atoms for residue F 201 # IMPORTANT NOTE! Not complete main chain atoms for residue V 216 # IMPORTANT NOTE! Not complete main chain atoms for residue T 217 # IMPORTANT NOTE! Not complete main chain atoms for residue A 218 # IMPORTANT NOTE! Not complete main chain atoms for residue D 219 # IMPORTANT NOTE! Not complete main chain atoms for residue E 220 # IMPORTANT NOTE! Not complete main chain atoms for residue L 221 # IMPORTANT NOTE! Not complete main chain atoms for residue G 222 # IMPORTANT NOTE! Not complete main chain atoms for residue G 223 # IMPORTANT NOTE! Not complete main chain atoms for residue A 224 # IMPORTANT NOTE! Not complete main chain atoms for residue E 225 # IMPORTANT NOTE! Not complete main chain atoms for residue P 268 # IMPORTANT NOTE! Not complete main chain atoms for residue I 453 # IMPORTANT NOTE! Not complete main chain atoms for residue K 454 # IMPORTANT NOTE! Not complete main chain atoms for residue A 455 # IMPORTANT NOTE! Not complete main chain atoms for residue A 456 # IMPORTANT NOTE! Not complete main chain atoms for residue D 457 # IMPORTANT NOTE! Not complete main chain atoms for residue D 458 # IMPORTANT NOTE! Not complete main chain atoms for residue P 459 # IMPORTANT NOTE! Not complete main chain atoms for residue D 460 # IMPORTANT NOTE! Not complete main chain atoms for residue A 461 # IMPORTANT NOTE! Not complete main chain atoms for residue M 462 # IMPORTANT NOTE! Not complete main chain atoms for residue R 463 # IMPORTANT NOTE! Not complete main chain atoms for residue A 464 # IMPORTANT NOTE! Not complete main chain atoms for residue E 469 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 470 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 471 # IMPORTANT NOTE! Not complete main chain atoms for residue N 472 # IMPORTANT NOTE! Not complete main chain atoms for residue A 473 # IMPORTANT NOTE! Not complete main chain atoms for residue F 474 # IMPORTANT NOTE! Not complete main chain atoms for residue N 475 # IMPORTANT NOTE! Not complete main chain atoms for residue T 476 # IMPORTANT NOTE! Not complete main chain atoms for residue R 497 # IMPORTANT NOTE! Not complete main chain atoms for residue K 498 # IMPORTANT NOTE! Not complete main chain atoms for residue I 499 # IMPORTANT NOTE! Not complete main chain atoms for residue A 500 # IMPORTANT NOTE! Not complete main chain atoms for residue S 501 # IMPORTANT NOTE! Not complete main chain atoms for residue A 502 # IMPORTANT NOTE! Not complete main chain atoms for residue L 503 # IMPORTANT NOTE! Not complete main chain atoms for residue E 504 # IMPORTANT NOTE! Not complete main chain atoms for residue M 505 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 506 # IMPORTANT NOTE! Not complete main chain atoms for residue R 510 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 511 # IMPORTANT NOTE! Not complete main chain atoms for residue T 512 # IMPORTANT NOTE! Not complete main chain atoms for residue R 513 # IMPORTANT NOTE! Not complete main chain atoms for residue P 514 # IMPORTANT NOTE! Not complete main chain atoms for residue A 515 # IMPORTANT NOTE! Not complete main chain atoms for residue K 516 # IMPORTANT NOTE! Not complete main chain atoms for residue K 517 # IMPORTANT NOTE! Not complete main chain atoms for residue H 518 # IMPORTANT NOTE! Not complete main chain atoms for residue G 519 # IMPORTANT NOTE! Not complete main chain atoms for residue N 520 # IMPORTANT NOTE! Not complete main chain atoms for residue F 521 # IMPORTANT NOTE! Not complete main chain atoms for residue P 522 # IMPORTANT NOTE! Not complete main chain atoms for residue C 523 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0136 # Total number of residues in target: 523 # Total number of residues in model: 171 # Total number of atoms in model: 171 # Number of atoms with 1.0 occupancy: 171 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 171 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0136 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1DCI_A ATOM 53 CA PRO 81 92.347 6.690 -4.466 1.00 1.00 ATOM 54 CA ALA 82 91.689 10.417 -4.922 1.00 1.00 ATOM 55 CA ASP 83 88.693 12.070 -6.597 1.00 1.00 ATOM 56 CA GLY 84 90.301 15.376 -7.620 1.00 1.00 ATOM 57 CA VAL 85 94.028 14.629 -8.002 1.00 1.00 ATOM 58 CA VAL 86 96.223 11.803 -9.326 1.00 1.00 ATOM 59 CA THR 87 99.628 10.851 -7.912 1.00 1.00 ATOM 60 CA GLY 88 102.121 8.803 -9.926 1.00 1.00 ATOM 61 CA ARG 89 105.756 7.809 -9.515 1.00 1.00 ATOM 62 CA GLY 90 107.360 9.592 -12.458 1.00 1.00 ATOM 63 CA THR 91 110.842 8.160 -12.021 1.00 1.00 ATOM 64 CA ILE 92 113.092 7.170 -9.116 1.00 1.00 ATOM 65 CA LEU 93 112.462 9.427 -6.116 1.00 1.00 ATOM 66 CA GLY 94 110.099 11.761 -8.007 1.00 1.00 ATOM 67 CA ARG 95 106.347 11.968 -7.453 1.00 1.00 ATOM 68 CA PRO 96 103.992 13.659 -9.906 1.00 1.00 ATOM 69 CA VAL 97 100.928 15.268 -8.334 1.00 1.00 ATOM 70 CA HIS 98 98.461 16.074 -11.113 1.00 1.00 ATOM 71 CA GLN 102 95.295 18.138 -10.659 1.00 1.00 ATOM 72 CA ASP 103 92.849 15.719 -12.263 1.00 1.00 ATOM 73 CA PHE 104 89.395 17.050 -13.152 1.00 1.00 ATOM 74 CA THR 105 90.115 18.034 -16.778 1.00 1.00 ATOM 75 CA VAL 106 86.468 18.132 -17.808 1.00 1.00 ATOM 76 CA MET 107 85.957 20.804 -15.120 1.00 1.00 ATOM 77 CA GLY 108 89.233 22.617 -15.886 1.00 1.00 ATOM 78 CA GLY 109 90.689 21.281 -12.617 1.00 1.00 ATOM 79 CA SER 110 88.340 23.423 -10.543 1.00 1.00 ATOM 80 CA ALA 111 89.082 23.170 -6.817 1.00 1.00 ATOM 81 CA GLY 112 85.986 21.548 -5.362 1.00 1.00 ATOM 82 CA GLU 113 85.420 20.399 -1.791 1.00 1.00 ATOM 83 CA THR 114 87.328 17.139 -2.142 1.00 1.00 ATOM 84 CA GLN 115 90.400 18.863 -3.573 1.00 1.00 ATOM 85 CA SER 116 90.952 20.899 -0.365 1.00 1.00 ATOM 86 CA THR 117 91.003 17.736 1.742 1.00 1.00 ATOM 87 CA LYS 118 92.919 15.583 -0.757 1.00 1.00 ATOM 88 CA VAL 119 95.886 17.868 -1.295 1.00 1.00 ATOM 89 CA VAL 120 96.436 17.931 2.486 1.00 1.00 ATOM 90 CA GLU 121 96.265 14.118 2.663 1.00 1.00 ATOM 91 CA THR 122 98.631 13.864 -0.316 1.00 1.00 ATOM 92 CA MET 123 101.427 16.176 0.794 1.00 1.00 ATOM 93 CA GLU 124 101.269 14.894 4.393 1.00 1.00 ATOM 94 CA GLN 125 101.951 11.413 2.999 1.00 1.00 ATOM 95 CA ALA 126 104.690 12.737 0.658 1.00 1.00 ATOM 96 CA LEU 127 106.320 14.534 3.626 1.00 1.00 ATOM 97 CA LEU 128 106.753 11.203 5.431 1.00 1.00 ATOM 99 CA THR 129 111.332 8.332 2.683 1.00 1.00 ATOM 100 CA GLY 130 111.788 7.438 -0.980 1.00 1.00 ATOM 101 CA THR 131 110.503 10.748 -2.410 1.00 1.00 ATOM 102 CA PRO 132 113.035 13.571 -2.878 1.00 1.00 ATOM 103 CA PHE 133 111.202 15.966 -5.241 1.00 1.00 ATOM 104 CA LEU 134 107.666 16.611 -6.480 1.00 1.00 ATOM 105 CA PHE 135 106.241 17.950 -9.742 1.00 1.00 ATOM 106 CA PHE 136 102.745 19.460 -9.758 1.00 1.00 ATOM 107 CA TYR 137 100.843 19.903 -13.042 1.00 1.00 ATOM 108 CA ASP 138 97.245 19.870 -14.296 1.00 1.00 ATOM 109 CA SER 139 95.515 17.488 -16.684 1.00 1.00 ATOM 110 CA GLY 140 93.642 18.749 -19.753 1.00 1.00 ATOM 111 CA ARG 143 93.507 22.268 -21.185 1.00 1.00 ATOM 112 CA ILE 144 94.720 24.368 -18.257 1.00 1.00 ATOM 113 CA GLN 145 96.462 24.200 -14.887 1.00 1.00 ATOM 137 CA GLU 146 79.055 32.027 11.730 1.00 1.00 ATOM 138 CA GLY 147 82.533 33.611 12.090 1.00 1.00 ATOM 139 CA ILE 148 83.655 30.800 14.417 1.00 1.00 ATOM 140 CA ASP 149 82.800 28.329 11.637 1.00 1.00 ATOM 141 CA SER 150 84.345 30.461 8.847 1.00 1.00 ATOM 142 CA LEU 151 87.593 30.891 10.776 1.00 1.00 ATOM 143 CA SER 152 87.978 27.119 10.838 1.00 1.00 ATOM 144 CA GLY 153 86.962 26.786 7.175 1.00 1.00 ATOM 145 CA TYR 154 89.541 29.369 6.058 1.00 1.00 ATOM 146 CA GLY 155 92.172 27.733 8.267 1.00 1.00 ATOM 147 CA LYS 156 91.523 24.318 6.746 1.00 1.00 ATOM 148 CA MET 157 91.674 25.657 3.148 1.00 1.00 ATOM 149 CA PHE 158 94.931 27.457 3.901 1.00 1.00 ATOM 150 CA PHE 159 96.344 24.084 5.016 1.00 1.00 ATOM 151 CA ALA 160 95.742 22.767 1.455 1.00 1.00 ATOM 152 CA ASN 161 98.681 24.893 0.276 1.00 1.00 ATOM 153 CA VAL 162 100.668 25.223 3.502 1.00 1.00 ATOM 154 CA LYS 163 101.371 21.461 3.403 1.00 1.00 ATOM 155 CA LEU 164 103.342 22.112 0.171 1.00 1.00 ATOM 156 CA SER 165 105.624 24.547 2.009 1.00 1.00 ATOM 157 CA GLY 166 105.912 22.291 5.113 1.00 1.00 ATOM 159 CA VAL 167 110.632 19.160 3.120 1.00 1.00 ATOM 160 CA VAL 168 110.982 17.965 -0.473 1.00 1.00 ATOM 161 CA PRO 169 111.285 20.602 -3.209 1.00 1.00 ATOM 162 CA GLN 170 108.024 21.032 -5.142 1.00 1.00 ATOM 163 CA ILE 171 108.099 22.212 -8.756 1.00 1.00 ATOM 164 CA ALA 172 104.963 23.747 -10.314 1.00 1.00 ATOM 165 CA ILE 173 104.688 23.204 -14.075 1.00 1.00 ATOM 166 CA ILE 174 101.947 25.456 -15.366 1.00 1.00 ATOM 167 CA ALA 175 100.233 25.462 -18.733 1.00 1.00 ATOM 168 CA GLY 176 97.294 27.596 -19.863 1.00 1.00 ATOM 169 CA PRO 177 95.373 29.485 -17.170 1.00 1.00 ATOM 170 CA CYS 178 96.395 29.456 -13.518 1.00 1.00 ATOM 171 CA ALA 179 93.517 31.336 -11.902 1.00 1.00 ATOM 172 CA GLY 180 92.684 32.374 -8.347 1.00 1.00 ATOM 173 CA GLY 181 93.356 29.314 -6.182 1.00 1.00 ATOM 174 CA ALA 182 95.992 28.322 -8.735 1.00 1.00 ATOM 175 CA SER 183 98.168 31.327 -7.722 1.00 1.00 ATOM 176 CA TYR 184 97.740 30.419 -4.047 1.00 1.00 ATOM 177 CA SER 185 98.941 26.909 -4.921 1.00 1.00 ATOM 178 CA PRO 186 101.954 27.852 -7.049 1.00 1.00 ATOM 179 CA ALA 187 103.126 30.532 -4.627 1.00 1.00 ATOM 180 CA LEU 188 103.475 27.750 -1.974 1.00 1.00 ATOM 181 CA THR 189 105.606 25.642 -4.322 1.00 1.00 ATOM 182 CA ASP 190 109.351 26.196 -4.545 1.00 1.00 ATOM 183 CA PHE 191 110.136 26.427 -8.269 1.00 1.00 ATOM 184 CA ILE 192 107.720 27.545 -10.977 1.00 1.00 ATOM 185 CA ILE 193 107.937 26.777 -14.724 1.00 1.00 ATOM 186 CA MET 194 105.316 27.620 -17.335 1.00 1.00 ATOM 187 CA THR 195 104.444 27.400 -21.003 1.00 1.00 ATOM 188 CA LYS 196 104.306 30.245 -23.521 1.00 1.00 ATOM 189 CA LYS 197 100.482 30.214 -23.396 1.00 1.00 ATOM 190 CA ALA 198 100.214 30.251 -19.598 1.00 1.00 ATOM 191 CA HIS 199 98.621 33.062 -17.652 1.00 1.00 ATOM 192 CA MET 200 98.248 33.915 -13.984 1.00 1.00 ATOM 193 CA PHE 201 95.463 35.795 -12.262 1.00 1.00 ATOM 194 CA VAL 216 94.881 36.858 -8.668 1.00 1.00 ATOM 195 CA THR 217 91.168 36.563 -9.269 1.00 1.00 ATOM 196 CA ALA 218 89.748 36.780 -5.756 1.00 1.00 ATOM 197 CA ASP 219 88.763 40.479 -5.759 1.00 1.00 ATOM 198 CA GLU 220 86.471 39.686 -8.748 1.00 1.00 ATOM 199 CA LEU 221 84.626 37.167 -6.494 1.00 1.00 ATOM 200 CA GLY 222 84.184 39.768 -3.742 1.00 1.00 ATOM 201 CA GLY 223 86.853 38.632 -1.314 1.00 1.00 ATOM 202 CA ALA 224 90.490 39.245 -0.414 1.00 1.00 ATOM 203 CA GLU 225 92.423 36.066 -1.255 1.00 1.00 ATOM 204 CA PRO 268 92.831 34.081 1.944 1.00 1.00 ATOM 284 CA ILE 453 113.008 35.518 10.712 1.00 1.00 ATOM 285 CA LYS 454 115.903 37.983 11.014 1.00 1.00 ATOM 286 CA ALA 455 119.245 37.012 9.528 1.00 1.00 ATOM 287 CA ALA 456 120.712 36.667 13.052 1.00 1.00 ATOM 288 CA ASP 457 117.854 34.448 14.295 1.00 1.00 ATOM 289 CA ASP 458 118.066 32.394 11.098 1.00 1.00 ATOM 290 CA PRO 459 121.839 31.917 11.459 1.00 1.00 ATOM 291 CA ASP 460 121.321 30.742 15.071 1.00 1.00 ATOM 292 CA ALA 461 118.663 28.279 13.891 1.00 1.00 ATOM 293 CA MET 462 120.966 27.086 11.084 1.00 1.00 ATOM 294 CA ARG 463 123.743 26.292 13.574 1.00 1.00 ATOM 295 CA ALA 464 121.284 24.309 15.777 1.00 1.00 ATOM 296 CA GLU 469 120.070 22.511 12.623 1.00 1.00 ATOM 297 CA TYR 470 123.494 21.582 11.142 1.00 1.00 ATOM 298 CA GLN 471 124.949 20.515 14.504 1.00 1.00 ATOM 299 CA ASN 472 123.008 17.292 13.826 1.00 1.00 ATOM 300 CA ALA 473 122.702 17.320 9.985 1.00 1.00 ATOM 301 CA PHE 474 126.431 17.617 9.288 1.00 1.00 ATOM 302 CA ASN 475 126.778 14.237 11.051 1.00 1.00 ATOM 303 CA THR 476 125.952 12.314 7.877 1.00 1.00 ATOM 304 CA ARG 497 127.628 9.911 5.506 1.00 1.00 ATOM 305 CA LYS 498 126.323 12.106 2.654 1.00 1.00 ATOM 306 CA ILE 499 129.348 14.418 3.028 1.00 1.00 ATOM 307 CA ALA 500 131.940 11.623 2.829 1.00 1.00 ATOM 308 CA SER 501 130.083 10.174 -0.158 1.00 1.00 ATOM 309 CA ALA 502 129.774 13.525 -1.961 1.00 1.00 ATOM 310 CA LEU 503 133.396 14.523 -1.323 1.00 1.00 ATOM 311 CA GLU 504 134.746 11.127 -2.371 1.00 1.00 ATOM 312 CA MET 505 132.775 11.413 -5.639 1.00 1.00 ATOM 313 CA TYR 506 134.192 14.908 -6.233 1.00 1.00 ATOM 314 CA ARG 510 137.739 13.609 -5.683 1.00 1.00 ATOM 315 CA GLN 511 137.160 10.896 -8.304 1.00 1.00 ATOM 316 CA THR 512 135.372 13.312 -10.664 1.00 1.00 ATOM 317 CA ARG 513 132.115 11.349 -10.490 1.00 1.00 ATOM 318 CA PRO 514 128.662 12.925 -10.662 1.00 1.00 ATOM 319 CA ALA 515 125.983 12.962 -7.966 1.00 1.00 ATOM 320 CA LYS 516 123.919 10.356 -9.859 1.00 1.00 ATOM 321 CA LYS 517 126.715 7.786 -9.344 1.00 1.00 ATOM 322 CA HIS 518 126.249 8.002 -5.568 1.00 1.00 ATOM 323 CA GLY 519 123.677 6.095 -3.545 1.00 1.00 ATOM 324 CA ASN 520 122.462 8.194 -0.617 1.00 1.00 ATOM 325 CA PHE 521 120.288 6.522 2.014 1.00 1.00 ATOM 326 CA PRO 522 116.565 7.181 2.344 1.00 1.00 ATOM 327 CA CYS 523 115.270 10.097 4.361 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 15:27:40 2002 Date: Wed, 24 Jul 2002 15:27:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0136 TS samt02.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jul 24 15:00:18 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_127723_13891 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0136TS189_4 Current information on models submitted in prediction T0136TS189 MODEL_INDEX PIN CODE DATE E-mail T0136TS189_4 PIN_127723_13891 5035-2079-5263 07/24/02 15:00:18 casp5@bialko.llnl.gov T0136TS189_3 PIN_720820_13889 5035-2079-5263 07/24/02 14:59:49 casp5@bialko.llnl.gov T0136TS189_1 PIN_723171_13888 5035-2079-5263 07/24/02 14:59:35 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0136 MODEL_INDEX PIN CODE DATE E-mail T0136TS189_1 PIN_723171_13888 5035-2079-5263 07/24/02 14:59:35 casp5@bialko.llnl.gov T0136TS189_3 PIN_720820_13889 5035-2079-5263 07/24/02 14:59:49 casp5@bialko.llnl.gov T0136TS189_4 PIN_127723_13891 5035-2079-5263 07/24/02 15:00:18 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0136 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1NZY_A # Loading PARENT structure: 1nzy (chain: A) # Number of residues in PARENT structure: 269 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue S 339 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue G 340 # IMPORTANT NOTE! Not complete main chain atoms for residue C 341 # IMPORTANT NOTE! Not complete main chain atoms for residue L 342 # IMPORTANT NOTE! Not complete main chain atoms for residue D 343 # IMPORTANT NOTE! Not complete main chain atoms for residue I 344 # IMPORTANT NOTE! Not complete main chain atoms for residue N 345 # IMPORTANT NOTE! Not complete main chain atoms for residue A 346 # IMPORTANT NOTE! Not complete main chain atoms for residue S 347 # IMPORTANT NOTE! Not complete main chain atoms for residue D 348 # IMPORTANT NOTE! Not complete main chain atoms for residue K 349 # IMPORTANT NOTE! Not complete main chain atoms for residue A 350 # IMPORTANT NOTE! Not complete main chain atoms for residue A 351 # IMPORTANT NOTE! Not complete main chain atoms for residue E 352 # IMPORTANT NOTE! Not complete main chain atoms for residue F 353 # IMPORTANT NOTE! Not complete main chain atoms for residue V 354 # IMPORTANT NOTE! Not complete main chain atoms for residue N 355 # IMPORTANT NOTE! Not complete main chain atoms for residue F 356 # IMPORTANT NOTE! Not complete main chain atoms for residue C 357 # IMPORTANT NOTE! Not complete main chain atoms for residue D 358 # IMPORTANT NOTE! Not complete main chain atoms for residue S 359 # IMPORTANT NOTE! Not complete main chain atoms for residue F 360 # IMPORTANT NOTE! Not complete main chain atoms for residue N 361 # IMPORTANT NOTE! Not complete main chain atoms for residue I 362 # IMPORTANT NOTE! Not complete main chain atoms for residue P 363 # IMPORTANT NOTE! Not complete main chain atoms for residue L 364 # IMPORTANT NOTE! Not complete main chain atoms for residue V 365 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 366 # IMPORTANT NOTE! Not complete main chain atoms for residue L 367 # IMPORTANT NOTE! Not complete main chain atoms for residue V 368 # IMPORTANT NOTE! Not complete main chain atoms for residue D 369 # IMPORTANT NOTE! Not complete main chain atoms for residue V 370 # IMPORTANT NOTE! Not complete main chain atoms for residue P 371 # IMPORTANT NOTE! Not complete main chain atoms for residue G 372 # IMPORTANT NOTE! Not complete main chain atoms for residue F 373 # IMPORTANT NOTE! Not complete main chain atoms for residue L 374 # IMPORTANT NOTE! Not complete main chain atoms for residue P 375 # IMPORTANT NOTE! Not complete main chain atoms for residue G 376 # IMPORTANT NOTE! Not complete main chain atoms for residue V 377 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 378 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 379 # IMPORTANT NOTE! Not complete main chain atoms for residue E 380 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 381 # IMPORTANT NOTE! Not complete main chain atoms for residue G 382 # IMPORTANT NOTE! Not complete main chain atoms for residue G 383 # IMPORTANT NOTE! Not complete main chain atoms for residue I 384 # IMPORTANT NOTE! Not complete main chain atoms for residue I 385 # IMPORTANT NOTE! Not complete main chain atoms for residue R 386 # IMPORTANT NOTE! Not complete main chain atoms for residue H 387 # IMPORTANT NOTE! Not complete main chain atoms for residue G 388 # IMPORTANT NOTE! Not complete main chain atoms for residue A 389 # IMPORTANT NOTE! Not complete main chain atoms for residue K 390 # IMPORTANT NOTE! Not complete main chain atoms for residue M 391 # IMPORTANT NOTE! Not complete main chain atoms for residue L 392 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 393 # IMPORTANT NOTE! Not complete main chain atoms for residue A 394 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 395 # IMPORTANT NOTE! Not complete main chain atoms for residue S 396 # IMPORTANT NOTE! Not complete main chain atoms for residue E 397 # IMPORTANT NOTE! Not complete main chain atoms for residue A 398 # IMPORTANT NOTE! Not complete main chain atoms for residue T 399 # IMPORTANT NOTE! Not complete main chain atoms for residue V 400 # IMPORTANT NOTE! Not complete main chain atoms for residue P 401 # IMPORTANT NOTE! Not complete main chain atoms for residue K 402 # IMPORTANT NOTE! Not complete main chain atoms for residue I 403 # IMPORTANT NOTE! Not complete main chain atoms for residue T 404 # IMPORTANT NOTE! Not complete main chain atoms for residue V 405 # IMPORTANT NOTE! Not complete main chain atoms for residue V 406 # IMPORTANT NOTE! Not complete main chain atoms for residue L 407 # IMPORTANT NOTE! Not complete main chain atoms for residue R 408 # IMPORTANT NOTE! Not complete main chain atoms for residue K 409 # IMPORTANT NOTE! Not complete main chain atoms for residue A 410 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 411 # IMPORTANT NOTE! Not complete main chain atoms for residue G 412 # IMPORTANT NOTE! Not complete main chain atoms for residue G 413 # IMPORTANT NOTE! Not complete main chain atoms for residue S 414 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 415 # IMPORTANT NOTE! Not complete main chain atoms for residue L 416 # IMPORTANT NOTE! Not complete main chain atoms for residue A 417 # IMPORTANT NOTE! Not complete main chain atoms for residue M 418 # IMPORTANT NOTE! Not complete main chain atoms for residue C 419 # IMPORTANT NOTE! Not complete main chain atoms for residue D 426 # IMPORTANT NOTE! Not complete main chain atoms for residue A 427 # IMPORTANT NOTE! Not complete main chain atoms for residue V 428 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 429 # IMPORTANT NOTE! Not complete main chain atoms for residue A 430 # IMPORTANT NOTE! Not complete main chain atoms for residue W 431 # IMPORTANT NOTE! Not complete main chain atoms for residue P 432 # IMPORTANT NOTE! Not complete main chain atoms for residue S 433 # IMPORTANT NOTE! Not complete main chain atoms for residue A 434 # IMPORTANT NOTE! Not complete main chain atoms for residue E 435 # IMPORTANT NOTE! Not complete main chain atoms for residue I 436 # IMPORTANT NOTE! Not complete main chain atoms for residue A 437 # IMPORTANT NOTE! Not complete main chain atoms for residue V 438 # IMPORTANT NOTE! Not complete main chain atoms for residue M 439 # IMPORTANT NOTE! Not complete main chain atoms for residue G 440 # IMPORTANT NOTE! Not complete main chain atoms for residue A 441 # IMPORTANT NOTE! Not complete main chain atoms for residue E 442 # IMPORTANT NOTE! Not complete main chain atoms for residue G 443 # IMPORTANT NOTE! Not complete main chain atoms for residue I 448 # IMPORTANT NOTE! Not complete main chain atoms for residue F 449 # IMPORTANT NOTE! Not complete main chain atoms for residue R 450 # IMPORTANT NOTE! Not complete main chain atoms for residue K 451 # IMPORTANT NOTE! Not complete main chain atoms for residue E 452 # IMPORTANT NOTE! Not complete main chain atoms for residue K 454 # IMPORTANT NOTE! Not complete main chain atoms for residue A 455 # IMPORTANT NOTE! Not complete main chain atoms for residue A 456 # IMPORTANT NOTE! Not complete main chain atoms for residue D 457 # IMPORTANT NOTE! Not complete main chain atoms for residue D 458 # IMPORTANT NOTE! Not complete main chain atoms for residue P 459 # IMPORTANT NOTE! Not complete main chain atoms for residue D 460 # IMPORTANT NOTE! Not complete main chain atoms for residue A 461 # IMPORTANT NOTE! Not complete main chain atoms for residue M 462 # IMPORTANT NOTE! Not complete main chain atoms for residue R 463 # IMPORTANT NOTE! Not complete main chain atoms for residue A 464 # IMPORTANT NOTE! Not complete main chain atoms for residue E 465 # IMPORTANT NOTE! Not complete main chain atoms for residue K 466 # IMPORTANT NOTE! Not complete main chain atoms for residue I 467 # IMPORTANT NOTE! Not complete main chain atoms for residue E 468 # IMPORTANT NOTE! Not complete main chain atoms for residue E 469 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 470 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 471 # IMPORTANT NOTE! Not complete main chain atoms for residue N 472 # IMPORTANT NOTE! Not complete main chain atoms for residue A 473 # IMPORTANT NOTE! Not complete main chain atoms for residue F 474 # IMPORTANT NOTE! Not complete main chain atoms for residue N 475 # IMPORTANT NOTE! Not complete main chain atoms for residue T 476 # IMPORTANT NOTE! Not complete main chain atoms for residue P 477 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 478 # IMPORTANT NOTE! Not complete main chain atoms for residue V 479 # IMPORTANT NOTE! Not complete main chain atoms for residue A 480 # IMPORTANT NOTE! Not complete main chain atoms for residue A 481 # IMPORTANT NOTE! Not complete main chain atoms for residue A 482 # IMPORTANT NOTE! Not complete main chain atoms for residue R 483 # IMPORTANT NOTE! Not complete main chain atoms for residue G 484 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 485 # IMPORTANT NOTE! Not complete main chain atoms for residue V 486 # IMPORTANT NOTE! Not complete main chain atoms for residue D 487 # IMPORTANT NOTE! Not complete main chain atoms for residue D 488 # IMPORTANT NOTE! Not complete main chain atoms for residue V 489 # IMPORTANT NOTE! Not complete main chain atoms for residue I 490 # IMPORTANT NOTE! Not complete main chain atoms for residue D 491 # IMPORTANT NOTE! Not complete main chain atoms for residue P 492 # IMPORTANT NOTE! Not complete main chain atoms for residue R 496 # IMPORTANT NOTE! Not complete main chain atoms for residue R 497 # IMPORTANT NOTE! Not complete main chain atoms for residue K 498 # IMPORTANT NOTE! Not complete main chain atoms for residue I 499 # IMPORTANT NOTE! Not complete main chain atoms for residue A 500 # IMPORTANT NOTE! Not complete main chain atoms for residue S 501 # IMPORTANT NOTE! Not complete main chain atoms for residue A 502 # IMPORTANT NOTE! Not complete main chain atoms for residue L 503 # IMPORTANT NOTE! Not complete main chain atoms for residue E 504 # IMPORTANT NOTE! Not complete main chain atoms for residue M 505 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 506 # IMPORTANT NOTE! Not complete main chain atoms for residue A 507 # IMPORTANT NOTE! Not complete main chain atoms for residue T 508 # IMPORTANT NOTE! Not complete main chain atoms for residue K 509 # IMPORTANT NOTE! Not complete main chain atoms for residue R 510 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 511 # IMPORTANT NOTE! Not complete main chain atoms for residue T 512 # IMPORTANT NOTE! Not complete main chain atoms for residue R 513 # IMPORTANT NOTE! Not complete main chain atoms for residue P 514 # IMPORTANT NOTE! Not complete main chain atoms for residue A 515 # IMPORTANT NOTE! Not complete main chain atoms for residue K 516 # IMPORTANT NOTE! Not complete main chain atoms for residue K 517 # IMPORTANT NOTE! Not complete main chain atoms for residue H 518 # IMPORTANT NOTE! Not complete main chain atoms for residue G 519 # IMPORTANT NOTE! Not complete main chain atoms for residue N 520 # IMPORTANT NOTE! Not complete main chain atoms for residue F 521 # IMPORTANT NOTE! Not complete main chain atoms for residue P 522 # IMPORTANT NOTE! Not complete main chain atoms for residue C 523 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0136 # Total number of residues in target: 523 # Total number of residues in model: 171 # Total number of atoms in model: 171 # Number of atoms with 1.0 occupancy: 171 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 171 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0136 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1NZY_A ATOM 24 CA SER 339 24.218 109.019 34.922 1.00 1.00 ATOM 25 CA GLY 340 21.722 106.227 35.135 1.00 1.00 ATOM 26 CA CYS 341 18.799 108.486 35.902 1.00 1.00 ATOM 27 CA LEU 342 15.588 106.229 35.867 1.00 1.00 ATOM 28 CA ASP 343 13.088 106.785 33.064 1.00 1.00 ATOM 29 CA ILE 344 9.415 106.040 33.481 1.00 1.00 ATOM 30 CA ASN 345 9.780 103.100 31.081 1.00 1.00 ATOM 31 CA ALA 346 12.750 101.796 33.017 1.00 1.00 ATOM 32 CA SER 347 11.029 101.940 36.347 1.00 1.00 ATOM 33 CA ASP 348 8.143 99.861 35.029 1.00 1.00 ATOM 34 CA LYS 349 10.643 97.247 33.805 1.00 1.00 ATOM 35 CA ALA 350 12.368 97.104 37.174 1.00 1.00 ATOM 36 CA ALA 351 9.076 96.393 38.892 1.00 1.00 ATOM 37 CA GLU 352 8.225 93.767 36.340 1.00 1.00 ATOM 38 CA PHE 353 11.590 92.200 36.879 1.00 1.00 ATOM 39 CA VAL 354 11.006 92.173 40.564 1.00 1.00 ATOM 40 CA ASN 355 7.668 90.422 40.091 1.00 1.00 ATOM 41 CA PHE 356 9.296 87.890 37.892 1.00 1.00 ATOM 42 CA CYS 357 12.093 87.154 40.316 1.00 1.00 ATOM 43 CA ASP 358 9.680 86.392 43.084 1.00 1.00 ATOM 44 CA SER 359 8.004 83.896 40.799 1.00 1.00 ATOM 45 CA PHE 360 11.227 82.195 39.621 1.00 1.00 ATOM 46 CA ASN 361 12.137 79.132 41.543 1.00 1.00 ATOM 48 CA ILE 362 16.092 82.950 41.736 1.00 1.00 ATOM 49 CA PRO 363 17.230 83.153 45.263 1.00 1.00 ATOM 50 CA LEU 364 18.162 86.871 45.412 1.00 1.00 ATOM 51 CA VAL 365 17.933 90.061 43.488 1.00 1.00 ATOM 52 CA GLN 366 20.753 92.512 42.885 1.00 1.00 ATOM 53 CA LEU 367 20.250 96.044 41.730 1.00 1.00 ATOM 59 CA VAL 368 27.146 105.568 38.346 1.00 1.00 ATOM 60 CA ASP 369 24.526 103.881 40.490 1.00 1.00 ATOM 61 CA VAL 370 21.420 106.030 39.747 1.00 1.00 ATOM 62 CA PRO 371 21.044 109.780 39.467 1.00 1.00 ATOM 63 CA GLY 372 17.347 109.727 40.444 1.00 1.00 ATOM 64 CA PHE 373 14.521 111.326 38.562 1.00 1.00 ATOM 65 CA LEU 374 14.983 111.434 34.838 1.00 1.00 ATOM 73 CA PRO 375 2.988 122.118 27.957 1.00 1.00 ATOM 74 CA GLY 376 2.978 124.438 30.949 1.00 1.00 ATOM 75 CA VAL 377 2.733 123.681 34.568 1.00 1.00 ATOM 76 CA GLN 378 0.035 121.270 33.667 1.00 1.00 ATOM 77 CA GLN 379 2.424 119.313 31.423 1.00 1.00 ATOM 78 CA GLU 380 4.874 119.327 34.226 1.00 1.00 ATOM 79 CA TYR 381 2.352 118.263 36.862 1.00 1.00 ATOM 80 CA GLY 382 1.082 115.555 34.602 1.00 1.00 ATOM 83 CA GLY 383 1.982 112.270 38.567 1.00 1.00 ATOM 85 CA ILE 384 6.463 109.214 37.101 1.00 1.00 ATOM 86 CA ILE 385 5.546 109.368 40.740 1.00 1.00 ATOM 87 CA ARG 386 3.176 106.436 40.425 1.00 1.00 ATOM 88 CA HIS 387 5.787 104.336 38.820 1.00 1.00 ATOM 89 CA GLY 388 8.683 105.364 41.059 1.00 1.00 ATOM 90 CA ALA 389 6.646 104.298 44.136 1.00 1.00 ATOM 91 CA LYS 390 5.215 101.161 42.666 1.00 1.00 ATOM 92 CA MET 391 8.925 100.182 42.199 1.00 1.00 ATOM 93 CA LEU 392 10.113 101.350 45.602 1.00 1.00 ATOM 94 CA TYR 393 7.291 99.567 47.347 1.00 1.00 ATOM 95 CA ALA 394 8.134 96.422 45.294 1.00 1.00 ATOM 96 CA TYR 395 11.687 96.477 46.446 1.00 1.00 ATOM 97 CA SER 396 10.449 96.497 49.994 1.00 1.00 ATOM 98 CA GLU 397 7.664 93.941 49.620 1.00 1.00 ATOM 99 CA ALA 398 9.283 91.499 47.149 1.00 1.00 ATOM 100 CA THR 399 9.579 87.943 48.504 1.00 1.00 ATOM 101 CA VAL 400 13.370 87.848 47.844 1.00 1.00 ATOM 102 CA PRO 401 16.311 89.504 49.582 1.00 1.00 ATOM 103 CA LYS 402 17.428 92.572 47.476 1.00 1.00 ATOM 104 CA ILE 403 21.066 93.717 47.510 1.00 1.00 ATOM 105 CA THR 404 21.849 97.163 46.383 1.00 1.00 ATOM 106 CA VAL 405 25.312 97.072 44.755 1.00 1.00 ATOM 107 CA VAL 406 26.075 100.813 44.770 1.00 1.00 ATOM 108 CA LEU 407 28.862 101.153 42.184 1.00 1.00 ATOM 109 CA ARG 408 28.758 104.980 41.986 1.00 1.00 ATOM 110 CA LYS 409 26.691 107.978 42.747 1.00 1.00 ATOM 111 CA ALA 410 23.213 107.498 44.158 1.00 1.00 ATOM 112 CA TYR 411 21.179 110.659 44.175 1.00 1.00 ATOM 113 CA GLY 412 17.526 111.395 44.963 1.00 1.00 ATOM 114 CA GLY 413 15.472 108.432 43.817 1.00 1.00 ATOM 115 CA SER 414 18.850 106.590 43.417 1.00 1.00 ATOM 116 CA TYR 415 19.465 106.995 47.134 1.00 1.00 ATOM 117 CA LEU 416 15.768 105.974 47.714 1.00 1.00 ATOM 120 CA ALA 417 17.646 102.670 51.177 1.00 1.00 ATOM 121 CA MET 418 14.635 100.477 50.175 1.00 1.00 ATOM 122 CA CYS 419 16.908 97.456 49.497 1.00 1.00 ATOM 123 CA ASP 426 17.519 94.831 52.139 1.00 1.00 ATOM 124 CA ALA 427 21.323 94.979 52.011 1.00 1.00 ATOM 125 CA VAL 428 23.695 97.520 50.657 1.00 1.00 ATOM 126 CA TYR 429 27.395 97.613 49.853 1.00 1.00 ATOM 127 CA ALA 430 29.254 100.188 47.688 1.00 1.00 ATOM 128 CA TRP 431 32.449 100.930 45.862 1.00 1.00 ATOM 129 CA PRO 432 34.913 103.352 47.287 1.00 1.00 ATOM 130 CA SER 433 34.088 105.717 44.478 1.00 1.00 ATOM 131 CA ALA 434 30.324 105.783 45.333 1.00 1.00 ATOM 132 CA GLU 435 28.581 108.752 46.897 1.00 1.00 ATOM 133 CA ILE 436 25.150 109.641 48.228 1.00 1.00 ATOM 134 CA ALA 437 23.152 112.778 48.032 1.00 1.00 ATOM 135 CA VAL 438 19.478 113.756 48.638 1.00 1.00 ATOM 136 CA MET 439 19.447 116.327 45.799 1.00 1.00 ATOM 137 CA GLY 440 15.594 116.903 46.022 1.00 1.00 ATOM 138 CA ALA 441 15.993 120.363 47.369 1.00 1.00 ATOM 139 CA GLU 442 18.493 121.426 44.882 1.00 1.00 ATOM 140 CA GLY 443 16.273 120.561 42.113 1.00 1.00 ATOM 141 CA ILE 448 13.397 122.217 44.019 1.00 1.00 ATOM 142 CA PHE 449 11.224 119.060 44.621 1.00 1.00 ATOM 143 CA ARG 450 9.676 117.740 47.871 1.00 1.00 ATOM 144 CA LYS 451 11.394 114.488 48.936 1.00 1.00 ATOM 145 CA GLU 452 9.919 111.113 48.185 1.00 1.00 ATOM 148 CA LYS 454 12.864 108.585 52.224 1.00 1.00 ATOM 149 CA ALA 455 10.319 109.494 54.871 1.00 1.00 ATOM 150 CA ALA 456 10.072 105.787 55.575 1.00 1.00 ATOM 151 CA ASP 457 13.538 104.323 55.052 1.00 1.00 ATOM 152 CA ASP 458 16.147 106.924 55.965 1.00 1.00 ATOM 153 CA PRO 459 15.453 107.346 59.534 1.00 1.00 ATOM 154 CA ASP 460 14.781 103.642 59.973 1.00 1.00 ATOM 155 CA ALA 461 18.408 103.115 58.938 1.00 1.00 ATOM 156 CA MET 462 20.303 106.218 60.274 1.00 1.00 ATOM 157 CA ARG 463 18.054 107.597 62.986 1.00 1.00 ATOM 158 CA ALA 464 15.976 110.783 62.779 1.00 1.00 ATOM 159 CA GLU 465 18.746 113.307 63.408 1.00 1.00 ATOM 160 CA LYS 466 21.031 112.115 60.651 1.00 1.00 ATOM 161 CA ILE 467 18.115 111.651 58.374 1.00 1.00 ATOM 162 CA GLU 468 17.007 115.297 58.930 1.00 1.00 ATOM 163 CA GLU 469 20.545 116.485 58.547 1.00 1.00 ATOM 164 CA TYR 470 21.233 114.843 55.276 1.00 1.00 ATOM 167 CA GLN 471 22.017 120.161 54.223 1.00 1.00 ATOM 168 CA ASN 472 21.931 118.377 50.922 1.00 1.00 ATOM 169 CA ALA 473 25.588 117.603 51.343 1.00 1.00 ATOM 170 CA PHE 474 27.316 114.656 49.729 1.00 1.00 ATOM 171 CA ASN 475 27.920 111.667 51.997 1.00 1.00 ATOM 172 CA THR 476 31.073 109.655 51.146 1.00 1.00 ATOM 173 CA PRO 477 31.602 105.946 51.673 1.00 1.00 ATOM 174 CA TYR 478 33.357 106.019 54.988 1.00 1.00 ATOM 175 CA VAL 479 30.686 108.119 56.535 1.00 1.00 ATOM 176 CA ALA 480 27.934 106.110 54.872 1.00 1.00 ATOM 177 CA ALA 481 29.317 103.001 56.464 1.00 1.00 ATOM 178 CA ALA 482 29.696 104.673 59.780 1.00 1.00 ATOM 179 CA ARG 483 26.023 105.725 59.534 1.00 1.00 ATOM 180 CA GLY 484 24.782 102.221 58.727 1.00 1.00 ATOM 181 CA GLN 485 23.779 103.289 55.175 1.00 1.00 ATOM 182 CA VAL 486 26.138 100.655 53.672 1.00 1.00 ATOM 183 CA ASP 487 27.515 97.608 55.410 1.00 1.00 ATOM 184 CA ASP 488 30.891 97.566 53.603 1.00 1.00 ATOM 185 CA VAL 489 32.937 99.497 51.023 1.00 1.00 ATOM 186 CA ILE 490 35.159 97.948 48.349 1.00 1.00 ATOM 187 CA ASP 491 37.736 99.195 46.012 1.00 1.00 ATOM 188 CA PRO 492 36.225 100.227 42.849 1.00 1.00 ATOM 199 CA ARG 496 24.725 88.107 45.792 1.00 1.00 ATOM 200 CA ARG 497 25.343 84.444 44.977 1.00 1.00 ATOM 201 CA LYS 498 25.712 83.581 48.664 1.00 1.00 ATOM 202 CA ILE 499 22.533 85.477 49.486 1.00 1.00 ATOM 203 CA ALA 500 20.825 83.596 46.680 1.00 1.00 ATOM 204 CA SER 501 22.056 80.250 47.965 1.00 1.00 ATOM 248 CA ALA 502 20.186 71.157 59.614 1.00 1.00 ATOM 249 CA LEU 503 19.240 69.852 63.017 1.00 1.00 ATOM 250 CA GLU 504 20.909 66.600 62.094 1.00 1.00 ATOM 251 CA MET 505 24.159 68.345 61.125 1.00 1.00 ATOM 252 CA TYR 506 24.133 70.312 64.249 1.00 1.00 ATOM 253 CA ALA 507 23.629 67.274 66.369 1.00 1.00 ATOM 254 CA THR 508 26.471 65.835 64.417 1.00 1.00 ATOM 255 CA LYS 509 28.768 68.696 65.514 1.00 1.00 ATOM 256 CA ARG 510 28.278 71.343 62.784 1.00 1.00 ATOM 257 CA GLN 511 28.057 74.774 64.492 1.00 1.00 ATOM 258 CA THR 512 25.239 77.170 63.755 1.00 1.00 ATOM 259 CA ARG 513 27.714 80.032 63.660 1.00 1.00 ATOM 260 CA PRO 514 28.611 79.035 60.208 1.00 1.00 ATOM 261 CA ALA 515 27.981 82.054 57.974 1.00 1.00 ATOM 262 CA LYS 516 25.325 82.171 55.280 1.00 1.00 ATOM 263 CA LYS 517 27.005 85.155 53.650 1.00 1.00 ATOM 264 CA HIS 518 30.636 86.157 53.832 1.00 1.00 ATOM 265 CA GLY 519 31.232 89.874 53.653 1.00 1.00 ATOM 266 CA ASN 520 34.870 90.560 52.924 1.00 1.00 ATOM 267 CA PHE 521 36.372 93.262 55.091 1.00 1.00 ATOM 268 CA PRO 522 36.673 95.738 52.216 1.00 1.00 ATOM 269 CA CYS 523 38.110 99.220 52.961 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 15:28:08 2002 Date: Wed, 24 Jul 2002 15:28:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0136 TS samt02.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jul 24 15:00:33 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_134986_13892 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0136TS189_5 Current information on models submitted in prediction T0136TS189 MODEL_INDEX PIN CODE DATE E-mail T0136TS189_5 PIN_134986_13892 5035-2079-5263 07/24/02 15:00:33 casp5@bialko.llnl.gov T0136TS189_4 PIN_127723_13891 5035-2079-5263 07/24/02 15:00:18 casp5@bialko.llnl.gov T0136TS189_3 PIN_720820_13889 5035-2079-5263 07/24/02 14:59:49 casp5@bialko.llnl.gov T0136TS189_1 PIN_723171_13888 5035-2079-5263 07/24/02 14:59:35 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0136 MODEL_INDEX PIN CODE DATE E-mail T0136TS189_1 PIN_723171_13888 5035-2079-5263 07/24/02 14:59:35 casp5@bialko.llnl.gov T0136TS189_3 PIN_720820_13889 5035-2079-5263 07/24/02 14:59:49 casp5@bialko.llnl.gov T0136TS189_4 PIN_127723_13891 5035-2079-5263 07/24/02 15:00:18 casp5@bialko.llnl.gov T0136TS189_5 PIN_134986_13892 5035-2079-5263 07/24/02 15:00:33 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0136 AUTHOR 5035-2079-5263 # Reading MODEL 5 PARENT 1EUD_A # Loading PARENT structure: 1eud (chain: A) # Number of residues in PARENT structure: 305 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 38 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue H 39 # IMPORTANT NOTE! Not complete main chain atoms for residue S 40 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 41 # IMPORTANT NOTE! Not complete main chain atoms for residue R 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue R 49 # IMPORTANT NOTE! Not complete main chain atoms for residue L 50 # IMPORTANT NOTE! Not complete main chain atoms for residue N 51 # IMPORTANT NOTE! Not complete main chain atoms for residue N 52 # IMPORTANT NOTE! Not complete main chain atoms for residue L 53 # IMPORTANT NOTE! Not complete main chain atoms for residue L 54 # IMPORTANT NOTE! Not complete main chain atoms for residue D 55 # IMPORTANT NOTE! Not complete main chain atoms for residue P 56 # IMPORTANT NOTE! Not complete main chain atoms for residue H 57 # IMPORTANT NOTE! Not complete main chain atoms for residue S 58 # IMPORTANT NOTE! Not complete main chain atoms for residue F 59 # IMPORTANT NOTE! Not complete main chain atoms for residue D 60 # IMPORTANT NOTE! Not complete main chain atoms for residue E 61 # IMPORTANT NOTE! Not complete main chain atoms for residue V 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue T 71 # IMPORTANT NOTE! Not complete main chain atoms for residue L 72 # IMPORTANT NOTE! Not complete main chain atoms for residue F 73 # IMPORTANT NOTE! Not complete main chain atoms for residue G 74 # IMPORTANT NOTE! Not complete main chain atoms for residue M 75 # IMPORTANT NOTE! Not complete main chain atoms for residue D 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue A 78 # IMPORTANT NOTE! Not complete main chain atoms for residue V 79 # IMPORTANT NOTE! Not complete main chain atoms for residue V 80 # IMPORTANT NOTE! Not complete main chain atoms for residue P 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue D 83 # IMPORTANT NOTE! Not complete main chain atoms for residue G 84 # IMPORTANT NOTE! Not complete main chain atoms for residue V 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 115 # IMPORTANT NOTE! Not complete main chain atoms for residue S 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue K 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue V 120 # IMPORTANT NOTE! Not complete main chain atoms for residue E 121 # IMPORTANT NOTE! Not complete main chain atoms for residue T 122 # IMPORTANT NOTE! Not complete main chain atoms for residue M 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 125 # IMPORTANT NOTE! Not complete main chain atoms for residue A 126 # IMPORTANT NOTE! Not complete main chain atoms for residue L 127 # IMPORTANT NOTE! Not complete main chain atoms for residue L 128 # IMPORTANT NOTE! Not complete main chain atoms for residue T 129 # IMPORTANT NOTE! Not complete main chain atoms for residue G 130 # IMPORTANT NOTE! Not complete main chain atoms for residue T 131 # IMPORTANT NOTE! Not complete main chain atoms for residue P 132 # IMPORTANT NOTE! Not complete main chain atoms for residue F 133 # IMPORTANT NOTE! Not complete main chain atoms for residue L 134 # IMPORTANT NOTE! Not complete main chain atoms for residue F 135 # IMPORTANT NOTE! Not complete main chain atoms for residue F 136 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue S 139 # IMPORTANT NOTE! Not complete main chain atoms for residue G 140 # IMPORTANT NOTE! Not complete main chain atoms for residue S 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 154 # IMPORTANT NOTE! Not complete main chain atoms for residue G 155 # IMPORTANT NOTE! Not complete main chain atoms for residue K 156 # IMPORTANT NOTE! Not complete main chain atoms for residue M 157 # IMPORTANT NOTE! Not complete main chain atoms for residue F 158 # IMPORTANT NOTE! Not complete main chain atoms for residue F 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue N 161 # IMPORTANT NOTE! Not complete main chain atoms for residue V 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue G 166 # IMPORTANT NOTE! Not complete main chain atoms for residue V 167 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 170 # IMPORTANT NOTE! Not complete main chain atoms for residue I 174 # IMPORTANT NOTE! Not complete main chain atoms for residue A 175 # IMPORTANT NOTE! Not complete main chain atoms for residue G 176 # IMPORTANT NOTE! Not complete main chain atoms for residue P 177 # IMPORTANT NOTE! Not complete main chain atoms for residue C 178 # IMPORTANT NOTE! Not complete main chain atoms for residue A 179 # IMPORTANT NOTE! Not complete main chain atoms for residue D 190 # IMPORTANT NOTE! Not complete main chain atoms for residue F 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue I 193 # IMPORTANT NOTE! Not complete main chain atoms for residue M 194 # IMPORTANT NOTE! Not complete main chain atoms for residue T 195 # IMPORTANT NOTE! Not complete main chain atoms for residue K 196 # IMPORTANT NOTE! Not complete main chain atoms for residue K 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue H 199 # IMPORTANT NOTE! Not complete main chain atoms for residue M 200 # IMPORTANT NOTE! Not complete main chain atoms for residue F 201 # IMPORTANT NOTE! Not complete main chain atoms for residue I 202 # IMPORTANT NOTE! Not complete main chain atoms for residue T 203 # IMPORTANT NOTE! Not complete main chain atoms for residue G 204 # IMPORTANT NOTE! Not complete main chain atoms for residue A 226 # IMPORTANT NOTE! Not complete main chain atoms for residue H 227 # IMPORTANT NOTE! Not complete main chain atoms for residue M 228 # IMPORTANT NOTE! Not complete main chain atoms for residue A 229 # IMPORTANT NOTE! Not complete main chain atoms for residue I 230 # IMPORTANT NOTE! Not complete main chain atoms for residue S 231 # IMPORTANT NOTE! Not complete main chain atoms for residue G 232 # IMPORTANT NOTE! Not complete main chain atoms for residue N 233 # IMPORTANT NOTE! Not complete main chain atoms for residue I 234 # IMPORTANT NOTE! Not complete main chain atoms for residue H 235 # IMPORTANT NOTE! Not complete main chain atoms for residue F 236 # IMPORTANT NOTE! Not complete main chain atoms for residue V 237 # IMPORTANT NOTE! Not complete main chain atoms for residue A 238 # IMPORTANT NOTE! Not complete main chain atoms for residue E 239 # IMPORTANT NOTE! Not complete main chain atoms for residue D 240 # IMPORTANT NOTE! Not complete main chain atoms for residue D 241 # IMPORTANT NOTE! Not complete main chain atoms for residue D 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue A 244 # IMPORTANT NOTE! Not complete main chain atoms for residue E 245 # IMPORTANT NOTE! Not complete main chain atoms for residue L 246 # IMPORTANT NOTE! Not complete main chain atoms for residue I 247 # IMPORTANT NOTE! Not complete main chain atoms for residue A 248 # IMPORTANT NOTE! Not complete main chain atoms for residue K 249 # IMPORTANT NOTE! Not complete main chain atoms for residue K 250 # IMPORTANT NOTE! Not complete main chain atoms for residue L 251 # IMPORTANT NOTE! Not complete main chain atoms for residue L 252 # IMPORTANT NOTE! Not complete main chain atoms for residue S 253 # IMPORTANT NOTE! Not complete main chain atoms for residue F 254 # IMPORTANT NOTE! Not complete main chain atoms for residue L 255 # IMPORTANT NOTE! Not complete main chain atoms for residue P 256 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 257 # IMPORTANT NOTE! Not complete main chain atoms for residue E 261 # IMPORTANT NOTE! Not complete main chain atoms for residue I 281 # IMPORTANT NOTE! Not complete main chain atoms for residue V 282 # IMPORTANT NOTE! Not complete main chain atoms for residue P 283 # IMPORTANT NOTE! Not complete main chain atoms for residue I 284 # IMPORTANT NOTE! Not complete main chain atoms for residue D 285 # IMPORTANT NOTE! Not complete main chain atoms for residue G 286 # IMPORTANT NOTE! Not complete main chain atoms for residue K 287 # IMPORTANT NOTE! Not complete main chain atoms for residue K 288 # IMPORTANT NOTE! Not complete main chain atoms for residue G 289 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 290 # IMPORTANT NOTE! Not complete main chain atoms for residue D 291 # IMPORTANT NOTE! Not complete main chain atoms for residue V 292 # IMPORTANT NOTE! Not complete main chain atoms for residue R 293 # IMPORTANT NOTE! Not complete main chain atoms for residue D 294 # IMPORTANT NOTE! Not complete main chain atoms for residue V 295 # IMPORTANT NOTE! Not complete main chain atoms for residue I 296 # IMPORTANT NOTE! Not complete main chain atoms for residue A 297 # IMPORTANT NOTE! Not complete main chain atoms for residue K 298 # IMPORTANT NOTE! Not complete main chain atoms for residue I 299 # IMPORTANT NOTE! Not complete main chain atoms for residue V 300 # IMPORTANT NOTE! Not complete main chain atoms for residue D 301 # IMPORTANT NOTE! Not complete main chain atoms for residue W 302 # IMPORTANT NOTE! Not complete main chain atoms for residue G 303 # IMPORTANT NOTE! Not complete main chain atoms for residue D 304 # IMPORTANT NOTE! Not complete main chain atoms for residue T 314 # IMPORTANT NOTE! Not complete main chain atoms for residue N 315 # IMPORTANT NOTE! Not complete main chain atoms for residue L 316 # IMPORTANT NOTE! Not complete main chain atoms for residue V 317 # IMPORTANT NOTE! Not complete main chain atoms for residue T 318 # IMPORTANT NOTE! Not complete main chain atoms for residue A 319 # IMPORTANT NOTE! Not complete main chain atoms for residue S 339 # IMPORTANT NOTE! Not complete main chain atoms for residue G 340 # IMPORTANT NOTE! Not complete main chain atoms for residue C 341 # IMPORTANT NOTE! Not complete main chain atoms for residue L 342 # IMPORTANT NOTE! Not complete main chain atoms for residue D 343 # IMPORTANT NOTE! Not complete main chain atoms for residue I 344 # IMPORTANT NOTE! Not complete main chain atoms for residue N 345 # IMPORTANT NOTE! Not complete main chain atoms for residue A 346 # IMPORTANT NOTE! Not complete main chain atoms for residue S 347 # IMPORTANT NOTE! Not complete main chain atoms for residue D 348 # IMPORTANT NOTE! Not complete main chain atoms for residue K 349 # IMPORTANT NOTE! Not complete main chain atoms for residue A 350 # IMPORTANT NOTE! Not complete main chain atoms for residue A 351 # IMPORTANT NOTE! Not complete main chain atoms for residue E 352 # IMPORTANT NOTE! Not complete main chain atoms for residue F 353 # IMPORTANT NOTE! Not complete main chain atoms for residue V 354 # IMPORTANT NOTE! Not complete main chain atoms for residue N 355 # IMPORTANT NOTE! Not complete main chain atoms for residue F 356 # IMPORTANT NOTE! Not complete main chain atoms for residue C 357 # IMPORTANT NOTE! Not complete main chain atoms for residue D 358 # IMPORTANT NOTE! Not complete main chain atoms for residue S 359 # IMPORTANT NOTE! Not complete main chain atoms for residue F 360 # IMPORTANT NOTE! Not complete main chain atoms for residue N 361 # IMPORTANT NOTE! Not complete main chain atoms for residue I 362 # IMPORTANT NOTE! Not complete main chain atoms for residue P 363 # IMPORTANT NOTE! Not complete main chain atoms for residue L 364 # IMPORTANT NOTE! Not complete main chain atoms for residue V 365 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 366 # IMPORTANT NOTE! Not complete main chain atoms for residue L 367 # IMPORTANT NOTE! Not complete main chain atoms for residue V 368 # IMPORTANT NOTE! Not complete main chain atoms for residue D 369 # IMPORTANT NOTE! Not complete main chain atoms for residue V 370 # IMPORTANT NOTE! Not complete main chain atoms for residue P 371 # IMPORTANT NOTE! Not complete main chain atoms for residue G 372 # IMPORTANT NOTE! Not complete main chain atoms for residue F 373 # IMPORTANT NOTE! Not complete main chain atoms for residue L 374 # IMPORTANT NOTE! Not complete main chain atoms for residue P 375 # IMPORTANT NOTE! Not complete main chain atoms for residue G 376 # IMPORTANT NOTE! Not complete main chain atoms for residue V 377 # IMPORTANT NOTE! Not complete main chain atoms for residue R 408 # IMPORTANT NOTE! Not complete main chain atoms for residue K 409 # IMPORTANT NOTE! Not complete main chain atoms for residue A 410 # IMPORTANT NOTE! Not complete main chain atoms for residue G 412 # IMPORTANT NOTE! Not complete main chain atoms for residue G 413 # IMPORTANT NOTE! Not complete main chain atoms for residue S 414 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 415 # IMPORTANT NOTE! Not complete main chain atoms for residue L 416 # IMPORTANT NOTE! Not complete main chain atoms for residue A 417 # IMPORTANT NOTE! Not complete main chain atoms for residue M 418 # IMPORTANT NOTE! Not complete main chain atoms for residue C 419 # IMPORTANT NOTE! Not complete main chain atoms for residue N 420 # IMPORTANT NOTE! Not complete main chain atoms for residue R 421 # IMPORTANT NOTE! Not complete main chain atoms for residue D 422 # IMPORTANT NOTE! Not complete main chain atoms for residue A 455 # IMPORTANT NOTE! Not complete main chain atoms for residue A 456 # IMPORTANT NOTE! Not complete main chain atoms for residue D 457 # IMPORTANT NOTE! Not complete main chain atoms for residue T 476 # IMPORTANT NOTE! Not complete main chain atoms for residue P 477 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 478 # IMPORTANT NOTE! Not complete main chain atoms for residue V 479 # IMPORTANT NOTE! Not complete main chain atoms for residue A 480 # IMPORTANT NOTE! Not complete main chain atoms for residue A 481 # IMPORTANT NOTE! Not complete main chain atoms for residue A 482 # IMPORTANT NOTE! Not complete main chain atoms for residue R 483 # IMPORTANT NOTE! Not complete main chain atoms for residue G 484 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 485 # IMPORTANT NOTE! Not complete main chain atoms for residue V 486 # IMPORTANT NOTE! Not complete main chain atoms for residue D 487 # IMPORTANT NOTE! Not complete main chain atoms for residue V 489 # IMPORTANT NOTE! Not complete main chain atoms for residue I 490 # IMPORTANT NOTE! Not complete main chain atoms for residue D 491 # IMPORTANT NOTE! Not complete main chain atoms for residue P 492 # IMPORTANT NOTE! Not complete main chain atoms for residue A 493 # IMPORTANT NOTE! Not complete main chain atoms for residue D 494 # IMPORTANT NOTE! Not complete main chain atoms for residue T 495 # IMPORTANT NOTE! Not complete main chain atoms for residue R 496 # IMPORTANT NOTE! Not complete main chain atoms for residue R 497 # IMPORTANT NOTE! Not complete main chain atoms for residue K 498 # IMPORTANT NOTE! Not complete main chain atoms for residue I 499 # IMPORTANT NOTE! Not complete main chain atoms for residue A 500 # IMPORTANT NOTE! Not complete main chain atoms for residue S 501 # IMPORTANT NOTE! Not complete main chain atoms for residue A 502 # IMPORTANT NOTE! Not complete main chain atoms for residue L 503 # IMPORTANT NOTE! Not complete main chain atoms for residue E 504 # IMPORTANT NOTE! Not complete main chain atoms for residue M 505 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 506 # IMPORTANT NOTE! Not complete main chain atoms for residue A 507 # IMPORTANT NOTE! Not complete main chain atoms for residue T 508 # IMPORTANT NOTE! Not complete main chain atoms for residue K 509 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0136 # Total number of residues in target: 523 # Total number of residues in model: 257 # Total number of atoms in model: 257 # Number of atoms with 1.0 occupancy: 257 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 257 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0136 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 5 PARENT 1EUD_A ATOM 1 CA GLN 38 25.088 18.000 1.303 1.00 1.00 ATOM 2 CA HIS 39 24.107 14.438 0.250 1.00 1.00 ATOM 3 CA SER 40 23.757 12.012 3.186 1.00 1.00 ATOM 4 CA GLN 41 26.043 9.408 1.526 1.00 1.00 ATOM 5 CA ARG 47 28.732 12.004 1.948 1.00 1.00 ATOM 6 CA GLU 48 28.764 11.384 5.690 1.00 1.00 ATOM 7 CA ARG 49 29.616 7.687 5.306 1.00 1.00 ATOM 8 CA LEU 50 33.203 8.414 6.106 1.00 1.00 ATOM 9 CA ASN 51 32.425 9.537 9.692 1.00 1.00 ATOM 10 CA ASN 52 31.647 5.907 10.399 1.00 1.00 ATOM 11 CA LEU 53 35.374 5.166 10.710 1.00 1.00 ATOM 12 CA LEU 54 36.134 6.097 14.326 1.00 1.00 ATOM 13 CA ASP 55 39.670 5.995 15.575 1.00 1.00 ATOM 14 CA PRO 56 42.037 7.029 18.298 1.00 1.00 ATOM 15 CA HIS 57 41.443 10.656 17.451 1.00 1.00 ATOM 16 CA SER 58 37.689 10.529 17.708 1.00 1.00 ATOM 17 CA PHE 59 36.429 12.661 20.659 1.00 1.00 ATOM 18 CA ASP 60 33.125 11.650 22.136 1.00 1.00 ATOM 19 CA GLU 61 30.324 13.166 24.147 1.00 1.00 ATOM 20 CA VAL 62 27.475 11.184 25.732 1.00 1.00 ATOM 21 CA GLY 63 23.847 12.346 25.572 1.00 1.00 ATOM 63 CA THR 71 23.058 21.272 25.085 1.00 1.00 ATOM 64 CA LEU 72 24.956 19.278 22.432 1.00 1.00 ATOM 65 CA PHE 73 25.950 22.551 20.788 1.00 1.00 ATOM 66 CA GLY 74 27.657 23.883 23.927 1.00 1.00 ATOM 67 CA MET 75 29.303 20.491 24.469 1.00 1.00 ATOM 68 CA ASP 76 30.641 20.364 20.956 1.00 1.00 ATOM 69 CA LYS 77 31.917 23.960 21.125 1.00 1.00 ATOM 70 CA ALA 78 33.651 23.376 24.447 1.00 1.00 ATOM 71 CA VAL 79 35.216 20.007 23.757 1.00 1.00 ATOM 72 CA VAL 80 35.521 19.731 20.062 1.00 1.00 ATOM 73 CA PRO 81 33.753 16.336 20.102 1.00 1.00 ATOM 74 CA ALA 82 33.301 14.794 16.680 1.00 1.00 ATOM 75 CA ASP 83 31.004 12.033 17.909 1.00 1.00 ATOM 76 CA GLY 84 28.019 11.672 20.168 1.00 1.00 ATOM 77 CA VAL 85 26.587 8.528 21.696 1.00 1.00 ATOM 78 CA VAL 86 22.963 8.560 22.797 1.00 1.00 ATOM 79 CA THR 87 21.548 6.607 25.787 1.00 1.00 ATOM 80 CA GLY 88 18.472 8.740 26.320 1.00 1.00 ATOM 81 CA GLN 115 15.109 6.954 27.117 1.00 1.00 ATOM 82 CA SER 116 12.688 6.370 24.159 1.00 1.00 ATOM 83 CA THR 117 10.304 9.246 24.843 1.00 1.00 ATOM 84 CA LYS 118 13.157 11.768 24.360 1.00 1.00 ATOM 85 CA VAL 119 15.512 9.896 22.048 1.00 1.00 ATOM 86 CA VAL 120 14.297 11.384 18.803 1.00 1.00 ATOM 87 CA GLU 121 14.687 14.943 20.197 1.00 1.00 ATOM 88 CA THR 122 18.232 13.924 21.258 1.00 1.00 ATOM 89 CA MET 123 19.147 12.709 17.748 1.00 1.00 ATOM 90 CA GLU 124 17.627 15.846 16.200 1.00 1.00 ATOM 91 CA GLN 125 19.565 18.022 18.619 1.00 1.00 ATOM 92 CA ALA 126 22.793 16.299 17.505 1.00 1.00 ATOM 93 CA LEU 127 21.930 16.697 13.826 1.00 1.00 ATOM 94 CA LEU 128 21.139 20.437 14.396 1.00 1.00 ATOM 95 CA THR 129 24.584 20.711 16.048 1.00 1.00 ATOM 96 CA GLY 130 26.209 19.043 13.049 1.00 1.00 ATOM 97 CA THR 131 27.960 16.401 15.104 1.00 1.00 ATOM 98 CA PRO 132 29.861 14.306 12.412 1.00 1.00 ATOM 99 CA PHE 133 28.861 10.963 13.967 1.00 1.00 ATOM 100 CA LEU 134 25.882 10.118 16.158 1.00 1.00 ATOM 101 CA PHE 135 25.518 6.644 17.600 1.00 1.00 ATOM 102 CA PHE 136 22.017 6.139 19.064 1.00 1.00 ATOM 103 CA TYR 137 22.035 3.126 21.382 1.00 1.00 ATOM 104 CA ASP 138 18.483 3.459 22.623 1.00 1.00 ATOM 105 CA SER 139 16.052 0.667 21.932 1.00 1.00 ATOM 106 CA GLY 140 12.302 1.287 21.855 1.00 1.00 ATOM 108 CA SER 152 8.685 4.714 18.048 1.00 1.00 ATOM 109 CA GLY 153 8.890 3.937 14.367 1.00 1.00 ATOM 110 CA TYR 154 6.986 7.076 13.579 1.00 1.00 ATOM 111 CA GLY 155 9.648 9.106 15.447 1.00 1.00 ATOM 112 CA LYS 156 12.435 7.454 13.368 1.00 1.00 ATOM 113 CA MET 157 10.637 8.053 10.102 1.00 1.00 ATOM 114 CA PHE 158 10.620 11.790 10.958 1.00 1.00 ATOM 115 CA PHE 159 14.303 11.654 12.000 1.00 1.00 ATOM 116 CA ALA 160 15.337 9.888 8.845 1.00 1.00 ATOM 117 CA ASN 161 13.507 12.511 6.811 1.00 1.00 ATOM 118 CA VAL 162 15.800 15.239 8.269 1.00 1.00 ATOM 119 CA LYS 163 18.795 12.955 8.048 1.00 1.00 ATOM 120 CA LEU 164 18.556 12.308 4.327 1.00 1.00 ATOM 121 CA SER 165 18.520 15.977 3.497 1.00 1.00 ATOM 122 CA GLY 166 21.763 16.910 5.155 1.00 1.00 ATOM 123 CA VAL 167 25.296 15.645 4.751 1.00 1.00 ATOM 124 CA VAL 168 27.177 16.648 7.837 1.00 1.00 ATOM 125 CA PRO 169 25.858 14.149 10.361 1.00 1.00 ATOM 126 CA GLN 170 26.057 10.399 10.037 1.00 1.00 ATOM 127 CA ILE 174 23.718 8.406 12.328 1.00 1.00 ATOM 128 CA ALA 175 24.221 4.750 13.315 1.00 1.00 ATOM 129 CA GLY 176 21.262 3.140 15.012 1.00 1.00 ATOM 130 CA PRO 177 18.889 3.338 16.811 1.00 1.00 ATOM 131 CA CYS 178 18.747 0.124 18.804 1.00 1.00 ATOM 132 CA ALA 179 22.362 -0.795 17.918 1.00 1.00 ATOM 133 CA ASP 190 25.394 -1.747 19.984 1.00 1.00 ATOM 134 CA PHE 191 27.645 0.949 18.460 1.00 1.00 ATOM 135 CA ILE 192 30.967 0.921 16.675 1.00 1.00 ATOM 136 CA ILE 193 34.426 -0.154 17.672 1.00 1.00 ATOM 137 CA MET 194 37.924 0.239 16.175 1.00 1.00 ATOM 138 CA THR 195 39.849 -2.319 18.404 1.00 1.00 ATOM 139 CA LYS 196 42.473 -0.668 20.563 1.00 1.00 ATOM 140 CA LYS 197 41.592 2.858 19.399 1.00 1.00 ATOM 141 CA ALA 198 37.978 3.778 19.991 1.00 1.00 ATOM 142 CA HIS 199 34.943 2.128 21.531 1.00 1.00 ATOM 143 CA MET 200 31.536 3.798 21.224 1.00 1.00 ATOM 144 CA PHE 201 28.805 1.716 22.565 1.00 1.00 ATOM 145 CA ILE 202 28.032 -1.316 24.595 1.00 1.00 ATOM 146 CA THR 203 30.062 -4.210 23.238 1.00 1.00 ATOM 147 CA GLY 204 32.521 -6.069 25.462 1.00 1.00 ATOM 148 CA ALA 226 35.897 -4.640 24.678 1.00 1.00 ATOM 149 CA HIS 227 37.976 -7.658 25.590 1.00 1.00 ATOM 150 CA MET 228 36.935 -10.007 22.834 1.00 1.00 ATOM 151 CA ALA 229 38.228 -7.633 20.110 1.00 1.00 ATOM 152 CA ILE 230 41.676 -7.648 18.552 1.00 1.00 ATOM 153 CA SER 231 42.948 -5.117 16.027 1.00 1.00 ATOM 154 CA GLY 232 43.170 -6.893 12.662 1.00 1.00 ATOM 155 CA ASN 233 41.854 -7.478 9.197 1.00 1.00 ATOM 156 CA ILE 234 38.203 -8.237 9.168 1.00 1.00 ATOM 157 CA HIS 235 35.533 -5.545 8.839 1.00 1.00 ATOM 158 CA PHE 236 32.242 -6.582 10.450 1.00 1.00 ATOM 159 CA VAL 237 28.792 -5.097 9.979 1.00 1.00 ATOM 160 CA ALA 238 25.744 -6.518 11.646 1.00 1.00 ATOM 161 CA GLU 239 22.033 -5.932 12.279 1.00 1.00 ATOM 162 CA ASP 240 22.286 -7.608 15.669 1.00 1.00 ATOM 163 CA ASP 241 24.035 -7.137 18.937 1.00 1.00 ATOM 164 CA ASP 242 25.238 -10.194 20.754 1.00 1.00 ATOM 165 CA ALA 243 25.407 -12.230 17.467 1.00 1.00 ATOM 166 CA ALA 244 28.135 -9.800 16.391 1.00 1.00 ATOM 167 CA GLU 245 30.126 -10.796 19.488 1.00 1.00 ATOM 168 CA LEU 246 30.194 -14.340 18.090 1.00 1.00 ATOM 169 CA ILE 247 31.767 -13.140 14.896 1.00 1.00 ATOM 170 CA ALA 248 34.302 -10.989 16.772 1.00 1.00 ATOM 171 CA LYS 249 35.263 -13.771 19.155 1.00 1.00 ATOM 172 CA LYS 250 35.650 -16.288 16.295 1.00 1.00 ATOM 173 CA LEU 251 37.896 -13.952 14.204 1.00 1.00 ATOM 174 CA LEU 252 39.969 -13.031 17.305 1.00 1.00 ATOM 175 CA SER 253 40.475 -16.766 18.048 1.00 1.00 ATOM 176 CA PHE 254 41.787 -17.611 14.595 1.00 1.00 ATOM 177 CA LEU 255 44.010 -14.609 14.760 1.00 1.00 ATOM 178 CA PRO 256 42.523 -12.492 12.037 1.00 1.00 ATOM 179 CA GLN 257 41.224 -9.721 14.284 1.00 1.00 ATOM 180 CA GLU 261 38.944 -6.926 13.230 1.00 1.00 ATOM 185 CA ILE 281 26.390 -2.663 14.641 1.00 1.00 ATOM 186 CA VAL 282 23.696 -1.001 12.509 1.00 1.00 ATOM 187 CA PRO 283 20.910 -2.111 14.792 1.00 1.00 ATOM 188 CA ILE 284 17.721 -4.115 14.675 1.00 1.00 ATOM 189 CA ASP 285 15.207 -1.363 13.939 1.00 1.00 ATOM 190 CA GLY 286 13.320 -1.020 10.647 1.00 1.00 ATOM 191 CA LYS 287 14.213 2.646 10.223 1.00 1.00 ATOM 192 CA LYS 288 17.763 3.609 10.951 1.00 1.00 ATOM 193 CA GLY 289 20.568 5.835 9.818 1.00 1.00 ATOM 194 CA TYR 290 23.074 3.446 8.344 1.00 1.00 ATOM 195 CA ASP 291 22.602 0.275 6.312 1.00 1.00 ATOM 196 CA VAL 292 24.982 -2.409 5.068 1.00 1.00 ATOM 197 CA ARG 293 25.892 -0.631 1.810 1.00 1.00 ATOM 198 CA ASP 294 27.030 2.422 3.755 1.00 1.00 ATOM 199 CA VAL 295 29.419 0.133 5.671 1.00 1.00 ATOM 200 CA ILE 296 30.453 -1.923 2.664 1.00 1.00 ATOM 201 CA ALA 297 31.576 1.173 0.924 1.00 1.00 ATOM 202 CA LYS 298 33.856 2.115 3.790 1.00 1.00 ATOM 203 CA ILE 299 35.108 -1.477 3.983 1.00 1.00 ATOM 204 CA VAL 300 35.861 -1.853 0.267 1.00 1.00 ATOM 205 CA ASP 301 37.871 1.311 0.316 1.00 1.00 ATOM 206 CA TRP 302 39.741 0.603 3.497 1.00 1.00 ATOM 207 CA GLY 303 43.248 -0.847 2.904 1.00 1.00 ATOM 208 CA ASP 304 43.132 -2.171 6.476 1.00 1.00 ATOM 209 CA THR 314 39.986 -4.175 5.823 1.00 1.00 ATOM 210 CA ASN 315 41.039 -7.267 3.854 1.00 1.00 ATOM 211 CA LEU 316 37.835 -9.350 4.376 1.00 1.00 ATOM 212 CA VAL 317 34.270 -8.614 5.484 1.00 1.00 ATOM 213 CA THR 318 31.716 -10.403 7.567 1.00 1.00 ATOM 214 CA ALA 319 28.120 -9.248 7.083 1.00 1.00 ATOM 215 CA SER 339 25.591 -10.427 9.611 1.00 1.00 ATOM 216 CA GLY 340 21.943 -10.094 8.768 1.00 1.00 ATOM 217 CA CYS 341 18.567 -11.507 9.579 1.00 1.00 ATOM 218 CA LEU 342 14.992 -11.728 8.444 1.00 1.00 ATOM 219 CA ASP 343 12.961 -8.636 7.514 1.00 1.00 ATOM 220 CA ILE 344 13.369 -5.729 5.142 1.00 1.00 ATOM 221 CA ASN 345 15.621 -5.844 2.156 1.00 1.00 ATOM 222 CA ALA 346 18.846 -4.353 3.413 1.00 1.00 ATOM 223 CA SER 347 20.693 -7.603 2.728 1.00 1.00 ATOM 224 CA ASP 348 19.396 -7.806 -0.835 1.00 1.00 ATOM 225 CA LYS 349 20.482 -4.172 -1.385 1.00 1.00 ATOM 226 CA ALA 350 23.880 -5.079 -0.008 1.00 1.00 ATOM 227 CA ALA 351 24.199 -7.939 -2.565 1.00 1.00 ATOM 228 CA GLU 352 23.471 -5.490 -5.432 1.00 1.00 ATOM 229 CA PHE 353 26.100 -3.032 -4.171 1.00 1.00 ATOM 230 CA VAL 354 28.577 -5.926 -4.076 1.00 1.00 ATOM 231 CA ASN 355 27.712 -7.105 -7.598 1.00 1.00 ATOM 232 CA PHE 356 28.613 -3.667 -8.733 1.00 1.00 ATOM 233 CA CYS 357 31.631 -2.904 -6.579 1.00 1.00 ATOM 234 CA ASP 358 33.213 -6.096 -5.474 1.00 1.00 ATOM 235 CA SER 359 32.841 -8.221 -8.583 1.00 1.00 ATOM 238 CA PHE 360 38.514 -5.278 -7.042 1.00 1.00 ATOM 239 CA ASN 361 37.459 -8.221 -4.892 1.00 1.00 ATOM 240 CA ILE 362 37.598 -8.636 -1.121 1.00 1.00 ATOM 241 CA PRO 363 36.391 -11.872 0.497 1.00 1.00 ATOM 242 CA LEU 364 32.944 -11.470 2.066 1.00 1.00 ATOM 243 CA VAL 365 31.412 -13.995 4.410 1.00 1.00 ATOM 244 CA GLN 366 27.867 -13.755 5.762 1.00 1.00 ATOM 245 CA LEU 367 25.442 -15.370 8.201 1.00 1.00 ATOM 246 CA VAL 368 21.717 -14.580 8.017 1.00 1.00 ATOM 247 CA ASP 369 19.670 -15.221 11.204 1.00 1.00 ATOM 248 CA VAL 370 16.044 -16.433 11.204 1.00 1.00 ATOM 249 CA PRO 371 15.960 -19.439 8.895 1.00 1.00 ATOM 250 CA GLY 372 13.515 -21.041 11.311 1.00 1.00 ATOM 251 CA PHE 373 11.638 -17.959 12.380 1.00 1.00 ATOM 252 CA LEU 374 7.823 -18.254 12.107 1.00 1.00 ATOM 253 CA PRO 375 6.251 -15.667 9.735 1.00 1.00 ATOM 254 CA GLY 376 4.299 -12.770 11.148 1.00 1.00 ATOM 255 CA VAL 377 6.064 -12.479 14.496 1.00 1.00 ATOM 256 CA ARG 408 8.496 -9.758 15.528 1.00 1.00 ATOM 257 CA LYS 409 11.551 -11.810 16.563 1.00 1.00 ATOM 258 CA ALA 410 12.689 -9.549 19.383 1.00 1.00 ATOM 260 CA GLY 412 11.441 -4.503 15.789 1.00 1.00 ATOM 261 CA GLY 413 12.623 -5.086 12.234 1.00 1.00 ATOM 262 CA SER 414 12.970 -8.873 12.342 1.00 1.00 ATOM 263 CA TYR 415 9.701 -9.968 10.821 1.00 1.00 ATOM 264 CA LEU 416 8.666 -11.882 7.743 1.00 1.00 ATOM 265 CA ALA 417 5.650 -9.868 6.601 1.00 1.00 ATOM 266 CA MET 418 3.611 -10.427 3.455 1.00 1.00 ATOM 267 CA CYS 419 5.912 -13.287 2.588 1.00 1.00 ATOM 268 CA ASN 420 8.710 -10.746 2.188 1.00 1.00 ATOM 269 CA ARG 421 11.794 -10.735 4.434 1.00 1.00 ATOM 270 CA ASP 422 12.615 -14.464 4.621 1.00 1.00 ATOM 271 CA ALA 455 16.142 -15.648 5.209 1.00 1.00 ATOM 272 CA ALA 456 16.701 -17.867 2.218 1.00 1.00 ATOM 273 CA ASP 457 15.948 -15.160 -0.265 1.00 1.00 ATOM 274 CA THR 476 18.690 -13.093 1.385 1.00 1.00 ATOM 275 CA PRO 477 21.106 -15.997 1.370 1.00 1.00 ATOM 276 CA TYR 478 20.428 -16.572 -2.328 1.00 1.00 ATOM 277 CA VAL 479 20.846 -12.973 -3.181 1.00 1.00 ATOM 278 CA ALA 480 24.198 -12.721 -1.311 1.00 1.00 ATOM 279 CA ALA 481 25.605 -15.874 -2.841 1.00 1.00 ATOM 280 CA ALA 482 24.887 -14.536 -6.268 1.00 1.00 ATOM 281 CA ARG 483 26.922 -11.427 -5.271 1.00 1.00 ATOM 282 CA GLY 484 30.030 -13.474 -4.595 1.00 1.00 ATOM 283 CA GLN 485 29.399 -13.813 -0.868 1.00 1.00 ATOM 284 CA VAL 486 30.239 -17.104 0.974 1.00 1.00 ATOM 285 CA ASP 487 27.311 -17.702 3.234 1.00 1.00 ATOM 286 CA VAL 489 28.073 -19.622 6.358 1.00 1.00 ATOM 287 CA ILE 490 25.036 -21.763 7.219 1.00 1.00 ATOM 288 CA ASP 491 26.264 -22.036 10.810 1.00 1.00 ATOM 289 CA PRO 492 26.766 -19.007 13.060 1.00 1.00 ATOM 290 CA ALA 493 29.550 -20.918 14.780 1.00 1.00 ATOM 291 CA ASP 494 31.682 -21.025 11.603 1.00 1.00 ATOM 292 CA THR 495 32.124 -17.436 10.628 1.00 1.00 ATOM 293 CA ARG 496 35.744 -17.278 11.695 1.00 1.00 ATOM 294 CA ARG 497 36.783 -20.529 10.081 1.00 1.00 ATOM 295 CA LYS 498 34.869 -19.715 6.892 1.00 1.00 ATOM 296 CA ILE 499 36.497 -16.368 6.322 1.00 1.00 ATOM 297 CA ALA 500 39.794 -17.996 7.285 1.00 1.00 ATOM 298 CA SER 501 39.441 -20.549 4.473 1.00 1.00 ATOM 299 CA ALA 502 38.612 -17.755 2.034 1.00 1.00 ATOM 300 CA LEU 503 41.849 -16.024 3.029 1.00 1.00 ATOM 301 CA GLU 504 43.733 -19.265 2.603 1.00 1.00 ATOM 302 CA MET 505 42.273 -19.962 -0.876 1.00 1.00 ATOM 303 CA TYR 506 43.304 -16.452 -2.030 1.00 1.00 ATOM 304 CA ALA 507 46.701 -16.992 -0.444 1.00 1.00 ATOM 305 CA THR 508 46.158 -13.986 1.813 1.00 1.00 ATOM 306 CA LYS 509 47.207 -15.465 5.096 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 15:28:29 2002 Date: Wed, 24 Jul 2002 15:28:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0136 TS samt02.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jul 24 15:01:02 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_137600_13894 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0136TS189_2 Current information on models submitted in prediction T0136TS189 MODEL_INDEX PIN CODE DATE E-mail T0136TS189_2 PIN_137600_13894 5035-2079-5263 07/24/02 15:01:02 casp5@bialko.llnl.gov T0136TS189_5 PIN_134986_13892 5035-2079-5263 07/24/02 15:00:33 casp5@bialko.llnl.gov T0136TS189_4 PIN_127723_13891 5035-2079-5263 07/24/02 15:00:18 casp5@bialko.llnl.gov T0136TS189_3 PIN_720820_13889 5035-2079-5263 07/24/02 14:59:49 casp5@bialko.llnl.gov T0136TS189_1 PIN_723171_13888 5035-2079-5263 07/24/02 14:59:35 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0136 MODEL_INDEX PIN CODE DATE E-mail T0136TS189_1 PIN_723171_13888 5035-2079-5263 07/24/02 14:59:35 casp5@bialko.llnl.gov T0136TS189_2 PIN_137600_13894 5035-2079-5263 07/24/02 15:01:02 casp5@bialko.llnl.gov T0136TS189_3 PIN_720820_13889 5035-2079-5263 07/24/02 14:59:49 casp5@bialko.llnl.gov T0136TS189_4 PIN_127723_13891 5035-2079-5263 07/24/02 15:00:18 casp5@bialko.llnl.gov T0136TS189_5 PIN_134986_13892 5035-2079-5263 07/24/02 15:00:33 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0136 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1EF8_A # Loading PARENT structure: 1ef8 (chain: A) # Number of residues in PARENT structure: 256 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue E 2 # IMPORTANT NOTE! Not complete main chain atoms for residue N 3 # IMPORTANT NOTE! Not complete main chain atoms for residue N 4 # IMPORTANT NOTE! Not complete main chain atoms for residue N 5 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue G 88 # IMPORTANT NOTE! Not complete main chain atoms for residue R 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue T 91 # IMPORTANT NOTE! Not complete main chain atoms for residue I 92 # IMPORTANT NOTE! Not complete main chain atoms for residue L 93 # IMPORTANT NOTE! Not complete main chain atoms for residue G 94 # IMPORTANT NOTE! Not complete main chain atoms for residue R 95 # IMPORTANT NOTE! Not complete main chain atoms for residue P 96 # IMPORTANT NOTE! Not complete main chain atoms for residue V 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue S 101 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 102 # IMPORTANT NOTE! Not complete main chain atoms for residue D 103 # IMPORTANT NOTE! Not complete main chain atoms for residue F 104 # IMPORTANT NOTE! Not complete main chain atoms for residue T 105 # IMPORTANT NOTE! Not complete main chain atoms for residue V 106 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 145 # IMPORTANT NOTE! Not complete main chain atoms for residue E 146 # IMPORTANT NOTE! Not complete main chain atoms for residue G 147 # IMPORTANT NOTE! Not complete main chain atoms for residue I 148 # IMPORTANT NOTE! Not complete main chain atoms for residue D 149 # IMPORTANT NOTE! Not complete main chain atoms for residue S 150 # IMPORTANT NOTE! Not complete main chain atoms for residue L 151 # IMPORTANT NOTE! Not complete main chain atoms for residue S 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 154 # IMPORTANT NOTE! Not complete main chain atoms for residue G 155 # IMPORTANT NOTE! Not complete main chain atoms for residue K 156 # IMPORTANT NOTE! Not complete main chain atoms for residue M 157 # IMPORTANT NOTE! Not complete main chain atoms for residue F 158 # IMPORTANT NOTE! Not complete main chain atoms for residue F 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue N 161 # IMPORTANT NOTE! Not complete main chain atoms for residue V 162 # IMPORTANT NOTE! Not complete main chain atoms for residue K 163 # IMPORTANT NOTE! Not complete main chain atoms for residue L 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue G 166 # IMPORTANT NOTE! Not complete main chain atoms for residue V 167 # IMPORTANT NOTE! Not complete main chain atoms for residue V 168 # IMPORTANT NOTE! Not complete main chain atoms for residue P 169 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 170 # IMPORTANT NOTE! Not complete main chain atoms for residue I 171 # IMPORTANT NOTE! Not complete main chain atoms for residue F 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue I 193 # IMPORTANT NOTE! Not complete main chain atoms for residue M 194 # IMPORTANT NOTE! Not complete main chain atoms for residue T 195 # IMPORTANT NOTE! Not complete main chain atoms for residue K 196 # IMPORTANT NOTE! Not complete main chain atoms for residue K 197 # IMPORTANT NOTE! Not complete main chain atoms for residue A 198 # IMPORTANT NOTE! Not complete main chain atoms for residue H 199 # IMPORTANT NOTE! Not complete main chain atoms for residue M 200 # IMPORTANT NOTE! Not complete main chain atoms for residue F 201 # IMPORTANT NOTE! Not complete main chain atoms for residue I 202 # IMPORTANT NOTE! Not complete main chain atoms for residue T 203 # IMPORTANT NOTE! Not complete main chain atoms for residue G 204 # IMPORTANT NOTE! Not complete main chain atoms for residue P 205 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 206 # IMPORTANT NOTE! Not complete main chain atoms for residue V 207 # IMPORTANT NOTE! Not complete main chain atoms for residue H 227 # IMPORTANT NOTE! Not complete main chain atoms for residue M 228 # IMPORTANT NOTE! Not complete main chain atoms for residue A 229 # IMPORTANT NOTE! Not complete main chain atoms for residue H 235 # IMPORTANT NOTE! Not complete main chain atoms for residue F 236 # IMPORTANT NOTE! Not complete main chain atoms for residue V 237 # IMPORTANT NOTE! Not complete main chain atoms for residue A 238 # IMPORTANT NOTE! Not complete main chain atoms for residue E 239 # IMPORTANT NOTE! Not complete main chain atoms for residue D 240 # IMPORTANT NOTE! Not complete main chain atoms for residue D 241 # IMPORTANT NOTE! Not complete main chain atoms for residue G 289 # IMPORTANT NOTE! Not complete main chain atoms for residue G 388 # IMPORTANT NOTE! Not complete main chain atoms for residue A 389 # IMPORTANT NOTE! Not complete main chain atoms for residue K 390 # IMPORTANT NOTE! Not complete main chain atoms for residue M 391 # IMPORTANT NOTE! Not complete main chain atoms for residue L 392 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 393 # IMPORTANT NOTE! Not complete main chain atoms for residue A 394 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 395 # IMPORTANT NOTE! Not complete main chain atoms for residue S 396 # IMPORTANT NOTE! Not complete main chain atoms for residue E 397 # IMPORTANT NOTE! Not complete main chain atoms for residue A 398 # IMPORTANT NOTE! Not complete main chain atoms for residue T 399 # IMPORTANT NOTE! Not complete main chain atoms for residue V 400 # IMPORTANT NOTE! Not complete main chain atoms for residue P 401 # IMPORTANT NOTE! Not complete main chain atoms for residue K 402 # IMPORTANT NOTE! Not complete main chain atoms for residue I 403 # IMPORTANT NOTE! Not complete main chain atoms for residue T 404 # IMPORTANT NOTE! Not complete main chain atoms for residue V 405 # IMPORTANT NOTE! Not complete main chain atoms for residue V 406 # IMPORTANT NOTE! Not complete main chain atoms for residue L 407 # IMPORTANT NOTE! Not complete main chain atoms for residue R 408 # IMPORTANT NOTE! Not complete main chain atoms for residue K 409 # IMPORTANT NOTE! Not complete main chain atoms for residue A 410 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 411 # IMPORTANT NOTE! Not complete main chain atoms for residue G 412 # IMPORTANT NOTE! Not complete main chain atoms for residue G 413 # IMPORTANT NOTE! Not complete main chain atoms for residue S 414 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 415 # IMPORTANT NOTE! Not complete main chain atoms for residue L 416 # IMPORTANT NOTE! Not complete main chain atoms for residue A 417 # IMPORTANT NOTE! Not complete main chain atoms for residue M 418 # IMPORTANT NOTE! Not complete main chain atoms for residue C 419 # IMPORTANT NOTE! Not complete main chain atoms for residue G 424 # IMPORTANT NOTE! Not complete main chain atoms for residue A 425 # IMPORTANT NOTE! Not complete main chain atoms for residue D 426 # IMPORTANT NOTE! Not complete main chain atoms for residue A 427 # IMPORTANT NOTE! Not complete main chain atoms for residue V 428 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 429 # IMPORTANT NOTE! Not complete main chain atoms for residue A 430 # IMPORTANT NOTE! Not complete main chain atoms for residue W 431 # IMPORTANT NOTE! Not complete main chain atoms for residue P 432 # IMPORTANT NOTE! Not complete main chain atoms for residue S 433 # IMPORTANT NOTE! Not complete main chain atoms for residue A 434 # IMPORTANT NOTE! Not complete main chain atoms for residue E 435 # IMPORTANT NOTE! Not complete main chain atoms for residue I 436 # IMPORTANT NOTE! Not complete main chain atoms for residue A 437 # IMPORTANT NOTE! Not complete main chain atoms for residue V 438 # IMPORTANT NOTE! Not complete main chain atoms for residue M 439 # IMPORTANT NOTE! Not complete main chain atoms for residue A 441 # IMPORTANT NOTE! Not complete main chain atoms for residue E 442 # IMPORTANT NOTE! Not complete main chain atoms for residue G 443 # IMPORTANT NOTE! Not complete main chain atoms for residue V 447 # IMPORTANT NOTE! Not complete main chain atoms for residue I 453 # IMPORTANT NOTE! Not complete main chain atoms for residue K 454 # IMPORTANT NOTE! Not complete main chain atoms for residue A 455 # IMPORTANT NOTE! Not complete main chain atoms for residue A 456 # IMPORTANT NOTE! Not complete main chain atoms for residue D 457 # IMPORTANT NOTE! Not complete main chain atoms for residue D 458 # IMPORTANT NOTE! Not complete main chain atoms for residue P 459 # IMPORTANT NOTE! Not complete main chain atoms for residue D 460 # IMPORTANT NOTE! Not complete main chain atoms for residue A 461 # IMPORTANT NOTE! Not complete main chain atoms for residue M 462 # IMPORTANT NOTE! Not complete main chain atoms for residue R 463 # IMPORTANT NOTE! Not complete main chain atoms for residue A 464 # IMPORTANT NOTE! Not complete main chain atoms for residue E 465 # IMPORTANT NOTE! Not complete main chain atoms for residue K 466 # IMPORTANT NOTE! Not complete main chain atoms for residue I 467 # IMPORTANT NOTE! Not complete main chain atoms for residue E 468 # IMPORTANT NOTE! Not complete main chain atoms for residue E 469 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 470 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 471 # IMPORTANT NOTE! Not complete main chain atoms for residue N 472 # IMPORTANT NOTE! Not complete main chain atoms for residue A 473 # IMPORTANT NOTE! Not complete main chain atoms for residue F 474 # IMPORTANT NOTE! Not complete main chain atoms for residue N 475 # IMPORTANT NOTE! Not complete main chain atoms for residue T 476 # IMPORTANT NOTE! Not complete main chain atoms for residue P 477 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 478 # IMPORTANT NOTE! Not complete main chain atoms for residue V 479 # IMPORTANT NOTE! Not complete main chain atoms for residue A 480 # IMPORTANT NOTE! Not complete main chain atoms for residue A 481 # IMPORTANT NOTE! Not complete main chain atoms for residue A 482 # IMPORTANT NOTE! Not complete main chain atoms for residue R 483 # IMPORTANT NOTE! Not complete main chain atoms for residue P 492 # IMPORTANT NOTE! Not complete main chain atoms for residue A 493 # IMPORTANT NOTE! Not complete main chain atoms for residue D 494 # IMPORTANT NOTE! Not complete main chain atoms for residue T 495 # IMPORTANT NOTE! Not complete main chain atoms for residue R 496 # IMPORTANT NOTE! Not complete main chain atoms for residue R 497 # IMPORTANT NOTE! Not complete main chain atoms for residue K 498 # IMPORTANT NOTE! Not complete main chain atoms for residue I 499 # IMPORTANT NOTE! Not complete main chain atoms for residue A 500 # IMPORTANT NOTE! Not complete main chain atoms for residue S 501 # IMPORTANT NOTE! Not complete main chain atoms for residue A 502 # IMPORTANT NOTE! Not complete main chain atoms for residue L 503 # IMPORTANT NOTE! Not complete main chain atoms for residue E 504 # IMPORTANT NOTE! Not complete main chain atoms for residue M 505 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 506 # IMPORTANT NOTE! Not complete main chain atoms for residue A 507 # IMPORTANT NOTE! Not complete main chain atoms for residue T 508 # IMPORTANT NOTE! Not complete main chain atoms for residue K 509 # IMPORTANT NOTE! Not complete main chain atoms for residue R 510 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 511 # IMPORTANT NOTE! Not complete main chain atoms for residue T 512 # IMPORTANT NOTE! Not complete main chain atoms for residue R 513 # IMPORTANT NOTE! Not complete main chain atoms for residue P 514 # IMPORTANT NOTE! Not complete main chain atoms for residue A 515 # IMPORTANT NOTE! Not complete main chain atoms for residue K 516 # IMPORTANT NOTE! Not complete main chain atoms for residue K 517 # IMPORTANT NOTE! Not complete main chain atoms for residue H 518 # IMPORTANT NOTE! Not complete main chain atoms for residue G 519 # IMPORTANT NOTE! Not complete main chain atoms for residue N 520 # IMPORTANT NOTE! Not complete main chain atoms for residue F 521 # IMPORTANT NOTE! Not complete main chain atoms for residue P 522 # IMPORTANT NOTE! Not complete main chain atoms for residue C 523 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0136 # Total number of residues in target: 523 # Total number of residues in model: 193 # Total number of atoms in model: 193 # Number of atoms with 1.0 occupancy: 193 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 193 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0136 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1EF8_A ATOM 1 CA ALA 1 11.842 -22.607 12.428 1.00 1.00 ATOM 2 CA GLU 2 15.603 -22.322 11.506 1.00 1.00 ATOM 3 CA ASN 3 17.617 -19.910 9.251 1.00 1.00 ATOM 4 CA ASN 4 21.031 -19.908 7.801 1.00 1.00 ATOM 5 CA ASN 5 21.801 -16.284 8.690 1.00 1.00 ATOM 6 CA THR 87 19.971 -15.465 11.894 1.00 1.00 ATOM 7 CA GLY 88 19.219 -17.334 15.098 1.00 1.00 ATOM 8 CA ARG 89 15.882 -16.802 16.823 1.00 1.00 ATOM 9 CA GLY 90 14.734 -17.385 20.353 1.00 1.00 ATOM 10 CA THR 91 11.466 -16.838 22.037 1.00 1.00 ATOM 11 CA ILE 92 11.233 -15.829 25.675 1.00 1.00 ATOM 12 CA LEU 93 7.602 -15.754 26.827 1.00 1.00 ATOM 13 CA GLY 94 6.082 -13.231 24.400 1.00 1.00 ATOM 14 CA ARG 95 9.299 -11.682 23.233 1.00 1.00 ATOM 15 CA PRO 96 11.308 -12.890 20.252 1.00 1.00 ATOM 16 CA VAL 97 15.000 -12.223 19.751 1.00 1.00 ATOM 17 CA HIS 98 16.481 -12.202 16.307 1.00 1.00 ATOM 18 CA SER 101 20.262 -12.512 16.460 1.00 1.00 ATOM 19 CA GLN 102 22.395 -12.017 13.465 1.00 1.00 ATOM 20 CA ASP 103 24.474 -14.945 12.254 1.00 1.00 ATOM 21 CA PHE 104 26.569 -13.273 9.562 1.00 1.00 ATOM 22 CA THR 105 29.847 -12.515 11.303 1.00 1.00 ATOM 23 CA VAL 106 32.291 -13.160 8.493 1.00 1.00 ATOM 24 CA GLN 145 31.034 -10.115 6.721 1.00 1.00 ATOM 25 CA GLU 146 30.635 -8.245 9.878 1.00 1.00 ATOM 26 CA GLY 147 26.854 -8.482 9.430 1.00 1.00 ATOM 27 CA ILE 148 26.929 -6.501 6.183 1.00 1.00 ATOM 28 CA ASP 149 23.466 -6.180 4.701 1.00 1.00 ATOM 29 CA SER 150 23.702 -8.869 2.007 1.00 1.00 ATOM 30 CA LEU 151 20.637 -10.091 0.234 1.00 1.00 ATOM 31 CA SER 152 20.807 -13.629 1.730 1.00 1.00 ATOM 32 CA GLY 153 21.218 -12.108 5.140 1.00 1.00 ATOM 33 CA TYR 154 18.389 -9.629 4.773 1.00 1.00 ATOM 34 CA GLY 155 16.180 -12.303 3.274 1.00 1.00 ATOM 35 CA LYS 156 16.620 -14.493 6.389 1.00 1.00 ATOM 36 CA MET 157 15.916 -11.533 8.698 1.00 1.00 ATOM 37 CA PHE 158 12.750 -10.900 6.754 1.00 1.00 ATOM 38 CA PHE 159 11.627 -14.534 6.773 1.00 1.00 ATOM 39 CA ALA 160 12.186 -14.665 10.494 1.00 1.00 ATOM 40 CA ASN 161 10.081 -11.569 11.068 1.00 1.00 ATOM 41 CA VAL 162 7.402 -12.916 8.915 1.00 1.00 ATOM 42 CA LYS 163 7.442 -16.245 10.721 1.00 1.00 ATOM 43 CA LEU 164 7.102 -14.280 14.036 1.00 1.00 ATOM 44 CA SER 165 3.965 -12.432 12.961 1.00 1.00 ATOM 45 CA GLY 166 1.700 -14.390 15.278 1.00 1.00 ATOM 47 CA VAL 167 1.562 -14.913 20.724 1.00 1.00 ATOM 48 CA VAL 168 4.572 -12.830 19.775 1.00 1.00 ATOM 49 CA PRO 169 4.390 -9.248 21.044 1.00 1.00 ATOM 50 CA GLN 170 7.718 -7.634 20.749 1.00 1.00 ATOM 51 CA ILE 171 10.831 -8.189 18.787 1.00 1.00 ATOM 52 CA PHE 191 14.422 -7.484 19.623 1.00 1.00 ATOM 53 CA ILE 192 17.129 -7.252 16.929 1.00 1.00 ATOM 54 CA ILE 193 20.735 -7.826 18.009 1.00 1.00 ATOM 55 CA MET 194 24.235 -8.834 17.019 1.00 1.00 ATOM 56 CA THR 195 25.904 -11.702 18.888 1.00 1.00 ATOM 57 CA LYS 196 27.007 -10.978 22.423 1.00 1.00 ATOM 58 CA LYS 197 30.439 -9.306 22.469 1.00 1.00 ATOM 59 CA ALA 198 30.286 -8.145 18.838 1.00 1.00 ATOM 60 CA HIS 199 32.860 -5.482 17.929 1.00 1.00 ATOM 61 CA MET 200 30.873 -4.463 14.837 1.00 1.00 ATOM 62 CA PHE 201 27.114 -4.412 15.116 1.00 1.00 ATOM 63 CA ILE 202 26.811 -4.132 11.319 1.00 1.00 ATOM 64 CA THR 203 29.097 -2.947 8.546 1.00 1.00 ATOM 65 CA GLY 204 26.107 -1.701 6.573 1.00 1.00 ATOM 66 CA PRO 205 25.651 -2.093 2.814 1.00 1.00 ATOM 67 CA GLN 206 27.456 -4.921 1.177 1.00 1.00 ATOM 68 CA VAL 207 29.481 -3.126 -1.426 1.00 1.00 ATOM 69 CA HIS 227 30.840 -6.250 -3.051 1.00 1.00 ATOM 70 CA MET 228 27.251 -7.155 -3.939 1.00 1.00 ATOM 71 CA ALA 229 26.772 -3.996 -5.960 1.00 1.00 ATOM 77 CA HIS 235 20.808 2.214 -8.714 1.00 1.00 ATOM 78 CA PHE 236 21.749 0.243 -5.648 1.00 1.00 ATOM 79 CA VAL 237 18.982 1.837 -3.604 1.00 1.00 ATOM 80 CA ALA 238 16.044 0.892 -5.748 1.00 1.00 ATOM 81 CA GLU 239 12.670 -0.086 -4.326 1.00 1.00 ATOM 82 CA ASP 240 13.399 -3.705 -4.180 1.00 1.00 ATOM 83 CA ASP 241 16.883 -3.611 -2.793 1.00 1.00 ATOM 84 CA GLY 289 17.397 -5.460 0.449 1.00 1.00 ATOM 85 CA GLY 388 17.954 -2.426 2.687 1.00 1.00 ATOM 86 CA ALA 389 14.889 -0.849 1.134 1.00 1.00 ATOM 87 CA LYS 390 12.826 -3.907 1.731 1.00 1.00 ATOM 88 CA MET 391 13.828 -4.414 5.333 1.00 1.00 ATOM 89 CA LEU 392 13.242 -0.821 6.501 1.00 1.00 ATOM 90 CA TYR 393 9.838 -1.040 4.931 1.00 1.00 ATOM 91 CA ALA 394 9.035 -4.292 6.602 1.00 1.00 ATOM 92 CA TYR 395 10.281 -3.233 9.983 1.00 1.00 ATOM 93 CA SER 396 8.209 -0.043 9.801 1.00 1.00 ATOM 94 CA GLU 397 5.055 -1.854 8.771 1.00 1.00 ATOM 95 CA ALA 398 5.487 -4.768 11.232 1.00 1.00 ATOM 96 CA THR 399 2.565 -4.759 13.696 1.00 1.00 ATOM 97 CA VAL 400 4.749 -5.453 16.687 1.00 1.00 ATOM 98 CA PRO 401 7.279 -3.138 18.179 1.00 1.00 ATOM 99 CA LYS 402 10.809 -3.728 17.091 1.00 1.00 ATOM 100 CA ILE 403 13.691 -2.775 19.327 1.00 1.00 ATOM 101 CA THR 404 17.262 -2.532 18.062 1.00 1.00 ATOM 102 CA VAL 405 19.612 -3.733 20.837 1.00 1.00 ATOM 103 CA VAL 406 22.990 -2.397 19.946 1.00 1.00 ATOM 104 CA LEU 407 26.427 -3.662 20.895 1.00 1.00 ATOM 105 CA ARG 408 29.398 -2.638 18.651 1.00 1.00 ATOM 106 CA LYS 409 29.818 -0.019 15.864 1.00 1.00 ATOM 107 CA ALA 410 26.948 0.822 13.463 1.00 1.00 ATOM 108 CA TYR 411 27.649 1.850 9.875 1.00 1.00 ATOM 109 CA GLY 412 25.758 3.500 7.052 1.00 1.00 ATOM 110 CA GLY 413 22.962 1.259 5.849 1.00 1.00 ATOM 111 CA SER 414 22.877 -0.427 9.286 1.00 1.00 ATOM 112 CA TYR 415 22.460 2.950 10.807 1.00 1.00 ATOM 113 CA LEU 416 19.422 3.567 8.622 1.00 1.00 ATOM 114 CA ALA 417 18.184 0.099 9.528 1.00 1.00 ATOM 115 CA MET 418 18.215 0.735 13.273 1.00 1.00 ATOM 116 CA CYS 419 16.720 4.236 12.810 1.00 1.00 ATOM 117 CA GLY 424 13.782 2.612 11.047 1.00 1.00 ATOM 118 CA ALA 425 13.068 0.501 14.141 1.00 1.00 ATOM 119 CA ASP 426 10.864 1.631 17.014 1.00 1.00 ATOM 120 CA ALA 427 13.332 1.934 19.873 1.00 1.00 ATOM 121 CA VAL 428 17.112 1.770 20.138 1.00 1.00 ATOM 122 CA TYR 429 18.850 0.545 23.302 1.00 1.00 ATOM 123 CA ALA 430 22.610 0.532 23.215 1.00 1.00 ATOM 124 CA TRP 431 25.851 -0.224 25.118 1.00 1.00 ATOM 125 CA PRO 432 27.832 2.693 26.412 1.00 1.00 ATOM 126 CA SER 433 30.677 1.664 24.065 1.00 1.00 ATOM 127 CA ALA 434 28.653 1.441 20.858 1.00 1.00 ATOM 128 CA GLU 435 29.221 3.966 18.089 1.00 1.00 ATOM 129 CA ILE 436 27.290 5.375 15.173 1.00 1.00 ATOM 130 CA ALA 437 28.168 6.588 11.706 1.00 1.00 ATOM 131 CA VAL 438 26.276 7.571 8.431 1.00 1.00 ATOM 132 CA MET 439 28.674 7.094 5.511 1.00 1.00 ATOM 133 CA ALA 441 27.222 7.531 1.960 1.00 1.00 ATOM 134 CA GLU 442 29.560 10.542 1.475 1.00 1.00 ATOM 135 CA GLY 443 32.612 8.331 1.927 1.00 1.00 ATOM 136 CA VAL 447 31.729 6.397 -1.291 1.00 1.00 ATOM 199 CA ILE 453 4.386 -7.388 25.902 1.00 1.00 ATOM 200 CA LYS 454 1.883 -7.022 28.690 1.00 1.00 ATOM 201 CA ALA 455 0.228 -4.085 26.883 1.00 1.00 ATOM 202 CA ALA 456 -2.651 -4.142 24.337 1.00 1.00 ATOM 203 CA ASP 457 -1.137 -5.496 21.125 1.00 1.00 ATOM 204 CA ASP 458 -3.885 -4.273 18.832 1.00 1.00 ATOM 205 CA PRO 459 -3.628 -0.716 20.105 1.00 1.00 ATOM 206 CA ASP 460 0.114 -0.751 19.812 1.00 1.00 ATOM 207 CA ALA 461 -0.250 -1.934 16.239 1.00 1.00 ATOM 208 CA MET 462 -2.583 0.804 15.207 1.00 1.00 ATOM 209 CA ARG 463 -0.634 3.556 16.892 1.00 1.00 ATOM 210 CA ALA 464 2.541 2.359 15.365 1.00 1.00 ATOM 211 CA GLU 465 0.997 2.466 11.883 1.00 1.00 ATOM 212 CA LYS 466 -0.538 5.858 12.601 1.00 1.00 ATOM 213 CA ILE 467 2.925 7.093 13.485 1.00 1.00 ATOM 214 CA GLU 468 4.286 5.507 10.281 1.00 1.00 ATOM 215 CA GLU 469 1.770 7.090 8.123 1.00 1.00 ATOM 216 CA TYR 470 2.221 10.526 9.704 1.00 1.00 ATOM 217 CA GLN 471 5.980 10.145 9.433 1.00 1.00 ATOM 218 CA ASN 472 5.800 9.480 5.721 1.00 1.00 ATOM 219 CA ALA 473 3.428 12.400 5.137 1.00 1.00 ATOM 220 CA PHE 474 5.951 14.876 3.624 1.00 1.00 ATOM 221 CA ASN 475 4.426 15.193 0.211 1.00 1.00 ATOM 222 CA THR 476 5.561 16.656 -3.109 1.00 1.00 ATOM 223 CA PRO 477 4.560 16.817 -6.761 1.00 1.00 ATOM 224 CA TYR 478 5.817 14.479 -9.484 1.00 1.00 ATOM 225 CA VAL 479 8.050 17.128 -11.050 1.00 1.00 ATOM 226 CA ALA 480 10.029 17.576 -7.828 1.00 1.00 ATOM 227 CA ALA 481 10.462 13.826 -7.380 1.00 1.00 ATOM 228 CA ALA 482 11.612 13.518 -11.071 1.00 1.00 ATOM 229 CA ARG 483 13.965 16.404 -10.586 1.00 1.00 ATOM 230 CA PRO 492 15.605 14.791 -7.527 1.00 1.00 ATOM 231 CA ALA 493 15.803 11.550 -9.425 1.00 1.00 ATOM 232 CA ASP 494 17.641 13.344 -12.293 1.00 1.00 ATOM 233 CA THR 495 20.149 14.684 -9.791 1.00 1.00 ATOM 234 CA ARG 496 20.630 11.209 -8.370 1.00 1.00 ATOM 235 CA ARG 497 21.293 9.791 -11.834 1.00 1.00 ATOM 236 CA LYS 498 23.851 12.441 -12.474 1.00 1.00 ATOM 237 CA ILE 499 25.616 11.321 -9.317 1.00 1.00 ATOM 238 CA ALA 500 25.461 7.678 -10.295 1.00 1.00 ATOM 239 CA SER 501 26.977 8.573 -13.690 1.00 1.00 ATOM 240 CA ALA 502 29.846 10.633 -12.228 1.00 1.00 ATOM 241 CA LEU 503 33.527 9.919 -12.086 1.00 1.00 ATOM 242 CA GLU 504 33.408 10.536 -8.372 1.00 1.00 ATOM 243 CA MET 505 30.965 7.664 -8.079 1.00 1.00 ATOM 244 CA TYR 506 33.361 5.240 -9.733 1.00 1.00 ATOM 245 CA ALA 507 36.186 6.597 -7.740 1.00 1.00 ATOM 246 CA THR 508 34.413 6.146 -4.470 1.00 1.00 ATOM 247 CA LYS 509 33.472 2.444 -5.013 1.00 1.00 ATOM 248 CA ARG 510 36.930 1.478 -6.268 1.00 1.00 ATOM 249 CA GLN 511 38.689 3.187 -3.494 1.00 1.00 ATOM 250 CA THR 512 36.408 1.308 -1.200 1.00 1.00 ATOM 251 CA ARG 513 37.093 -1.992 -2.908 1.00 1.00 ATOM 252 CA PRO 514 40.747 -0.947 -3.331 1.00 1.00 ATOM 253 CA ALA 515 40.945 -0.194 0.399 1.00 1.00 ATOM 254 CA LYS 516 42.516 3.251 -0.279 1.00 1.00 ATOM 255 CA LYS 517 41.567 6.922 0.252 1.00 1.00 ATOM 256 CA HIS 518 39.331 8.219 -2.524 1.00 1.00 ATOM 257 CA GLY 519 40.111 11.291 -4.506 1.00 1.00 ATOM 258 CA ASN 520 36.902 13.195 -5.199 1.00 1.00 ATOM 259 CA PHE 521 36.953 15.802 -7.846 1.00 1.00 ATOM 260 CA PRO 522 33.411 17.047 -8.184 1.00 1.00 ATOM 261 CA CYS 523 32.467 15.379 -11.446 1.00 1.00 TER END ################################ # # # END # # # ################################