From mailer@bialko.llnl.gov Wed Jun 26 12:03:07 2002 Date: Wed, 26 Jun 2002 12:03:01 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jun 26 11:37:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_485514_10971 # (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 T0142 AUTHOR 5144-8387-2760 # Reading MODEL 1 P T 0.421 # ERROR! Check the line NB = 4 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0142 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 T0142.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 61 METHOD MODEL 1 G C 0.597 S C 0.644 P C 0.698 P T 0.421 A T 0.479 Q T 0.374 L E 0.630 S E 0.874 V E 0.991 H E 0.990 T E 0.988 V E 0.972 S E 0.940 W E 0.856 N E 0.701 S E 0.421 G T 0.673 H T 0.650 E C 0.382 R C 0.512 A C 0.569 P C 0.427 T C 0.394 N C 0.364 L H 0.464 E H 0.573 E H 0.564 L H 0.522 L H 0.456 G T 0.329 L T 0.390 N T 0.477 S T 0.530 G T 0.529 E T 0.470 T C 0.507 P C 0.463 D E 0.509 V E 0.946 I E 0.982 A E 0.993 V E 0.981 A E 0.845 V E 0.618 Q E 0.607 G E 0.536 F C 0.315 G E 0.307 F T 0.265 Q T 0.332 T T 0.369 D T 0.402 K T 0.384 P T 0.435 Q T 0.446 Q T 0.410 G C 0.394 P H 0.674 A H 0.815 C H 0.903 V H 0.920 K H 0.936 N H 0.957 F H 0.963 Q H 0.910 S H 0.883 L H 0.820 L H 0.590 T T 0.503 S T 0.593 K T 0.651 G C 0.385 Y E 0.838 T E 0.958 K E 0.963 L E 0.913 K E 0.800 N E 0.666 T E 0.623 I E 0.404 T H 0.441 E H 0.730 T H 0.711 M H 0.581 G E 0.536 L E 0.698 T E 0.762 V E 0.838 Y E 0.849 C E 0.809 L E 0.558 E T 0.339 K T 0.497 H T 0.491 L T 0.507 D T 0.430 Q T 0.318 N E 0.488 T E 0.496 L E 0.541 K E 0.438 N E 0.359 E E 0.597 T E 0.673 I E 0.657 I E 0.788 V E 0.766 T E 0.777 V E 0.710 D E 0.416 D T 0.471 Q T 0.498 K T 0.467 K C 0.436 S C 0.406 G E 0.638 G E 0.825 I E 0.974 V E 0.992 T E 0.992 S E 0.994 F E 0.986 T E 0.985 I E 0.964 Y E 0.665 N T 0.608 K E 0.564 R E 0.875 F E 0.962 S E 0.978 F E 0.965 T E 0.921 T E 0.734 S E 0.345 R H 0.260 M H 0.328 S T 0.319 D H 0.365 E T 0.469 D T 0.493 V H 0.430 T H 0.474 S H 0.795 T H 0.845 N H 0.847 T H 0.883 K H 0.937 Y H 0.971 A H 0.974 Y H 0.995 D H 0.994 T H 0.989 R H 0.988 L H 0.974 D H 0.942 Y H 0.871 S H 0.547 K C 0.550 K C 0.453 D T 0.536 D T 0.536 P T 0.442 S T 0.419 D C 0.444 F E 0.915 L E 0.977 F E 0.973 W E 0.954 I E 0.792 G E 0.496 D T 0.583 L T 0.480 N E 0.497 V E 0.679 R E 0.686 V E 0.602 E T 0.359 T T 0.424 N C 0.429 A H 0.518 T H 0.785 H H 0.904 A H 0.961 K H 0.967 S H 0.955 L H 0.943 V H 0.904 D H 0.876 Q H 0.789 N C 0.468 N C 0.530 I H 0.782 D H 0.738 G H 0.708 L H 0.719 M H 0.776 A H 0.865 F H 0.852 D H 0.760 Q H 0.904 L H 0.948 K H 0.957 K H 0.926 A H 0.895 K H 0.840 E H 0.548 Q T 0.397 K T 0.502 L T 0.440 F T 0.529 D T 0.623 G T 0.638 W T 0.519 T E 0.386 E E 0.391 P C 0.415 Q C 0.493 V C 0.381 T C 0.512 F C 0.553 K C 0.566 P C 0.673 T C 0.450 Y E 0.427 K C 0.495 F C 0.539 K T 0.522 P T 0.676 N T 0.820 T T 0.806 D T 0.619 E T 0.680 Y T 0.663 D T 0.676 L T 0.712 S T 0.626 A T 0.429 T C 0.519 P C 0.454 S T 0.435 W T 0.361 T T 0.457 D C 0.355 R E 0.642 A E 0.782 L E 0.836 Y E 0.739 K E 0.350 S T 0.554 G T 0.644 T T 0.679 G T 0.591 K T 0.535 T T 0.406 I E 0.492 Q E 0.720 P E 0.805 L E 0.703 S E 0.589 Y E 0.446 N T 0.340 S T 0.355 L T 0.499 T T 0.588 N T 0.459 Y C 0.320 K E 0.339 Q T 0.338 T T 0.521 E T 0.511 H T 0.521 R T 0.440 P C 0.496 V E 0.543 L E 0.873 A E 0.952 K E 0.975 F E 0.984 R E 0.923 V E 0.827 T E 0.589 L C 0.938 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jun 26 12:04:07 2002 Date: Wed, 26 Jun 2002 12:04:01 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jun 26 11:37:19 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_486815_10972 # (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 T0142 AUTHOR 2491-6940-1261 # Reading MODEL 1 A S 0.335 # ERROR! Check the line NB = 5 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0142 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 T0142.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 61 METHOD MODEL 1 G C 0.999 S C 0.962 P C 0.817 P C 0.480 A S 0.335 Q E 0.349 L E 0.760 S E 0.960 V E 0.978 H E 0.973 T E 0.962 V E 0.936 S E 0.757 W E 0.539 N E 0.374 S C 0.370 G C 0.310 H C 0.318 E C 0.446 R C 0.557 A C 0.758 P C 0.517 T H 0.286 N H 0.420 L H 0.493 E H 0.579 E H 0.626 L H 0.643 L H 0.548 G H 0.324 L C 0.423 N C 0.511 S T 0.352 G T 0.313 E C 0.433 T C 0.596 P C 0.671 D E 0.458 V E 0.969 I E 0.994 A E 0.997 V E 0.984 A E 0.859 V E 0.661 Q E 0.628 G E 0.598 F E 0.445 G C 0.374 F C 0.280 Q H 0.266 T H 0.243 D H 0.301 K T 0.290 P H 0.256 Q C 0.341 Q C 0.374 G C 0.375 P H 0.675 A H 0.755 C H 0.915 V H 0.966 K H 0.964 N H 0.963 F H 0.957 Q H 0.925 S H 0.908 L H 0.815 L H 0.476 T C 0.384 S S 0.317 K T 0.329 G S 0.291 Y E 0.705 T E 0.880 K E 0.894 L E 0.882 K E 0.788 N E 0.622 T E 0.534 I E 0.565 T E 0.587 E E 0.600 T E 0.755 M E 0.829 G E 0.836 L E 0.802 T E 0.841 V E 0.803 Y E 0.798 C E 0.539 L C 0.469 E G 0.359 K G 0.335 H G 0.378 L H 0.306 D T 0.312 Q H 0.261 N C 0.285 T C 0.251 L C 0.293 K C 0.511 N C 0.446 E C 0.366 T E 0.377 I E 0.440 I E 0.466 V E 0.419 T E 0.397 V C 0.281 D C 0.282 D T 0.270 Q T 0.486 K T 0.366 K C 0.451 S S 0.329 G E 0.367 G E 0.503 I E 0.875 V E 0.974 T E 0.983 S E 0.990 F E 0.975 T E 0.964 I E 0.871 Y E 0.407 N T 0.668 K S 0.316 R E 0.831 F E 0.935 S E 0.967 F E 0.979 T E 0.960 T E 0.911 S E 0.699 R E 0.538 M E 0.339 S C 0.280 D T 0.402 E T 0.493 D H 0.270 V H 0.344 T H 0.376 S H 0.525 T H 0.545 N H 0.563 T H 0.661 K H 0.823 Y H 0.874 A H 0.922 Y H 0.984 D H 0.989 T H 0.989 R H 0.985 L H 0.963 D H 0.806 Y H 0.535 S C 0.363 K C 0.301 K C 0.334 D C 0.439 D S 0.305 P T 0.409 S C 0.388 D E 0.435 F E 0.821 L E 0.959 F E 0.978 W E 0.955 I E 0.762 G E 0.543 D C 0.412 L T 0.384 N T 0.274 V C 0.282 R C 0.308 V C 0.378 E C 0.502 T C 0.331 N C 0.421 A H 0.779 T H 0.902 H H 0.935 A H 0.953 K H 0.958 S H 0.945 L H 0.920 V H 0.851 D H 0.760 Q H 0.549 N T 0.445 N C 0.445 I H 0.769 D H 0.835 G H 0.813 L H 0.817 M H 0.782 A H 0.749 F H 0.733 D H 0.675 Q H 0.722 L H 0.782 K H 0.834 K H 0.715 A H 0.652 K H 0.566 E T 0.444 Q T 0.422 K C 0.534 L C 0.367 F C 0.396 D C 0.286 G T 0.294 W C 0.345 T C 0.409 E C 0.463 P C 0.566 Q C 0.627 V C 0.863 T C 0.818 F C 0.477 K C 0.786 P C 0.474 T C 0.417 Y C 0.400 K C 0.514 F C 0.450 K C 0.594 P T 0.665 N T 0.673 T C 0.467 D C 0.346 E T 0.357 Y T 0.391 D T 0.384 L S 0.473 S C 0.547 A E 0.419 T C 0.559 P C 0.517 S C 0.427 W C 0.284 T E 0.361 D E 0.424 R E 0.584 A E 0.621 L E 0.669 Y E 0.639 K E 0.418 S C 0.316 G C 0.337 T C 0.468 G C 0.428 K C 0.287 T C 0.305 I E 0.413 Q E 0.496 P E 0.510 L E 0.487 S E 0.424 Y E 0.324 N C 0.255 S C 0.324 L C 0.430 T T 0.260 N E 0.288 Y E 0.425 K E 0.601 Q E 0.465 T C 0.439 E C 0.388 H S 0.536 R C 0.398 P E 0.468 V E 0.784 L E 0.893 A E 0.943 K E 0.967 F E 0.974 R E 0.955 V E 0.823 T E 0.635 L C 0.995 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 16 19:04:18 2002 Date: Tue, 16 Jul 2002 19:04:12 -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 18:36:59 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_483186_12198 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0142SS389_1 Current information on models submitted in prediction T0142SS389 MODEL_INDEX PIN CODE DATE E-mail T0142SS389_1 PIN_483186_12198 1549-8716-6404 07/16/02 18:36:59 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 T0142 MODEL_INDEX PIN CODE DATE E-mail T0142SS389_1 PIN_483186_12198 1549-8716-6404 07/16/02 18:36:59 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 T0142 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: 282 # Number of residues with nonzero confidence: 282 # Number of METHOD records: 46 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0142 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD preds/T0142.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD preds/T0142.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/T0142.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0142 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 T0142.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 61 METHOD METHOD ============================================ METHOD Comments from preds/T0142.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0142 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 T0142.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 61 METHOD METHOD ============================================ MODEL 1 G C 0.90 S C 0.90 P C 0.88 P C 0.76 A C 0.72 Q C 0.57 L E 0.70 S E 0.91 V E 0.96 H E 0.96 T E 0.95 V E 0.93 S E 0.82 W E 0.67 N E 0.53 S C 0.65 G C 0.85 H C 0.87 E C 0.81 R C 0.78 A C 0.86 P C 0.77 T C 0.65 N C 0.54 L H 0.57 E H 0.66 E H 0.72 L H 0.71 L H 0.60 G C 0.58 L C 0.77 N C 0.79 S C 0.76 G C 0.82 E C 0.85 T C 0.82 P C 0.77 D C 0.51 V E 0.95 I E 0.97 A E 0.97 V E 0.96 A E 0.84 V E 0.64 Q E 0.63 G E 0.58 F C 0.48 G C 0.55 F C 0.58 Q C 0.61 T C 0.60 D C 0.51 K C 0.52 P C 0.59 Q C 0.64 Q C 0.66 G C 0.63 P H 0.70 A H 0.79 C H 0.92 V H 0.94 K H 0.95 N H 0.96 F H 0.95 Q H 0.94 S H 0.92 L H 0.84 L H 0.57 T C 0.73 S C 0.79 K C 0.88 G C 0.79 Y E 0.76 T E 0.90 K E 0.91 L E 0.88 K E 0.78 N E 0.64 T E 0.57 I E 0.49 T E 0.52 E H 0.43 T E 0.52 M E 0.63 G E 0.69 L E 0.74 T E 0.79 V E 0.81 Y E 0.81 C E 0.67 L C 0.46 E H 0.56 K H 0.51 H H 0.50 L C 0.55 D C 0.58 Q C 0.47 N C 0.46 T C 0.51 L C 0.54 K C 0.63 N C 0.65 E C 0.51 T E 0.52 I E 0.54 I E 0.62 V E 0.58 T E 0.57 V C 0.45 D C 0.59 D C 0.61 Q C 0.72 K C 0.81 K C 0.81 S C 0.71 G E 0.49 G E 0.64 I E 0.90 V E 0.96 T E 0.97 S E 0.97 F E 0.96 T E 0.95 I E 0.90 Y E 0.52 N C 0.83 K C 0.60 R E 0.85 F E 0.93 S E 0.95 F E 0.96 T E 0.93 T E 0.82 S E 0.54 R E 0.42 M C 0.37 S C 0.49 D C 0.62 E C 0.83 D C 0.61 V C 0.51 T H 0.51 S H 0.70 T H 0.70 N H 0.73 T H 0.77 K H 0.87 Y H 0.90 A H 0.93 Y H 0.96 D H 0.97 T H 0.96 R H 0.96 L H 0.95 D H 0.85 Y H 0.68 S C 0.53 K C 0.71 K C 0.78 D C 0.81 D C 0.87 P C 0.84 S C 0.79 D C 0.59 F E 0.85 L E 0.95 F E 0.96 W E 0.94 I E 0.77 G E 0.53 D C 0.71 L C 0.69 N C 0.56 V C 0.45 R E 0.50 V C 0.50 E C 0.73 T C 0.80 N C 0.78 A H 0.73 T H 0.87 H H 0.92 A H 0.94 K H 0.95 S H 0.94 L H 0.93 V H 0.89 D H 0.83 Q H 0.66 N C 0.67 N C 0.74 I H 0.81 D H 0.86 G H 0.86 L H 0.81 M H 0.79 A H 0.81 F H 0.79 D H 0.72 Q H 0.80 L H 0.85 K H 0.88 K H 0.81 A H 0.77 K H 0.70 E C 0.56 Q C 0.80 K C 0.81 L C 0.67 F C 0.67 D C 0.70 G C 0.72 W C 0.61 T C 0.54 E C 0.56 P C 0.68 Q C 0.70 V C 0.77 T C 0.81 F C 0.78 K C 0.89 P C 0.87 T C 0.73 Y C 0.65 K C 0.61 F C 0.59 K C 0.71 P C 0.87 N C 0.91 T C 0.86 D C 0.78 E C 0.81 Y C 0.83 D C 0.85 L C 0.85 S C 0.82 A C 0.57 T C 0.68 P C 0.72 S C 0.70 W C 0.59 T C 0.60 D C 0.53 R E 0.61 A E 0.69 L E 0.74 Y E 0.69 K C 0.53 S C 0.79 G C 0.88 T C 0.86 G C 0.79 K C 0.70 T C 0.59 I E 0.46 Q E 0.60 P E 0.64 L E 0.59 S E 0.51 Y C 0.48 N C 0.56 S C 0.63 L C 0.70 T C 0.74 N C 0.65 Y C 0.54 K E 0.54 Q C 0.49 T C 0.67 E C 0.74 H C 0.78 R C 0.81 P C 0.62 V E 0.68 L E 0.87 A E 0.93 K E 0.95 F E 0.96 R E 0.92 V E 0.82 T E 0.62 L C 0.97 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 09:24:39 2002 Date: Thu, 25 Jul 2002 09:24:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0142 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 Thu Jul 25 08:57:08 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_703991_14734 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0142TS189_1 Current information on models submitted in prediction T0142TS189 MODEL_INDEX PIN CODE DATE E-mail T0142TS189_1 PIN_703991_14734 5035-2079-5263 07/25/02 08:57:08 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 T0142 MODEL_INDEX PIN CODE DATE E-mail T0142TS189_1 PIN_703991_14734 5035-2079-5263 07/25/02 08:57:08 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 T0142 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1I9Z_A # Loading PARENT structure: 1i9z (chain: A) # Number of residues in PARENT structure: 336 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue G 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 P 3 # IMPORTANT NOTE! Not complete main chain atoms for residue P 4 # IMPORTANT NOTE! Not complete main chain atoms for residue A 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue H 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue V 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue W 14 # IMPORTANT NOTE! Not complete main chain atoms for residue N 15 # IMPORTANT NOTE! Not complete main chain atoms for residue S 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue H 18 # IMPORTANT NOTE! Not complete main chain atoms for residue E 19 # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue N 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue N 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue V 39 # IMPORTANT NOTE! Not complete main chain atoms for residue I 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue F 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue F 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue C 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue N 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue K 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue T 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue T 83 # IMPORTANT NOTE! Not complete main chain atoms for residue M 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue C 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue K 93 # IMPORTANT NOTE! Not complete main chain atoms for residue H 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue D 96 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 97 # IMPORTANT NOTE! Not complete main chain atoms for residue N 98 # IMPORTANT NOTE! Not complete main chain atoms for residue T 99 # IMPORTANT NOTE! Not complete main chain atoms for residue L 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue N 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue T 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue V 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue K 113 # IMPORTANT NOTE! Not complete main chain atoms for residue K 114 # IMPORTANT NOTE! Not complete main chain atoms for residue S 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue G 117 # IMPORTANT NOTE! Not complete main chain atoms for residue I 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue F 122 # IMPORTANT NOTE! Not complete main chain atoms for residue T 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 125 # IMPORTANT NOTE! Not complete main chain atoms for residue N 126 # IMPORTANT NOTE! Not complete main chain atoms for residue K 127 # IMPORTANT NOTE! Not complete main chain atoms for residue R 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue F 131 # IMPORTANT NOTE! Not complete main chain atoms for residue T 132 # IMPORTANT NOTE! Not complete main chain atoms for residue T 133 # IMPORTANT NOTE! Not complete main chain atoms for residue S 134 # IMPORTANT NOTE! Not complete main chain atoms for residue R 135 # IMPORTANT NOTE! Not complete main chain atoms for residue M 136 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue T 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue T 144 # IMPORTANT NOTE! Not complete main chain atoms for residue N 145 # IMPORTANT NOTE! Not complete main chain atoms for residue T 146 # IMPORTANT NOTE! Not complete main chain atoms for residue K 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 150 # IMPORTANT NOTE! Not complete main chain atoms for residue D 151 # IMPORTANT NOTE! Not complete main chain atoms for residue T 152 # IMPORTANT NOTE! Not complete main chain atoms for residue R 153 # IMPORTANT NOTE! Not complete main chain atoms for residue L 154 # IMPORTANT NOTE! Not complete main chain atoms for residue D 155 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue K 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 159 # IMPORTANT NOTE! Not complete main chain atoms for residue D 160 # IMPORTANT NOTE! Not complete main chain atoms for residue D 161 # IMPORTANT NOTE! Not complete main chain atoms for residue P 162 # IMPORTANT NOTE! Not complete main chain atoms for residue S 163 # IMPORTANT NOTE! Not complete main chain atoms for residue D 164 # IMPORTANT NOTE! Not complete main chain atoms for residue F 165 # IMPORTANT NOTE! Not complete main chain atoms for residue L 166 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue W 168 # IMPORTANT NOTE! Not complete main chain atoms for residue I 169 # IMPORTANT NOTE! Not complete main chain atoms for residue G 170 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue N 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue V 176 # IMPORTANT NOTE! Not complete main chain atoms for residue E 177 # IMPORTANT NOTE! Not complete main chain atoms for residue T 178 # IMPORTANT NOTE! Not complete main chain atoms for residue N 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue T 181 # IMPORTANT NOTE! Not complete main chain atoms for residue H 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue K 184 # IMPORTANT NOTE! Not complete main chain atoms for residue S 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue D 188 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 189 # IMPORTANT NOTE! Not complete main chain atoms for residue N 190 # IMPORTANT NOTE! Not complete main chain atoms for residue N 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue D 193 # IMPORTANT NOTE! Not complete main chain atoms for residue G 194 # IMPORTANT NOTE! Not complete main chain atoms for residue L 195 # IMPORTANT NOTE! Not complete main chain atoms for residue M 196 # IMPORTANT NOTE! Not complete main chain atoms for residue A 197 # IMPORTANT NOTE! Not complete main chain atoms for residue F 198 # IMPORTANT NOTE! Not complete main chain atoms for residue D 199 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue K 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue A 204 # IMPORTANT NOTE! Not complete main chain atoms for residue K 205 # IMPORTANT NOTE! Not complete main chain atoms for residue E 206 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue D 211 # IMPORTANT NOTE! Not complete main chain atoms for residue G 212 # IMPORTANT NOTE! Not complete main chain atoms for residue W 213 # IMPORTANT NOTE! Not complete main chain atoms for residue T 214 # IMPORTANT NOTE! Not complete main chain atoms for residue E 215 # IMPORTANT NOTE! Not complete main chain atoms for residue P 216 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 217 # IMPORTANT NOTE! Not complete main chain atoms for residue V 218 # IMPORTANT NOTE! Not complete main chain atoms for residue T 219 # IMPORTANT NOTE! Not complete main chain atoms for residue F 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue P 222 # IMPORTANT NOTE! Not complete main chain atoms for residue T 223 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 224 # IMPORTANT NOTE! Not complete main chain atoms for residue K 225 # IMPORTANT NOTE! Not complete main chain atoms for residue F 226 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue P 228 # IMPORTANT NOTE! Not complete main chain atoms for residue N 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue E 232 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 233 # IMPORTANT NOTE! Not complete main chain atoms for residue D 234 # IMPORTANT NOTE! Not complete main chain atoms for residue L 235 # IMPORTANT NOTE! Not complete main chain atoms for residue S 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue T 238 # IMPORTANT NOTE! Not complete main chain atoms for residue P 239 # IMPORTANT NOTE! Not complete main chain atoms for residue S 240 # IMPORTANT NOTE! Not complete main chain atoms for residue W 241 # IMPORTANT NOTE! Not complete main chain atoms for residue T 242 # IMPORTANT NOTE! Not complete main chain atoms for residue D 243 # IMPORTANT NOTE! Not complete main chain atoms for residue R 244 # IMPORTANT NOTE! Not complete main chain atoms for residue A 245 # IMPORTANT NOTE! Not complete main chain atoms for residue L 246 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 247 # IMPORTANT NOTE! Not complete main chain atoms for residue K 248 # IMPORTANT NOTE! Not complete main chain atoms for residue S 249 # IMPORTANT NOTE! Not complete main chain atoms for residue G 250 # IMPORTANT NOTE! Not complete main chain atoms for residue T 251 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 256 # IMPORTANT NOTE! Not complete main chain atoms for residue P 257 # IMPORTANT NOTE! Not complete main chain atoms for residue L 258 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 260 # IMPORTANT NOTE! Not complete main chain atoms for residue N 261 # IMPORTANT NOTE! Not complete main chain atoms for residue S 262 # IMPORTANT NOTE! Not complete main chain atoms for residue L 263 # IMPORTANT NOTE! Not complete main chain atoms for residue N 265 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 266 # IMPORTANT NOTE! Not complete main chain atoms for residue K 267 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 268 # IMPORTANT NOTE! Not complete main chain atoms for residue T 269 # IMPORTANT NOTE! Not complete main chain atoms for residue E 270 # IMPORTANT NOTE! Not complete main chain atoms for residue H 271 # IMPORTANT NOTE! Not complete main chain atoms for residue R 272 # IMPORTANT NOTE! Not complete main chain atoms for residue P 273 # IMPORTANT NOTE! Not complete main chain atoms for residue V 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue A 276 # IMPORTANT NOTE! Not complete main chain atoms for residue K 277 # IMPORTANT NOTE! Not complete main chain atoms for residue F 278 # IMPORTANT NOTE! Not complete main chain atoms for residue R 279 # IMPORTANT NOTE! Not complete main chain atoms for residue V 280 # IMPORTANT NOTE! Not complete main chain atoms for residue T 281 # IMPORTANT NOTE! Not complete main chain atoms for residue L 282 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0142 # Total number of residues in target: 282 # Total number of residues in model: 267 # Total number of atoms in model: 267 # Number of atoms with 1.0 occupancy: 267 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 267 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0142 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1I9Z_A ATOM 540 CA GLY 1 -13.584 7.960 22.627 1.00 1.00 ATOM 554 CA PRO 3 -8.913 18.865 42.182 1.00 1.00 ATOM 555 CA PRO 4 -6.411 21.592 41.213 1.00 1.00 ATOM 556 CA ALA 5 -4.277 23.646 43.624 1.00 1.00 ATOM 557 CA GLN 6 -1.453 26.230 43.029 1.00 1.00 ATOM 558 CA LEU 7 1.769 25.627 44.995 1.00 1.00 ATOM 559 CA SER 8 4.277 28.547 45.424 1.00 1.00 ATOM 560 CA VAL 9 7.910 27.580 44.777 1.00 1.00 ATOM 561 CA HIS 10 11.004 29.651 45.606 1.00 1.00 ATOM 562 CA THR 11 14.189 28.698 43.773 1.00 1.00 ATOM 563 CA VAL 12 17.477 30.033 45.023 1.00 1.00 ATOM 564 CA SER 13 21.037 29.705 43.732 1.00 1.00 ATOM 565 CA TRP 14 24.417 30.764 45.137 1.00 1.00 ATOM 566 CA ASN 15 28.009 30.085 44.051 1.00 1.00 ATOM 567 CA SER 16 29.660 30.585 47.498 1.00 1.00 ATOM 568 CA GLY 17 33.314 30.700 46.541 1.00 1.00 ATOM 569 CA HIS 18 33.811 28.483 49.629 1.00 1.00 ATOM 570 CA GLU 19 32.492 31.110 52.083 1.00 1.00 ATOM 571 CA ARG 20 31.266 30.102 55.523 1.00 1.00 ATOM 572 CA ALA 21 27.724 29.059 56.342 1.00 1.00 ATOM 573 CA PRO 22 25.665 31.822 57.979 1.00 1.00 ATOM 574 CA THR 23 22.002 32.524 58.728 1.00 1.00 ATOM 575 CA ASN 24 22.498 36.094 57.539 1.00 1.00 ATOM 576 CA LEU 25 20.688 35.459 54.224 1.00 1.00 ATOM 577 CA GLU 26 17.423 37.319 54.773 1.00 1.00 ATOM 578 CA GLU 27 17.838 39.529 51.669 1.00 1.00 ATOM 579 CA LEU 28 18.241 36.422 49.580 1.00 1.00 ATOM 580 CA LEU 29 15.589 34.025 50.841 1.00 1.00 ATOM 581 CA GLY 30 12.883 36.564 51.919 1.00 1.00 ATOM 582 CA LEU 31 13.505 39.242 49.259 1.00 1.00 ATOM 583 CA ASN 32 9.934 40.186 48.607 1.00 1.00 ATOM 584 CA SER 33 7.163 41.467 50.761 1.00 1.00 ATOM 585 CA GLY 34 5.069 38.393 49.882 1.00 1.00 ATOM 586 CA GLU 35 3.966 35.160 51.540 1.00 1.00 ATOM 587 CA THR 36 6.545 32.483 52.308 1.00 1.00 ATOM 588 CA PRO 37 6.621 29.788 49.640 1.00 1.00 ATOM 589 CA ASP 38 5.334 26.242 50.046 1.00 1.00 ATOM 590 CA VAL 39 8.590 24.787 48.735 1.00 1.00 ATOM 591 CA ILE 40 12.089 26.261 48.903 1.00 1.00 ATOM 592 CA ALA 41 14.624 24.756 46.462 1.00 1.00 ATOM 593 CA VAL 42 18.167 25.889 47.253 1.00 1.00 ATOM 594 CA ALA 43 21.232 25.107 45.194 1.00 1.00 ATOM 595 CA VAL 44 24.788 25.943 46.178 1.00 1.00 ATOM 596 CA GLN 45 28.006 25.836 44.176 1.00 1.00 ATOM 597 CA GLY 46 31.544 25.848 45.633 1.00 1.00 ATOM 598 CA PHE 47 30.595 24.837 49.200 1.00 1.00 ATOM 599 CA GLY 48 34.362 24.310 49.138 1.00 1.00 ATOM 600 CA PHE 49 36.186 26.946 47.044 1.00 1.00 ATOM 601 CA GLN 50 37.598 25.513 43.809 1.00 1.00 ATOM 602 CA THR 51 41.396 25.718 43.170 1.00 1.00 ATOM 608 CA GLY 57 36.679 15.710 47.634 1.00 1.00 ATOM 615 CA PRO 58 25.070 20.338 56.666 1.00 1.00 ATOM 616 CA ALA 59 26.024 23.706 58.238 1.00 1.00 ATOM 617 CA CYS 60 24.245 25.420 55.345 1.00 1.00 ATOM 618 CA VAL 61 21.247 23.091 55.770 1.00 1.00 ATOM 619 CA LYS 62 21.048 23.964 59.425 1.00 1.00 ATOM 620 CA ASN 63 21.332 27.674 58.575 1.00 1.00 ATOM 621 CA PHE 64 18.567 27.626 55.977 1.00 1.00 ATOM 622 CA GLN 65 16.275 25.555 58.171 1.00 1.00 ATOM 623 CA SER 66 16.788 27.949 61.147 1.00 1.00 ATOM 624 CA LEU 67 16.042 30.894 58.937 1.00 1.00 ATOM 625 CA LEU 68 12.869 29.396 57.402 1.00 1.00 ATOM 626 CA THR 69 11.505 28.323 60.793 1.00 1.00 ATOM 632 CA SER 70 2.847 26.428 64.745 1.00 1.00 ATOM 633 CA LYS 71 4.557 24.166 62.100 1.00 1.00 ATOM 634 CA GLY 72 7.521 25.285 60.153 1.00 1.00 ATOM 635 CA TYR 73 9.503 23.795 57.371 1.00 1.00 ATOM 636 CA THR 74 11.229 20.468 57.111 1.00 1.00 ATOM 637 CA LYS 75 14.084 19.380 54.824 1.00 1.00 ATOM 638 CA LEU 76 12.721 16.832 52.437 1.00 1.00 ATOM 639 CA LYS 77 16.099 15.819 51.046 1.00 1.00 ATOM 640 CA ASN 78 19.545 17.089 50.014 1.00 1.00 ATOM 641 CA THR 79 22.174 15.838 47.625 1.00 1.00 ATOM 642 CA ILE 80 25.786 16.742 46.878 1.00 1.00 ATOM 643 CA THR 81 28.419 16.387 44.123 1.00 1.00 ATOM 644 CA GLU 82 31.732 17.701 45.376 1.00 1.00 ATOM 645 CA THR 83 30.988 21.397 46.100 1.00 1.00 ATOM 646 CA MET 84 27.591 21.495 44.413 1.00 1.00 ATOM 647 CA GLY 85 24.554 20.803 46.614 1.00 1.00 ATOM 648 CA LEU 86 20.768 20.847 46.318 1.00 1.00 ATOM 649 CA THR 87 18.460 20.921 49.296 1.00 1.00 ATOM 650 CA VAL 88 14.683 21.089 49.290 1.00 1.00 ATOM 651 CA TYR 89 12.472 22.305 52.173 1.00 1.00 ATOM 652 CA CYS 90 8.652 22.371 52.300 1.00 1.00 ATOM 653 CA LEU 91 5.986 23.416 54.751 1.00 1.00 ATOM 654 CA GLU 92 5.119 20.498 57.071 1.00 1.00 ATOM 655 CA LYS 93 1.564 20.806 55.743 1.00 1.00 ATOM 656 CA HIS 94 2.763 19.901 52.238 1.00 1.00 ATOM 657 CA LEU 95 4.322 16.636 53.326 1.00 1.00 ATOM 658 CA ASP 96 1.271 14.358 52.961 1.00 1.00 ATOM 659 CA GLN 97 1.090 15.388 49.297 1.00 1.00 ATOM 660 CA ASN 98 4.740 14.636 48.486 1.00 1.00 ATOM 661 CA THR 99 5.656 11.177 47.294 1.00 1.00 ATOM 662 CA LEU 100 8.288 9.214 45.328 1.00 1.00 ATOM 663 CA LYS 101 11.156 11.520 46.230 1.00 1.00 ATOM 666 CA ASN 102 20.816 11.538 41.839 1.00 1.00 ATOM 667 CA GLU 103 23.969 13.320 40.654 1.00 1.00 ATOM 668 CA THR 104 26.056 13.397 37.490 1.00 1.00 ATOM 669 CA ILE 105 29.591 14.649 37.065 1.00 1.00 ATOM 670 CA ILE 106 30.574 16.415 33.858 1.00 1.00 ATOM 671 CA VAL 107 33.204 14.879 31.649 1.00 1.00 ATOM 672 CA THR 108 34.858 16.269 28.540 1.00 1.00 ATOM 677 CA LYS 113 36.839 17.035 38.210 1.00 1.00 ATOM 678 CA LYS 114 34.636 19.193 40.393 1.00 1.00 ATOM 679 CA SER 115 31.776 20.116 37.961 1.00 1.00 ATOM 680 CA GLY 116 28.406 18.483 37.604 1.00 1.00 ATOM 681 CA GLY 117 24.803 18.300 38.652 1.00 1.00 ATOM 682 CA ILE 118 22.636 17.340 41.613 1.00 1.00 ATOM 683 CA VAL 119 18.969 16.537 41.090 1.00 1.00 ATOM 684 CA THR 120 15.914 15.742 43.245 1.00 1.00 ATOM 685 CA SER 121 12.427 14.946 41.868 1.00 1.00 ATOM 686 CA PHE 122 9.127 14.142 43.533 1.00 1.00 ATOM 687 CA THR 123 5.403 14.004 42.896 1.00 1.00 ATOM 688 CA ILE 124 3.175 16.607 44.543 1.00 1.00 ATOM 689 CA TYR 125 -0.174 14.805 44.496 1.00 1.00 ATOM 690 CA ASN 126 -0.286 13.596 40.867 1.00 1.00 ATOM 691 CA LYS 127 1.994 16.261 39.395 1.00 1.00 ATOM 692 CA ARG 128 5.718 15.443 38.834 1.00 1.00 ATOM 693 CA PHE 129 8.472 17.985 39.585 1.00 1.00 ATOM 694 CA SER 130 12.184 17.749 38.961 1.00 1.00 ATOM 695 CA PHE 131 14.819 20.130 40.270 1.00 1.00 ATOM 696 CA THR 132 18.397 20.269 39.075 1.00 1.00 ATOM 697 CA THR 133 21.253 22.489 40.180 1.00 1.00 ATOM 698 CA SER 134 24.659 22.466 38.369 1.00 1.00 ATOM 699 CA ARG 135 28.091 23.984 38.113 1.00 1.00 ATOM 700 CA MET 136 29.328 23.823 34.535 1.00 1.00 ATOM 701 CA SER 137 32.729 24.213 32.884 1.00 1.00 ATOM 702 CA ASP 138 34.533 27.492 33.687 1.00 1.00 ATOM 703 CA GLU 139 36.301 29.535 31.074 1.00 1.00 ATOM 704 CA ASP 140 35.776 32.625 28.979 1.00 1.00 ATOM 705 CA VAL 141 35.495 31.192 25.470 1.00 1.00 ATOM 706 CA THR 142 34.675 27.520 26.059 1.00 1.00 ATOM 707 CA SER 143 30.976 27.571 25.626 1.00 1.00 ATOM 708 CA THR 144 31.267 24.414 23.469 1.00 1.00 ATOM 709 CA ASN 145 32.415 22.600 26.620 1.00 1.00 ATOM 710 CA THR 146 29.455 23.999 28.634 1.00 1.00 ATOM 711 CA LYS 147 27.091 22.842 25.878 1.00 1.00 ATOM 712 CA TYR 148 28.715 19.403 26.084 1.00 1.00 ATOM 713 CA ALA 149 28.163 19.478 29.859 1.00 1.00 ATOM 714 CA TYR 150 24.493 20.156 29.282 1.00 1.00 ATOM 715 CA ASP 151 24.200 17.150 27.018 1.00 1.00 ATOM 716 CA THR 152 26.215 14.941 29.402 1.00 1.00 ATOM 717 CA ARG 153 23.958 15.789 32.293 1.00 1.00 ATOM 718 CA LEU 154 20.647 15.685 30.418 1.00 1.00 ATOM 719 CA ASP 155 21.512 12.175 29.116 1.00 1.00 ATOM 720 CA TYR 156 23.313 11.033 32.253 1.00 1.00 ATOM 721 CA SER 157 21.083 11.979 35.155 1.00 1.00 ATOM 722 CA LYS 158 18.883 8.986 35.974 1.00 1.00 ATOM 723 CA LYS 159 16.781 8.434 39.070 1.00 1.00 ATOM 729 CA ASP 160 14.743 14.422 34.141 1.00 1.00 ATOM 730 CA ASP 161 12.329 15.031 31.265 1.00 1.00 ATOM 731 CA PRO 162 9.650 12.671 32.467 1.00 1.00 ATOM 732 CA SER 163 8.039 15.447 34.626 1.00 1.00 ATOM 733 CA ASP 164 5.315 18.110 34.334 1.00 1.00 ATOM 734 CA PHE 165 7.722 20.779 35.643 1.00 1.00 ATOM 735 CA LEU 166 11.543 20.871 35.540 1.00 1.00 ATOM 736 CA PHE 167 13.695 23.760 36.930 1.00 1.00 ATOM 737 CA TRP 168 17.389 23.532 36.082 1.00 1.00 ATOM 738 CA ILE 169 19.656 26.202 37.484 1.00 1.00 ATOM 739 CA GLY 170 22.995 27.223 38.966 1.00 1.00 ATOM 740 CA ASP 171 26.382 28.526 37.838 1.00 1.00 ATOM 741 CA LEU 172 26.188 27.502 34.200 1.00 1.00 ATOM 742 CA ASN 173 29.283 29.652 33.619 1.00 1.00 ATOM 743 CA VAL 174 28.199 31.135 30.308 1.00 1.00 ATOM 744 CA ARG 175 29.825 34.505 29.631 1.00 1.00 ATOM 745 CA VAL 176 29.288 37.850 27.840 1.00 1.00 ATOM 746 CA GLU 177 31.518 37.777 24.750 1.00 1.00 ATOM 747 CA THR 178 32.931 41.341 25.041 1.00 1.00 ATOM 748 CA ASN 179 36.072 42.649 26.878 1.00 1.00 ATOM 749 CA ALA 180 36.184 43.904 30.476 1.00 1.00 ATOM 750 CA THR 181 36.566 47.481 29.284 1.00 1.00 ATOM 751 CA HIS 182 33.530 47.249 27.041 1.00 1.00 ATOM 752 CA ALA 183 31.358 45.501 29.611 1.00 1.00 ATOM 753 CA LYS 184 31.942 47.457 32.823 1.00 1.00 ATOM 754 CA SER 185 30.759 50.861 31.595 1.00 1.00 ATOM 755 CA LEU 186 27.801 49.303 29.886 1.00 1.00 ATOM 756 CA VAL 187 26.827 47.816 33.199 1.00 1.00 ATOM 757 CA ASP 188 27.300 51.112 34.983 1.00 1.00 ATOM 758 CA GLN 189 25.087 52.732 32.359 1.00 1.00 ATOM 759 CA ASN 190 22.299 50.190 32.559 1.00 1.00 ATOM 760 CA ASN 191 22.809 48.893 29.014 1.00 1.00 ATOM 761 CA ILE 192 21.781 45.350 29.919 1.00 1.00 ATOM 762 CA ASP 193 19.847 44.696 26.682 1.00 1.00 ATOM 763 CA GLY 194 22.989 45.414 24.685 1.00 1.00 ATOM 764 CA LEU 195 25.063 43.127 26.834 1.00 1.00 ATOM 765 CA MET 196 22.518 40.301 26.616 1.00 1.00 ATOM 766 CA ALA 197 23.035 40.339 22.833 1.00 1.00 ATOM 767 CA PHE 198 26.453 38.998 23.615 1.00 1.00 ATOM 768 CA ASP 199 25.420 36.466 26.300 1.00 1.00 ATOM 769 CA GLN 200 26.599 32.943 25.342 1.00 1.00 ATOM 770 CA LEU 201 23.738 31.123 27.019 1.00 1.00 ATOM 771 CA LYS 202 21.030 33.117 25.141 1.00 1.00 ATOM 772 CA LYS 203 22.946 32.513 21.907 1.00 1.00 ATOM 773 CA ALA 204 23.120 28.708 22.428 1.00 1.00 ATOM 774 CA LYS 205 19.552 28.374 23.637 1.00 1.00 ATOM 775 CA GLU 206 18.285 30.268 20.565 1.00 1.00 ATOM 777 CA GLN 207 18.141 24.679 20.268 1.00 1.00 ATOM 778 CA LYS 208 21.686 23.369 20.975 1.00 1.00 ATOM 779 CA LEU 209 21.236 23.526 24.807 1.00 1.00 ATOM 780 CA PHE 210 18.282 23.493 27.181 1.00 1.00 ATOM 781 CA ASP 211 15.682 23.000 24.430 1.00 1.00 ATOM 782 CA GLY 212 12.158 23.851 25.505 1.00 1.00 ATOM 783 CA TRP 213 13.487 25.684 28.574 1.00 1.00 ATOM 784 CA THR 214 12.598 29.322 29.134 1.00 1.00 ATOM 785 CA GLU 215 14.300 32.109 31.043 1.00 1.00 ATOM 786 CA PRO 216 12.564 35.248 32.241 1.00 1.00 ATOM 787 CA GLN 217 14.097 38.470 30.863 1.00 1.00 ATOM 788 CA VAL 218 17.158 39.484 32.939 1.00 1.00 ATOM 789 CA THR 219 16.804 42.896 34.527 1.00 1.00 ATOM 790 CA PHE 220 19.663 42.520 37.016 1.00 1.00 ATOM 791 CA LYS 221 23.374 43.191 36.456 1.00 1.00 ATOM 792 CA PRO 222 25.974 40.403 35.744 1.00 1.00 ATOM 793 CA THR 223 26.330 38.469 38.989 1.00 1.00 ATOM 794 CA TYR 224 29.931 37.640 38.398 1.00 1.00 ATOM 795 CA LYS 225 33.051 38.666 39.134 1.00 1.00 ATOM 796 CA PHE 226 32.953 40.965 42.112 1.00 1.00 ATOM 797 CA LYS 227 35.705 41.862 44.617 1.00 1.00 ATOM 798 CA PRO 228 34.511 40.154 47.797 1.00 1.00 ATOM 799 CA ASN 229 32.514 42.468 50.147 1.00 1.00 ATOM 800 CA THR 230 32.040 45.234 47.560 1.00 1.00 ATOM 801 CA ASP 231 29.960 46.493 44.568 1.00 1.00 ATOM 802 CA GLU 232 33.078 46.496 42.449 1.00 1.00 ATOM 803 CA TYR 233 33.793 44.210 39.494 1.00 1.00 ATOM 804 CA ASP 234 37.042 42.255 39.654 1.00 1.00 ATOM 805 CA LEU 235 39.963 44.648 40.210 1.00 1.00 ATOM 806 CA SER 236 42.469 41.758 40.483 1.00 1.00 ATOM 810 CA ALA 237 37.615 38.649 34.697 1.00 1.00 ATOM 811 CA THR 238 34.996 39.973 32.325 1.00 1.00 ATOM 812 CA PRO 239 31.602 40.343 34.086 1.00 1.00 ATOM 813 CA SER 240 28.965 37.766 33.173 1.00 1.00 ATOM 814 CA TRP 241 25.522 36.375 33.940 1.00 1.00 ATOM 815 CA THR 242 27.081 33.055 35.121 1.00 1.00 ATOM 816 CA ASP 243 24.117 32.274 37.493 1.00 1.00 ATOM 817 CA ARG 244 20.821 31.330 35.841 1.00 1.00 ATOM 818 CA ALA 245 17.472 29.706 36.497 1.00 1.00 ATOM 819 CA LEU 246 15.631 28.060 33.562 1.00 1.00 ATOM 820 CA TYR 247 12.315 26.143 33.603 1.00 1.00 ATOM 821 CA LYS 248 10.536 23.715 31.404 1.00 1.00 ATOM 822 CA SER 249 6.832 22.952 31.524 1.00 1.00 ATOM 823 CA GLY 250 3.805 25.040 32.458 1.00 1.00 ATOM 824 CA THR 251 5.039 26.828 35.561 1.00 1.00 ATOM 825 CA GLN 256 3.847 30.420 35.989 1.00 1.00 ATOM 826 CA PRO 257 7.004 32.544 36.555 1.00 1.00 ATOM 827 CA LEU 258 6.957 35.593 38.682 1.00 1.00 ATOM 828 CA SER 259 10.262 37.062 39.867 1.00 1.00 ATOM 829 CA TYR 260 13.860 36.557 38.724 1.00 1.00 ATOM 830 CA ASN 261 16.481 38.633 40.495 1.00 1.00 ATOM 831 CA SER 262 19.967 38.869 41.990 1.00 1.00 ATOM 832 CA LEU 263 20.310 39.992 45.629 1.00 1.00 ATOM 833 CA ASN 265 22.943 42.104 47.297 1.00 1.00 ATOM 834 CA TYR 266 24.881 39.578 49.480 1.00 1.00 ATOM 835 CA LYS 267 28.651 40.127 49.484 1.00 1.00 ATOM 836 CA GLN 268 30.197 36.979 50.945 1.00 1.00 ATOM 837 CA THR 269 31.289 35.660 47.573 1.00 1.00 ATOM 838 CA GLU 270 32.649 36.850 44.217 1.00 1.00 ATOM 839 CA HIS 271 29.166 35.967 42.832 1.00 1.00 ATOM 840 CA ARG 272 25.808 37.476 43.830 1.00 1.00 ATOM 841 CA PRO 273 23.095 34.969 44.756 1.00 1.00 ATOM 842 CA VAL 274 19.893 34.887 42.642 1.00 1.00 ATOM 843 CA LEU 275 16.344 33.573 42.979 1.00 1.00 ATOM 844 CA ALA 276 13.225 32.953 40.916 1.00 1.00 ATOM 845 CA LYS 277 9.625 32.410 42.047 1.00 1.00 ATOM 846 CA PHE 278 6.884 30.267 40.483 1.00 1.00 ATOM 847 CA ARG 279 3.311 29.160 40.936 1.00 1.00 ATOM 848 CA VAL 280 2.859 25.518 40.051 1.00 1.00 ATOM 849 CA THR 281 -0.572 24.128 39.316 1.00 1.00 ATOM 850 CA LEU 282 -0.975 20.746 40.989 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 09:25:08 2002 Date: Thu, 25 Jul 2002 09:25:02 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0142 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 Thu Jul 25 08:57:38 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_703909_14736 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0142TS189_2 Current information on models submitted in prediction T0142TS189 MODEL_INDEX PIN CODE DATE E-mail T0142TS189_2 PIN_703909_14736 5035-2079-5263 07/25/02 08:57:38 casp5@bialko.llnl.gov T0142TS189_1 PIN_703991_14734 5035-2079-5263 07/25/02 08:57:08 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 T0142 MODEL_INDEX PIN CODE DATE E-mail T0142TS189_1 PIN_703991_14734 5035-2079-5263 07/25/02 08:57:08 casp5@bialko.llnl.gov T0142TS189_2 PIN_703909_14736 5035-2079-5263 07/25/02 08:57:38 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 T0142 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1AKO # Loading PARENT structure: 1ako (chain: ) # Number of residues in PARENT structure: 268 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue V 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue W 14 # IMPORTANT NOTE! Not complete main chain atoms for residue N 15 # IMPORTANT NOTE! Not complete main chain atoms for residue S 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue H 18 # IMPORTANT NOTE! Not complete main chain atoms for residue E 19 # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue N 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue G 34 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue F 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue F 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 50 # IMPORTANT NOTE! Not complete main chain atoms for residue T 51 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue K 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue C 60 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue K 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue T 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue T 83 # IMPORTANT NOTE! Not complete main chain atoms for residue M 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue C 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 91 # IMPORTANT NOTE! Not complete main chain atoms for residue E 92 # IMPORTANT NOTE! Not complete main chain atoms for residue K 93 # IMPORTANT NOTE! Not complete main chain atoms for residue H 94 # IMPORTANT NOTE! Not complete main chain atoms for residue L 95 # IMPORTANT NOTE! Not complete main chain atoms for residue D 96 # IMPORTANT NOTE! Not complete main chain atoms for residue T 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue V 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue V 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue D 111 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 112 # IMPORTANT NOTE! Not complete main chain atoms for residue K 114 # IMPORTANT NOTE! Not complete main chain atoms for residue S 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue G 117 # IMPORTANT NOTE! Not complete main chain atoms for residue I 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue F 122 # IMPORTANT NOTE! Not complete main chain atoms for residue T 123 # IMPORTANT NOTE! Not complete main chain atoms for residue I 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 125 # IMPORTANT NOTE! Not complete main chain atoms for residue N 126 # IMPORTANT NOTE! Not complete main chain atoms for residue K 127 # IMPORTANT NOTE! Not complete main chain atoms for residue R 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue F 131 # IMPORTANT NOTE! Not complete main chain atoms for residue T 132 # IMPORTANT NOTE! Not complete main chain atoms for residue T 133 # IMPORTANT NOTE! Not complete main chain atoms for residue S 134 # IMPORTANT NOTE! Not complete main chain atoms for residue R 135 # IMPORTANT NOTE! Not complete main chain atoms for residue M 136 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue T 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue T 144 # IMPORTANT NOTE! Not complete main chain atoms for residue N 145 # IMPORTANT NOTE! Not complete main chain atoms for residue T 146 # IMPORTANT NOTE! Not complete main chain atoms for residue K 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 150 # IMPORTANT NOTE! Not complete main chain atoms for residue D 151 # IMPORTANT NOTE! Not complete main chain atoms for residue T 152 # IMPORTANT NOTE! Not complete main chain atoms for residue R 153 # IMPORTANT NOTE! Not complete main chain atoms for residue L 154 # IMPORTANT NOTE! Not complete main chain atoms for residue D 155 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue K 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 159 # IMPORTANT NOTE! Not complete main chain atoms for residue D 160 # IMPORTANT NOTE! Not complete main chain atoms for residue D 161 # IMPORTANT NOTE! Not complete main chain atoms for residue P 162 # IMPORTANT NOTE! Not complete main chain atoms for residue S 163 # IMPORTANT NOTE! Not complete main chain atoms for residue D 164 # IMPORTANT NOTE! Not complete main chain atoms for residue F 165 # IMPORTANT NOTE! Not complete main chain atoms for residue L 166 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue W 168 # IMPORTANT NOTE! Not complete main chain atoms for residue I 169 # IMPORTANT NOTE! Not complete main chain atoms for residue G 170 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue N 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue V 176 # IMPORTANT NOTE! Not complete main chain atoms for residue E 177 # IMPORTANT NOTE! Not complete main chain atoms for residue T 178 # IMPORTANT NOTE! Not complete main chain atoms for residue N 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue T 181 # IMPORTANT NOTE! Not complete main chain atoms for residue H 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue K 184 # IMPORTANT NOTE! Not complete main chain atoms for residue S 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue D 188 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 189 # IMPORTANT NOTE! Not complete main chain atoms for residue N 190 # IMPORTANT NOTE! Not complete main chain atoms for residue N 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue D 193 # IMPORTANT NOTE! Not complete main chain atoms for residue G 194 # IMPORTANT NOTE! Not complete main chain atoms for residue L 195 # IMPORTANT NOTE! Not complete main chain atoms for residue M 196 # IMPORTANT NOTE! Not complete main chain atoms for residue A 197 # IMPORTANT NOTE! Not complete main chain atoms for residue F 198 # IMPORTANT NOTE! Not complete main chain atoms for residue D 199 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue K 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue A 204 # IMPORTANT NOTE! Not complete main chain atoms for residue K 205 # IMPORTANT NOTE! Not complete main chain atoms for residue E 206 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue D 211 # IMPORTANT NOTE! Not complete main chain atoms for residue G 212 # IMPORTANT NOTE! Not complete main chain atoms for residue W 213 # IMPORTANT NOTE! Not complete main chain atoms for residue T 214 # IMPORTANT NOTE! Not complete main chain atoms for residue E 215 # IMPORTANT NOTE! Not complete main chain atoms for residue P 216 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue P 228 # IMPORTANT NOTE! Not complete main chain atoms for residue N 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue E 232 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 233 # IMPORTANT NOTE! Not complete main chain atoms for residue D 234 # IMPORTANT NOTE! Not complete main chain atoms for residue L 235 # IMPORTANT NOTE! Not complete main chain atoms for residue S 236 # IMPORTANT NOTE! Not complete main chain atoms for residue I 255 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 256 # IMPORTANT NOTE! Not complete main chain atoms for residue P 257 # IMPORTANT NOTE! Not complete main chain atoms for residue L 258 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 260 # IMPORTANT NOTE! Not complete main chain atoms for residue N 261 # IMPORTANT NOTE! Not complete main chain atoms for residue S 262 # IMPORTANT NOTE! Not complete main chain atoms for residue L 263 # IMPORTANT NOTE! Not complete main chain atoms for residue T 264 # IMPORTANT NOTE! Not complete main chain atoms for residue N 265 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 266 # IMPORTANT NOTE! Not complete main chain atoms for residue K 267 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 268 # IMPORTANT NOTE! Not complete main chain atoms for residue T 269 # IMPORTANT NOTE! Not complete main chain atoms for residue E 270 # IMPORTANT NOTE! Not complete main chain atoms for residue H 271 # IMPORTANT NOTE! Not complete main chain atoms for residue R 272 # IMPORTANT NOTE! Not complete main chain atoms for residue P 273 # IMPORTANT NOTE! Not complete main chain atoms for residue V 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue A 276 # IMPORTANT NOTE! Not complete main chain atoms for residue K 277 # IMPORTANT NOTE! Not complete main chain atoms for residue F 278 # IMPORTANT NOTE! Not complete main chain atoms for residue R 279 # IMPORTANT NOTE! Not complete main chain atoms for residue V 280 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0142 # Total number of residues in target: 282 # Total number of residues in model: 221 # Total number of atoms in model: 221 # Number of atoms with 1.0 occupancy: 221 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 221 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0142 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1AKO ATOM 1 CA VAL 9 21.175 22.975 18.256 1.00 1.00 ATOM 2 CA HIS 10 23.083 19.965 16.910 1.00 1.00 ATOM 3 CA THR 11 25.023 20.038 13.651 1.00 1.00 ATOM 4 CA VAL 12 26.312 17.051 11.711 1.00 1.00 ATOM 5 CA SER 13 28.657 17.279 8.726 1.00 1.00 ATOM 6 CA TRP 14 29.100 14.248 6.470 1.00 1.00 ATOM 7 CA ASN 15 30.922 13.689 3.202 1.00 1.00 ATOM 8 CA SER 16 28.587 10.930 2.023 1.00 1.00 ATOM 9 CA GLY 17 30.538 10.262 -1.172 1.00 1.00 ATOM 10 CA HIS 18 27.451 9.392 -3.221 1.00 1.00 ATOM 11 CA GLU 19 24.105 10.249 -1.648 1.00 1.00 ATOM 12 CA ARG 20 22.033 7.833 -3.745 1.00 1.00 ATOM 13 CA ALA 21 24.439 4.983 -3.021 1.00 1.00 ATOM 14 CA PRO 22 24.134 5.450 0.750 1.00 1.00 ATOM 15 CA THR 23 20.593 6.298 1.938 1.00 1.00 ATOM 16 CA ASN 24 21.220 3.855 4.782 1.00 1.00 ATOM 17 CA LEU 25 23.936 6.008 6.348 1.00 1.00 ATOM 18 CA GLU 26 21.844 9.185 6.121 1.00 1.00 ATOM 19 CA GLU 27 18.938 7.445 7.901 1.00 1.00 ATOM 20 CA LEU 28 21.360 6.155 10.548 1.00 1.00 ATOM 21 CA LEU 29 22.578 9.708 11.231 1.00 1.00 ATOM 22 CA GLY 30 18.983 10.936 11.612 1.00 1.00 ATOM 23 CA LEU 31 17.938 8.044 13.874 1.00 1.00 ATOM 26 CA GLY 34 18.285 13.605 15.520 1.00 1.00 ATOM 27 CA PRO 37 20.294 16.645 14.305 1.00 1.00 ATOM 28 CA ASP 38 18.828 20.103 13.682 1.00 1.00 ATOM 29 CA ALA 41 21.135 20.732 10.723 1.00 1.00 ATOM 30 CA VAL 42 22.956 18.271 8.445 1.00 1.00 ATOM 31 CA ALA 43 25.544 19.398 5.893 1.00 1.00 ATOM 32 CA VAL 44 26.369 16.871 3.163 1.00 1.00 ATOM 33 CA GLN 45 29.326 16.958 0.782 1.00 1.00 ATOM 34 CA GLY 46 30.135 14.964 -2.341 1.00 1.00 ATOM 35 CA PHE 47 26.514 14.011 -2.931 1.00 1.00 ATOM 36 CA GLY 48 27.429 13.325 -6.610 1.00 1.00 ATOM 37 CA PHE 49 23.853 13.656 -7.830 1.00 1.00 ATOM 38 CA GLN 50 22.320 15.907 -10.455 1.00 1.00 ATOM 39 CA THR 51 19.665 18.304 -9.112 1.00 1.00 ATOM 40 CA ASP 52 16.886 16.702 -11.195 1.00 1.00 ATOM 41 CA LYS 53 17.755 13.370 -9.535 1.00 1.00 ATOM 42 CA PRO 54 18.025 14.588 -5.922 1.00 1.00 ATOM 43 CA GLN 55 15.927 12.478 -3.421 1.00 1.00 ATOM 44 CA GLN 56 13.581 15.346 -2.495 1.00 1.00 ATOM 45 CA GLY 57 10.649 13.175 -1.380 1.00 1.00 ATOM 46 CA PRO 58 12.928 10.907 0.640 1.00 1.00 ATOM 47 CA ALA 59 14.517 13.834 2.445 1.00 1.00 ATOM 48 CA CYS 60 11.103 15.426 3.053 1.00 1.00 ATOM 49 CA SER 70 9.917 12.120 4.521 1.00 1.00 ATOM 50 CA LYS 71 12.850 12.260 6.969 1.00 1.00 ATOM 51 CA GLY 72 11.407 15.554 8.231 1.00 1.00 ATOM 52 CA TYR 73 13.868 18.015 6.700 1.00 1.00 ATOM 53 CA THR 74 13.816 21.113 4.529 1.00 1.00 ATOM 54 CA LYS 75 16.631 20.885 2.008 1.00 1.00 ATOM 55 CA LEU 76 18.714 23.171 -0.182 1.00 1.00 ATOM 56 CA LYS 77 21.164 21.610 -2.601 1.00 1.00 ATOM 57 CA ASN 78 23.195 21.793 -5.787 1.00 1.00 ATOM 58 CA THR 79 25.492 19.395 -7.638 1.00 1.00 ATOM 59 CA ILE 80 26.076 17.645 -10.957 1.00 1.00 ATOM 60 CA THR 81 26.062 13.997 -12.093 1.00 1.00 ATOM 61 CA GLU 82 28.888 12.009 -10.521 1.00 1.00 ATOM 62 CA THR 83 30.885 14.970 -9.171 1.00 1.00 ATOM 63 CA MET 84 30.912 17.468 -6.278 1.00 1.00 ATOM 64 CA GLY 85 27.578 18.363 -4.745 1.00 1.00 ATOM 65 CA LEU 86 26.436 19.780 -1.423 1.00 1.00 ATOM 66 CA THR 87 23.125 19.845 0.450 1.00 1.00 ATOM 67 CA VAL 88 21.993 21.491 3.660 1.00 1.00 ATOM 68 CA TYR 89 19.168 19.766 5.549 1.00 1.00 ATOM 69 CA CYS 90 17.445 21.807 8.243 1.00 1.00 ATOM 70 CA LEU 91 14.526 21.051 10.579 1.00 1.00 ATOM 71 CA GLU 92 13.606 24.763 10.801 1.00 1.00 ATOM 72 CA LYS 93 13.168 27.043 7.777 1.00 1.00 ATOM 73 CA HIS 94 16.132 29.350 7.098 1.00 1.00 ATOM 74 CA LEU 95 15.814 33.107 6.720 1.00 1.00 ATOM 75 CA ASP 96 18.067 32.979 3.649 1.00 1.00 ATOM 76 CA THR 104 20.061 30.374 1.783 1.00 1.00 ATOM 77 CA ILE 105 22.252 30.433 -1.322 1.00 1.00 ATOM 78 CA ILE 106 24.762 28.370 -3.249 1.00 1.00 ATOM 79 CA VAL 107 28.295 29.729 -3.444 1.00 1.00 ATOM 80 CA THR 108 29.377 33.099 -2.028 1.00 1.00 ATOM 81 CA VAL 109 28.088 36.116 -3.993 1.00 1.00 ATOM 82 CA ASP 110 29.958 36.352 -7.282 1.00 1.00 ATOM 83 CA ASP 111 31.130 32.699 -7.276 1.00 1.00 ATOM 84 CA GLN 112 31.316 30.675 -10.484 1.00 1.00 ATOM 88 CA LYS 114 28.183 26.843 -6.446 1.00 1.00 ATOM 89 CA SER 115 28.369 23.028 -6.419 1.00 1.00 ATOM 90 CA GLY 116 30.703 23.174 -3.399 1.00 1.00 ATOM 91 CA GLY 117 29.229 25.750 -1.014 1.00 1.00 ATOM 92 CA ILE 118 25.858 26.407 0.588 1.00 1.00 ATOM 93 CA VAL 119 25.428 29.292 3.017 1.00 1.00 ATOM 94 CA THR 120 22.400 29.926 5.244 1.00 1.00 ATOM 95 CA SER 121 21.060 32.160 7.993 1.00 1.00 ATOM 96 CA PHE 122 19.323 29.975 10.595 1.00 1.00 ATOM 97 CA THR 123 17.070 31.701 13.133 1.00 1.00 ATOM 98 CA ILE 124 17.259 31.314 16.906 1.00 1.00 ATOM 99 CA TYR 125 15.163 33.180 19.487 1.00 1.00 ATOM 100 CA ASN 126 17.647 36.004 20.090 1.00 1.00 ATOM 101 CA LYS 127 19.672 36.115 16.870 1.00 1.00 ATOM 102 CA ARG 128 20.673 34.423 13.625 1.00 1.00 ATOM 103 CA PHE 129 23.413 31.868 13.082 1.00 1.00 ATOM 104 CA SER 130 25.294 31.992 9.782 1.00 1.00 ATOM 105 CA PHE 131 26.046 28.470 8.602 1.00 1.00 ATOM 106 CA THR 132 28.468 27.688 5.786 1.00 1.00 ATOM 107 CA THR 133 28.691 24.126 4.445 1.00 1.00 ATOM 108 CA SER 134 31.617 23.533 2.135 1.00 1.00 ATOM 109 CA ARG 135 33.230 20.779 0.097 1.00 1.00 ATOM 110 CA MET 136 36.747 22.181 -0.229 1.00 1.00 ATOM 111 CA SER 137 38.955 21.162 -3.222 1.00 1.00 ATOM 112 CA ASP 138 41.279 18.282 -2.333 1.00 1.00 ATOM 113 CA GLU 139 44.129 19.885 -4.332 1.00 1.00 ATOM 114 CA ASP 140 45.909 16.618 -5.193 1.00 1.00 ATOM 115 CA VAL 141 49.472 17.950 -5.142 1.00 1.00 ATOM 116 CA THR 142 51.360 21.222 -4.859 1.00 1.00 ATOM 122 CA SER 143 46.148 23.389 -6.224 1.00 1.00 ATOM 123 CA THR 144 45.449 26.986 -7.335 1.00 1.00 ATOM 124 CA ASN 145 41.752 26.075 -7.205 1.00 1.00 ATOM 125 CA THR 146 42.175 25.058 -3.562 1.00 1.00 ATOM 126 CA LYS 147 44.146 28.222 -2.682 1.00 1.00 ATOM 127 CA TYR 148 41.521 30.412 -4.352 1.00 1.00 ATOM 128 CA ALA 149 38.688 28.616 -2.575 1.00 1.00 ATOM 129 CA TYR 150 40.209 29.444 0.810 1.00 1.00 ATOM 130 CA ASP 151 40.946 33.010 -0.315 1.00 1.00 ATOM 131 CA THR 152 37.265 33.484 -1.296 1.00 1.00 ATOM 132 CA ARG 153 36.123 32.198 2.095 1.00 1.00 ATOM 133 CA LEU 154 38.588 34.453 3.943 1.00 1.00 ATOM 134 CA ASP 155 37.464 37.478 1.939 1.00 1.00 ATOM 135 CA TYR 156 33.786 36.749 2.600 1.00 1.00 ATOM 136 CA SER 157 34.437 36.481 6.336 1.00 1.00 ATOM 137 CA LYS 158 36.447 39.696 6.491 1.00 1.00 ATOM 138 CA LYS 159 34.140 41.809 4.355 1.00 1.00 ATOM 140 CA ASP 160 30.871 39.068 8.881 1.00 1.00 ATOM 141 CA ASP 161 32.077 40.016 12.362 1.00 1.00 ATOM 142 CA PRO 162 33.921 37.702 14.758 1.00 1.00 ATOM 143 CA SER 163 31.248 38.578 17.322 1.00 1.00 ATOM 144 CA ASP 164 28.455 37.117 15.177 1.00 1.00 ATOM 145 CA PHE 165 27.519 33.423 15.608 1.00 1.00 ATOM 146 CA LEU 166 29.163 31.680 12.665 1.00 1.00 ATOM 147 CA PHE 167 29.564 27.971 11.989 1.00 1.00 ATOM 148 CA TRP 168 31.741 26.702 9.137 1.00 1.00 ATOM 149 CA ILE 169 31.507 22.963 8.532 1.00 1.00 ATOM 150 CA GLY 170 32.556 20.548 5.868 1.00 1.00 ATOM 151 CA ASP 171 35.327 18.547 4.306 1.00 1.00 ATOM 152 CA LEU 172 38.229 21.021 4.520 1.00 1.00 ATOM 153 CA ASN 173 40.721 18.588 3.034 1.00 1.00 ATOM 159 CA VAL 174 47.555 15.488 16.028 1.00 1.00 ATOM 160 CA ARG 175 45.156 15.128 13.051 1.00 1.00 ATOM 161 CA VAL 176 47.495 12.820 11.086 1.00 1.00 ATOM 162 CA GLU 177 47.327 9.095 11.757 1.00 1.00 ATOM 163 CA THR 178 48.782 7.612 8.577 1.00 1.00 ATOM 164 CA ASN 179 52.192 7.096 10.188 1.00 1.00 ATOM 165 CA ALA 180 55.458 9.061 10.343 1.00 1.00 ATOM 166 CA THR 181 57.060 7.572 7.251 1.00 1.00 ATOM 167 CA HIS 182 53.944 8.197 5.183 1.00 1.00 ATOM 168 CA ALA 183 53.573 11.716 6.557 1.00 1.00 ATOM 169 CA LYS 184 57.118 12.556 5.465 1.00 1.00 ATOM 170 CA SER 185 56.744 10.923 2.042 1.00 1.00 ATOM 171 CA LEU 186 53.591 12.988 1.378 1.00 1.00 ATOM 172 CA VAL 187 55.428 16.190 2.308 1.00 1.00 ATOM 173 CA ASP 188 58.467 15.224 0.210 1.00 1.00 ATOM 174 CA GLN 189 56.298 14.549 -2.837 1.00 1.00 ATOM 175 CA ASN 190 54.023 17.556 -2.257 1.00 1.00 ATOM 176 CA ASN 191 50.846 15.491 -1.821 1.00 1.00 ATOM 177 CA ILE 192 48.006 17.635 -0.397 1.00 1.00 ATOM 178 CA ASP 193 46.448 17.541 3.093 1.00 1.00 ATOM 179 CA GLY 194 49.037 19.002 5.454 1.00 1.00 ATOM 180 CA LEU 195 51.534 21.013 3.389 1.00 1.00 ATOM 181 CA MET 196 52.980 24.179 5.003 1.00 1.00 ATOM 182 CA ALA 197 51.073 26.381 2.512 1.00 1.00 ATOM 183 CA PHE 198 47.830 24.596 3.358 1.00 1.00 ATOM 184 CA ASP 199 48.444 25.054 7.084 1.00 1.00 ATOM 185 CA GLN 200 48.997 28.773 6.392 1.00 1.00 ATOM 186 CA LEU 201 45.517 29.077 4.850 1.00 1.00 ATOM 187 CA LYS 202 44.021 27.205 7.774 1.00 1.00 ATOM 188 CA LYS 203 45.847 29.358 10.344 1.00 1.00 ATOM 189 CA ALA 204 44.662 32.517 8.617 1.00 1.00 ATOM 190 CA LYS 205 41.082 31.191 8.739 1.00 1.00 ATOM 191 CA GLU 206 41.299 30.348 12.467 1.00 1.00 ATOM 193 CA GLN 207 39.745 35.470 11.954 1.00 1.00 ATOM 194 CA LYS 208 38.189 34.153 15.163 1.00 1.00 ATOM 195 CA LEU 209 37.184 30.510 14.722 1.00 1.00 ATOM 196 CA PHE 210 37.541 27.571 17.114 1.00 1.00 ATOM 197 CA ASP 211 38.017 23.978 15.921 1.00 1.00 ATOM 198 CA GLY 212 35.273 22.487 18.113 1.00 1.00 ATOM 199 CA TRP 213 36.554 18.911 18.304 1.00 1.00 ATOM 200 CA THR 214 40.153 19.975 18.922 1.00 1.00 ATOM 201 CA GLU 215 39.143 22.497 21.587 1.00 1.00 ATOM 202 CA PRO 216 37.116 19.884 23.477 1.00 1.00 ATOM 203 CA LYS 227 39.797 17.238 22.994 1.00 1.00 ATOM 204 CA PRO 228 43.081 19.149 23.185 1.00 1.00 ATOM 205 CA ASN 229 45.400 16.119 23.414 1.00 1.00 ATOM 206 CA THR 230 43.575 13.434 21.401 1.00 1.00 ATOM 207 CA ASP 231 45.781 12.078 18.614 1.00 1.00 ATOM 208 CA GLU 232 43.760 9.006 17.639 1.00 1.00 ATOM 209 CA TYR 233 40.467 10.294 16.181 1.00 1.00 ATOM 210 CA ASP 234 40.188 10.800 12.444 1.00 1.00 ATOM 211 CA LEU 235 37.388 11.494 9.975 1.00 1.00 ATOM 212 CA SER 236 38.742 10.073 6.728 1.00 1.00 ATOM 243 CA ILE 255 29.532 17.897 22.895 1.00 1.00 ATOM 244 CA GLN 256 31.666 17.016 19.877 1.00 1.00 ATOM 245 CA PRO 257 32.437 13.738 18.163 1.00 1.00 ATOM 246 CA LEU 258 33.362 11.675 15.136 1.00 1.00 ATOM 247 CA SER 259 31.058 8.726 14.519 1.00 1.00 ATOM 248 CA TYR 260 33.122 5.561 14.100 1.00 1.00 ATOM 249 CA ASN 261 29.984 3.457 14.485 1.00 1.00 ATOM 250 CA SER 262 28.446 4.888 11.307 1.00 1.00 ATOM 251 CA LEU 263 31.782 4.474 9.505 1.00 1.00 ATOM 252 CA THR 264 31.522 0.779 10.555 1.00 1.00 ATOM 253 CA ASN 265 28.368 0.207 8.475 1.00 1.00 ATOM 254 CA TYR 266 28.110 -1.826 5.291 1.00 1.00 ATOM 255 CA LYS 267 28.899 0.002 2.005 1.00 1.00 ATOM 256 CA GLN 268 30.112 3.066 3.932 1.00 1.00 ATOM 257 CA THR 269 31.495 6.394 2.752 1.00 1.00 ATOM 258 CA GLU 270 35.254 6.706 3.348 1.00 1.00 ATOM 259 CA HIS 271 34.437 9.599 5.710 1.00 1.00 ATOM 260 CA ARG 272 32.967 9.333 9.207 1.00 1.00 ATOM 261 CA PRO 273 30.281 11.891 10.124 1.00 1.00 ATOM 262 CA VAL 274 31.390 14.604 12.569 1.00 1.00 ATOM 263 CA LEU 275 29.135 16.590 14.906 1.00 1.00 ATOM 264 CA ALA 276 28.950 19.412 17.466 1.00 1.00 ATOM 265 CA LYS 277 26.142 20.216 19.896 1.00 1.00 ATOM 266 CA PHE 278 25.504 23.756 21.113 1.00 1.00 ATOM 267 CA ARG 279 23.306 24.332 24.141 1.00 1.00 ATOM 268 CA VAL 280 23.165 27.042 26.812 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Thu Jul 25 09:25:29 2002 Date: Thu, 25 Jul 2002 09:25:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0142 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 Thu Jul 25 08:58:08 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_713256_14738 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0142TS189_3 Current information on models submitted in prediction T0142TS189 MODEL_INDEX PIN CODE DATE E-mail T0142TS189_3 PIN_713256_14738 5035-2079-5263 07/25/02 08:58:08 casp5@bialko.llnl.gov T0142TS189_2 PIN_703909_14736 5035-2079-5263 07/25/02 08:57:38 casp5@bialko.llnl.gov T0142TS189_1 PIN_703991_14734 5035-2079-5263 07/25/02 08:57:08 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 T0142 MODEL_INDEX PIN CODE DATE E-mail T0142TS189_1 PIN_703991_14734 5035-2079-5263 07/25/02 08:57:08 casp5@bialko.llnl.gov T0142TS189_2 PIN_703909_14736 5035-2079-5263 07/25/02 08:57:38 casp5@bialko.llnl.gov T0142TS189_3 PIN_713256_14738 5035-2079-5263 07/25/02 08:58:08 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 T0142 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1BIX # Loading PARENT structure: 1bix (chain: ) # 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 G 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 S 2 # IMPORTANT NOTE! Not complete main chain atoms for residue P 3 # IMPORTANT NOTE! Not complete main chain atoms for residue P 4 # IMPORTANT NOTE! Not complete main chain atoms for residue A 5 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 6 # IMPORTANT NOTE! Not complete main chain atoms for residue L 7 # IMPORTANT NOTE! Not complete main chain atoms for residue S 8 # IMPORTANT NOTE! Not complete main chain atoms for residue V 9 # IMPORTANT NOTE! Not complete main chain atoms for residue H 10 # IMPORTANT NOTE! Not complete main chain atoms for residue T 11 # IMPORTANT NOTE! Not complete main chain atoms for residue V 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue W 14 # IMPORTANT NOTE! Not complete main chain atoms for residue N 15 # IMPORTANT NOTE! Not complete main chain atoms for residue S 16 # IMPORTANT NOTE! Not complete main chain atoms for residue G 17 # IMPORTANT NOTE! Not complete main chain atoms for residue H 18 # IMPORTANT NOTE! Not complete main chain atoms for residue E 19 # IMPORTANT NOTE! Not complete main chain atoms for residue R 20 # IMPORTANT NOTE! Not complete main chain atoms for residue A 21 # IMPORTANT NOTE! Not complete main chain atoms for residue P 22 # IMPORTANT NOTE! Not complete main chain atoms for residue T 23 # IMPORTANT NOTE! Not complete main chain atoms for residue N 24 # IMPORTANT NOTE! Not complete main chain atoms for residue L 25 # IMPORTANT NOTE! Not complete main chain atoms for residue E 26 # IMPORTANT NOTE! Not complete main chain atoms for residue E 27 # IMPORTANT NOTE! Not complete main chain atoms for residue L 28 # IMPORTANT NOTE! Not complete main chain atoms for residue L 29 # IMPORTANT NOTE! Not complete main chain atoms for residue G 30 # IMPORTANT NOTE! Not complete main chain atoms for residue L 31 # IMPORTANT NOTE! Not complete main chain atoms for residue N 32 # IMPORTANT NOTE! Not complete main chain atoms for residue S 33 # IMPORTANT NOTE! Not complete main chain atoms for residue E 35 # IMPORTANT NOTE! Not complete main chain atoms for residue T 36 # IMPORTANT NOTE! Not complete main chain atoms for residue P 37 # IMPORTANT NOTE! Not complete main chain atoms for residue D 38 # IMPORTANT NOTE! Not complete main chain atoms for residue V 39 # IMPORTANT NOTE! Not complete main chain atoms for residue I 40 # IMPORTANT NOTE! Not complete main chain atoms for residue A 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue A 43 # IMPORTANT NOTE! Not complete main chain atoms for residue V 44 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue D 52 # IMPORTANT NOTE! Not complete main chain atoms for residue K 53 # IMPORTANT NOTE! Not complete main chain atoms for residue P 54 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 55 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue P 58 # IMPORTANT NOTE! Not complete main chain atoms for residue A 59 # IMPORTANT NOTE! Not complete main chain atoms for residue C 60 # IMPORTANT NOTE! Not complete main chain atoms for residue V 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue N 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 65 # IMPORTANT NOTE! Not complete main chain atoms for residue S 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue L 68 # IMPORTANT NOTE! Not complete main chain atoms for residue T 69 # IMPORTANT NOTE! Not complete main chain atoms for residue S 70 # IMPORTANT NOTE! Not complete main chain atoms for residue K 71 # IMPORTANT NOTE! Not complete main chain atoms for residue G 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue T 74 # IMPORTANT NOTE! Not complete main chain atoms for residue K 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue K 77 # IMPORTANT NOTE! Not complete main chain atoms for residue N 78 # IMPORTANT NOTE! Not complete main chain atoms for residue T 79 # IMPORTANT NOTE! Not complete main chain atoms for residue I 80 # IMPORTANT NOTE! Not complete main chain atoms for residue T 81 # IMPORTANT NOTE! Not complete main chain atoms for residue E 82 # IMPORTANT NOTE! Not complete main chain atoms for residue T 83 # IMPORTANT NOTE! Not complete main chain atoms for residue M 84 # IMPORTANT NOTE! Not complete main chain atoms for residue G 85 # IMPORTANT NOTE! Not complete main chain atoms for residue L 86 # IMPORTANT NOTE! Not complete main chain atoms for residue T 87 # IMPORTANT NOTE! Not complete main chain atoms for residue V 88 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 89 # IMPORTANT NOTE! Not complete main chain atoms for residue C 90 # IMPORTANT NOTE! Not complete main chain atoms for residue L 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue N 102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 103 # IMPORTANT NOTE! Not complete main chain atoms for residue T 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue I 106 # IMPORTANT NOTE! Not complete main chain atoms for residue V 107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 108 # IMPORTANT NOTE! Not complete main chain atoms for residue V 109 # IMPORTANT NOTE! Not complete main chain atoms for residue D 110 # IMPORTANT NOTE! Not complete main chain atoms for residue D 111 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 112 # IMPORTANT NOTE! Not complete main chain atoms for residue K 113 # IMPORTANT NOTE! Not complete main chain atoms for residue K 114 # IMPORTANT NOTE! Not complete main chain atoms for residue S 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue G 117 # IMPORTANT NOTE! Not complete main chain atoms for residue I 118 # IMPORTANT NOTE! Not complete main chain atoms for residue V 119 # IMPORTANT NOTE! Not complete main chain atoms for residue T 120 # IMPORTANT NOTE! Not complete main chain atoms for residue S 121 # IMPORTANT NOTE! Not complete main chain atoms for residue F 122 # IMPORTANT NOTE! Not complete main chain atoms for residue T 123 # IMPORTANT NOTE! Not complete main chain atoms for residue R 128 # IMPORTANT NOTE! Not complete main chain atoms for residue F 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue F 131 # IMPORTANT NOTE! Not complete main chain atoms for residue T 132 # IMPORTANT NOTE! Not complete main chain atoms for residue T 133 # IMPORTANT NOTE! Not complete main chain atoms for residue S 134 # IMPORTANT NOTE! Not complete main chain atoms for residue R 135 # IMPORTANT NOTE! Not complete main chain atoms for residue M 136 # IMPORTANT NOTE! Not complete main chain atoms for residue S 137 # IMPORTANT NOTE! Not complete main chain atoms for residue D 138 # IMPORTANT NOTE! Not complete main chain atoms for residue E 139 # IMPORTANT NOTE! Not complete main chain atoms for residue D 140 # IMPORTANT NOTE! Not complete main chain atoms for residue V 141 # IMPORTANT NOTE! Not complete main chain atoms for residue T 142 # IMPORTANT NOTE! Not complete main chain atoms for residue S 143 # IMPORTANT NOTE! Not complete main chain atoms for residue T 144 # IMPORTANT NOTE! Not complete main chain atoms for residue N 145 # IMPORTANT NOTE! Not complete main chain atoms for residue T 146 # IMPORTANT NOTE! Not complete main chain atoms for residue K 147 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 148 # IMPORTANT NOTE! Not complete main chain atoms for residue A 149 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 150 # IMPORTANT NOTE! Not complete main chain atoms for residue D 151 # IMPORTANT NOTE! Not complete main chain atoms for residue T 152 # IMPORTANT NOTE! Not complete main chain atoms for residue R 153 # IMPORTANT NOTE! Not complete main chain atoms for residue L 154 # IMPORTANT NOTE! Not complete main chain atoms for residue D 155 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 156 # IMPORTANT NOTE! Not complete main chain atoms for residue S 157 # IMPORTANT NOTE! Not complete main chain atoms for residue K 158 # IMPORTANT NOTE! Not complete main chain atoms for residue K 159 # IMPORTANT NOTE! Not complete main chain atoms for residue D 160 # IMPORTANT NOTE! Not complete main chain atoms for residue D 161 # IMPORTANT NOTE! Not complete main chain atoms for residue P 162 # IMPORTANT NOTE! Not complete main chain atoms for residue S 163 # IMPORTANT NOTE! Not complete main chain atoms for residue D 164 # IMPORTANT NOTE! Not complete main chain atoms for residue F 165 # IMPORTANT NOTE! Not complete main chain atoms for residue L 166 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue W 168 # IMPORTANT NOTE! Not complete main chain atoms for residue I 169 # IMPORTANT NOTE! Not complete main chain atoms for residue G 170 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue L 172 # IMPORTANT NOTE! Not complete main chain atoms for residue N 173 # IMPORTANT NOTE! Not complete main chain atoms for residue V 174 # IMPORTANT NOTE! Not complete main chain atoms for residue R 175 # IMPORTANT NOTE! Not complete main chain atoms for residue V 176 # IMPORTANT NOTE! Not complete main chain atoms for residue E 177 # IMPORTANT NOTE! Not complete main chain atoms for residue T 178 # IMPORTANT NOTE! Not complete main chain atoms for residue N 179 # IMPORTANT NOTE! Not complete main chain atoms for residue A 180 # IMPORTANT NOTE! Not complete main chain atoms for residue T 181 # IMPORTANT NOTE! Not complete main chain atoms for residue H 182 # IMPORTANT NOTE! Not complete main chain atoms for residue A 183 # IMPORTANT NOTE! Not complete main chain atoms for residue K 184 # IMPORTANT NOTE! Not complete main chain atoms for residue S 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue V 187 # IMPORTANT NOTE! Not complete main chain atoms for residue D 188 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 189 # IMPORTANT NOTE! Not complete main chain atoms for residue N 190 # IMPORTANT NOTE! Not complete main chain atoms for residue N 191 # IMPORTANT NOTE! Not complete main chain atoms for residue I 192 # IMPORTANT NOTE! Not complete main chain atoms for residue D 193 # IMPORTANT NOTE! Not complete main chain atoms for residue G 194 # IMPORTANT NOTE! Not complete main chain atoms for residue L 195 # IMPORTANT NOTE! Not complete main chain atoms for residue M 196 # IMPORTANT NOTE! Not complete main chain atoms for residue A 197 # IMPORTANT NOTE! Not complete main chain atoms for residue F 198 # IMPORTANT NOTE! Not complete main chain atoms for residue D 199 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 200 # IMPORTANT NOTE! Not complete main chain atoms for residue L 201 # IMPORTANT NOTE! Not complete main chain atoms for residue K 202 # IMPORTANT NOTE! Not complete main chain atoms for residue K 203 # IMPORTANT NOTE! Not complete main chain atoms for residue A 204 # IMPORTANT NOTE! Not complete main chain atoms for residue K 205 # IMPORTANT NOTE! Not complete main chain atoms for residue E 206 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 207 # IMPORTANT NOTE! Not complete main chain atoms for residue K 208 # IMPORTANT NOTE! Not complete main chain atoms for residue L 209 # IMPORTANT NOTE! Not complete main chain atoms for residue F 210 # IMPORTANT NOTE! Not complete main chain atoms for residue D 211 # IMPORTANT NOTE! Not complete main chain atoms for residue G 212 # IMPORTANT NOTE! Not complete main chain atoms for residue W 213 # IMPORTANT NOTE! Not complete main chain atoms for residue T 214 # IMPORTANT NOTE! Not complete main chain atoms for residue P 216 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 217 # IMPORTANT NOTE! Not complete main chain atoms for residue V 218 # IMPORTANT NOTE! Not complete main chain atoms for residue T 219 # IMPORTANT NOTE! Not complete main chain atoms for residue F 220 # IMPORTANT NOTE! Not complete main chain atoms for residue K 221 # IMPORTANT NOTE! Not complete main chain atoms for residue P 222 # IMPORTANT NOTE! Not complete main chain atoms for residue T 223 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 224 # IMPORTANT NOTE! Not complete main chain atoms for residue K 225 # IMPORTANT NOTE! Not complete main chain atoms for residue F 226 # IMPORTANT NOTE! Not complete main chain atoms for residue K 227 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue D 231 # IMPORTANT NOTE! Not complete main chain atoms for residue E 232 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 233 # IMPORTANT NOTE! Not complete main chain atoms for residue D 234 # IMPORTANT NOTE! Not complete main chain atoms for residue L 235 # IMPORTANT NOTE! Not complete main chain atoms for residue S 236 # IMPORTANT NOTE! Not complete main chain atoms for residue A 237 # IMPORTANT NOTE! Not complete main chain atoms for residue T 238 # IMPORTANT NOTE! Not complete main chain atoms for residue P 239 # IMPORTANT NOTE! Not complete main chain atoms for residue S 240 # IMPORTANT NOTE! Not complete main chain atoms for residue W 241 # IMPORTANT NOTE! Not complete main chain atoms for residue T 242 # IMPORTANT NOTE! Not complete main chain atoms for residue D 243 # IMPORTANT NOTE! Not complete main chain atoms for residue R 244 # IMPORTANT NOTE! Not complete main chain atoms for residue A 245 # IMPORTANT NOTE! Not complete main chain atoms for residue L 246 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 247 # IMPORTANT NOTE! Not complete main chain atoms for residue K 248 # IMPORTANT NOTE! Not complete main chain atoms for residue S 249 # IMPORTANT NOTE! Not complete main chain atoms for residue G 250 # IMPORTANT NOTE! Not complete main chain atoms for residue T 251 # IMPORTANT NOTE! Not complete main chain atoms for residue G 252 # IMPORTANT NOTE! Not complete main chain atoms for residue K 253 # IMPORTANT NOTE! Not complete main chain atoms for residue T 254 # IMPORTANT NOTE! Not complete main chain atoms for residue I 255 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 256 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 260 # IMPORTANT NOTE! Not complete main chain atoms for residue N 261 # IMPORTANT NOTE! Not complete main chain atoms for residue S 262 # IMPORTANT NOTE! Not complete main chain atoms for residue L 263 # IMPORTANT NOTE! Not complete main chain atoms for residue T 264 # IMPORTANT NOTE! Not complete main chain atoms for residue N 265 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 266 # IMPORTANT NOTE! Not complete main chain atoms for residue K 267 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 268 # IMPORTANT NOTE! Not complete main chain atoms for residue T 269 # IMPORTANT NOTE! Not complete main chain atoms for residue E 270 # IMPORTANT NOTE! Not complete main chain atoms for residue H 271 # IMPORTANT NOTE! Not complete main chain atoms for residue R 272 # IMPORTANT NOTE! Not complete main chain atoms for residue P 273 # IMPORTANT NOTE! Not complete main chain atoms for residue V 274 # IMPORTANT NOTE! Not complete main chain atoms for residue L 275 # IMPORTANT NOTE! Not complete main chain atoms for residue A 276 # IMPORTANT NOTE! Not complete main chain atoms for residue K 277 # IMPORTANT NOTE! Not complete main chain atoms for residue F 278 # IMPORTANT NOTE! Not complete main chain atoms for residue R 279 # IMPORTANT NOTE! Not complete main chain atoms for residue V 280 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0142 # Total number of residues in target: 282 # Total number of residues in model: 256 # Total number of atoms in model: 256 # Number of atoms with 1.0 occupancy: 256 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 256 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0142 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1BIX ATOM 54 CA GLY 1 30.047 22.818 19.323 1.00 1.00 ATOM 55 CA SER 2 29.898 24.567 22.716 1.00 1.00 ATOM 56 CA PRO 3 31.941 27.544 21.352 1.00 1.00 ATOM 57 CA PRO 4 29.418 27.873 18.492 1.00 1.00 ATOM 58 CA ALA 5 31.546 26.186 15.766 1.00 1.00 ATOM 59 CA GLN 6 29.381 24.196 13.247 1.00 1.00 ATOM 60 CA LEU 7 29.852 20.443 12.962 1.00 1.00 ATOM 61 CA SER 8 32.227 19.653 10.096 1.00 1.00 ATOM 62 CA VAL 9 32.461 15.855 10.566 1.00 1.00 ATOM 63 CA HIS 10 29.589 13.418 10.880 1.00 1.00 ATOM 64 CA THR 11 30.732 9.872 11.832 1.00 1.00 ATOM 65 CA VAL 12 28.268 6.919 11.854 1.00 1.00 ATOM 66 CA SER 13 28.965 3.525 13.478 1.00 1.00 ATOM 67 CA TRP 14 26.773 0.445 13.101 1.00 1.00 ATOM 68 CA ASN 15 27.009 -3.286 14.017 1.00 1.00 ATOM 69 CA SER 16 25.293 -4.570 10.880 1.00 1.00 ATOM 70 CA GLY 17 24.978 -8.184 12.021 1.00 1.00 ATOM 71 CA HIS 18 26.052 -9.346 8.585 1.00 1.00 ATOM 72 CA GLU 19 26.969 -6.989 5.796 1.00 1.00 ATOM 73 CA ARG 20 24.858 -8.719 3.077 1.00 1.00 ATOM 74 CA ALA 21 21.935 -9.531 5.335 1.00 1.00 ATOM 75 CA PRO 22 22.029 -5.854 6.355 1.00 1.00 ATOM 76 CA THR 23 22.211 -4.592 2.707 1.00 1.00 ATOM 77 CA ASN 24 19.162 -6.762 2.061 1.00 1.00 ATOM 78 CA LEU 25 17.341 -5.186 4.998 1.00 1.00 ATOM 79 CA GLU 26 17.903 -1.793 3.331 1.00 1.00 ATOM 80 CA GLU 27 20.679 -0.648 5.600 1.00 1.00 ATOM 81 CA LEU 28 22.430 1.213 2.752 1.00 1.00 ATOM 82 CA LEU 29 19.431 3.443 2.102 1.00 1.00 ATOM 83 CA GLY 30 19.368 4.558 5.702 1.00 1.00 ATOM 84 CA LEU 31 23.094 5.397 5.380 1.00 1.00 ATOM 85 CA ASN 32 22.462 7.279 2.126 1.00 1.00 ATOM 86 CA SER 33 19.890 9.308 4.146 1.00 1.00 ATOM 87 CA GLU 35 22.242 9.782 7.089 1.00 1.00 ATOM 88 CA THR 36 24.963 11.049 4.695 1.00 1.00 ATOM 89 CA PRO 37 27.857 10.703 7.145 1.00 1.00 ATOM 90 CA ASP 38 31.435 11.547 6.093 1.00 1.00 ATOM 91 CA VAL 39 32.770 8.300 7.665 1.00 1.00 ATOM 92 CA ILE 40 30.770 5.062 8.135 1.00 1.00 ATOM 93 CA ALA 41 32.135 2.398 10.494 1.00 1.00 ATOM 94 CA VAL 42 30.601 -1.113 10.283 1.00 1.00 ATOM 95 CA ALA 43 31.041 -4.041 12.682 1.00 1.00 ATOM 96 CA VAL 44 30.276 -7.724 12.210 1.00 1.00 ATOM 97 CA GLN 45 30.263 -7.784 8.421 1.00 1.00 ATOM 98 CA GLY 46 30.471 -11.664 8.387 1.00 1.00 ATOM 99 CA ASP 52 31.888 -11.641 4.803 1.00 1.00 ATOM 100 CA LYS 53 33.131 -14.885 3.183 1.00 1.00 ATOM 101 CA PRO 54 34.385 -14.824 -0.420 1.00 1.00 ATOM 102 CA GLN 55 36.566 -12.974 -2.929 1.00 1.00 ATOM 103 CA GLN 56 34.096 -10.124 -3.453 1.00 1.00 ATOM 104 CA GLY 57 32.072 -7.598 -1.449 1.00 1.00 ATOM 105 CA PRO 58 28.482 -6.633 -2.378 1.00 1.00 ATOM 106 CA ALA 59 28.286 -4.502 -5.530 1.00 1.00 ATOM 107 CA CYS 60 26.069 -1.992 -3.691 1.00 1.00 ATOM 108 CA VAL 61 29.174 -0.671 -1.845 1.00 1.00 ATOM 109 CA LYS 62 30.587 0.551 -5.178 1.00 1.00 ATOM 110 CA ASN 63 27.527 2.891 -5.540 1.00 1.00 ATOM 111 CA PHE 64 28.809 5.211 -2.745 1.00 1.00 ATOM 112 CA GLN 65 30.604 8.203 -4.351 1.00 1.00 ATOM 113 CA SER 66 30.335 9.972 -0.970 1.00 1.00 ATOM 114 CA LEU 67 32.114 7.128 0.923 1.00 1.00 ATOM 115 CA LEU 68 34.500 6.014 -1.837 1.00 1.00 ATOM 116 CA THR 69 37.538 5.196 0.309 1.00 1.00 ATOM 117 CA SER 70 36.681 1.820 1.870 1.00 1.00 ATOM 118 CA LYS 71 38.772 -0.397 4.161 1.00 1.00 ATOM 119 CA GLY 72 37.910 -3.884 5.311 1.00 1.00 ATOM 120 CA TYR 73 39.247 -6.489 7.759 1.00 1.00 ATOM 121 CA THR 74 37.830 -10.017 8.171 1.00 1.00 ATOM 122 CA LYS 75 39.210 -13.124 10.005 1.00 1.00 ATOM 123 CA LEU 76 42.304 -14.776 8.571 1.00 1.00 ATOM 124 CA LYS 77 40.094 -17.903 8.053 1.00 1.00 ATOM 125 CA ASN 78 37.188 -15.798 6.698 1.00 1.00 ATOM 126 CA THR 79 33.987 -17.769 7.479 1.00 1.00 ATOM 127 CA ILE 80 30.850 -15.722 8.344 1.00 1.00 ATOM 128 CA THR 81 32.228 -14.449 11.669 1.00 1.00 ATOM 129 CA GLU 82 33.163 -10.985 13.007 1.00 1.00 ATOM 130 CA THR 83 34.665 -8.514 10.460 1.00 1.00 ATOM 131 CA MET 84 34.786 -4.672 10.339 1.00 1.00 ATOM 132 CA GLY 85 34.548 -1.912 7.703 1.00 1.00 ATOM 133 CA LEU 86 35.465 1.760 7.482 1.00 1.00 ATOM 134 CA THR 87 34.206 3.850 4.551 1.00 1.00 ATOM 135 CA VAL 88 35.334 7.516 4.334 1.00 1.00 ATOM 136 CA TYR 89 34.456 10.496 2.063 1.00 1.00 ATOM 137 CA CYS 90 38.022 11.718 2.296 1.00 1.00 ATOM 140 CA LEU 100 46.502 9.793 5.808 1.00 1.00 ATOM 141 CA LYS 101 46.976 6.163 6.822 1.00 1.00 ATOM 142 CA ASN 102 44.853 3.025 7.421 1.00 1.00 ATOM 143 CA GLU 103 46.271 0.208 9.637 1.00 1.00 ATOM 144 CA THR 104 44.760 -2.985 10.937 1.00 1.00 ATOM 145 CA ILE 105 44.688 -4.602 14.293 1.00 1.00 ATOM 146 CA ILE 106 46.260 -3.392 17.492 1.00 1.00 ATOM 147 CA VAL 107 49.830 -4.638 17.001 1.00 1.00 ATOM 148 CA THR 108 49.242 -7.741 19.043 1.00 1.00 ATOM 149 CA VAL 109 49.152 -10.960 16.954 1.00 1.00 ATOM 150 CA ASP 110 46.871 -13.112 19.145 1.00 1.00 ATOM 151 CA ASP 111 44.378 -10.199 19.125 1.00 1.00 ATOM 152 CA GLN 112 44.643 -9.509 15.422 1.00 1.00 ATOM 153 CA LYS 113 43.323 -12.691 13.876 1.00 1.00 ATOM 154 CA LYS 114 39.623 -11.929 13.922 1.00 1.00 ATOM 155 CA SER 115 39.199 -8.821 11.824 1.00 1.00 ATOM 156 CA GLY 116 38.108 -6.618 14.639 1.00 1.00 ATOM 157 CA GLY 117 39.998 -3.387 14.305 1.00 1.00 ATOM 158 CA ILE 118 40.669 -0.692 11.742 1.00 1.00 ATOM 159 CA VAL 119 42.615 2.515 12.500 1.00 1.00 ATOM 160 CA THR 120 42.131 5.490 10.120 1.00 1.00 ATOM 161 CA SER 121 44.452 8.407 10.749 1.00 1.00 ATOM 162 CA PHE 122 43.205 11.885 9.747 1.00 1.00 ATOM 163 CA THR 123 44.869 15.359 9.963 1.00 1.00 ATOM 164 CA ARG 128 43.478 16.409 13.305 1.00 1.00 ATOM 165 CA PHE 129 42.595 13.008 14.860 1.00 1.00 ATOM 166 CA SER 130 42.814 9.179 14.525 1.00 1.00 ATOM 167 CA PHE 131 39.657 7.099 14.202 1.00 1.00 ATOM 168 CA THR 132 39.499 3.480 15.434 1.00 1.00 ATOM 169 CA THR 133 36.499 1.213 14.807 1.00 1.00 ATOM 170 CA SER 134 36.343 -2.024 16.807 1.00 1.00 ATOM 171 CA ARG 135 34.138 -5.009 17.300 1.00 1.00 ATOM 172 CA MET 136 35.256 -6.163 20.783 1.00 1.00 ATOM 173 CA SER 137 35.318 -9.931 21.497 1.00 1.00 ATOM 174 CA ASP 138 32.106 -11.000 23.178 1.00 1.00 ATOM 175 CA GLU 139 32.738 -12.745 26.570 1.00 1.00 ATOM 179 CA ASP 140 31.274 -16.631 30.026 1.00 1.00 ATOM 180 CA VAL 141 33.550 -19.250 28.361 1.00 1.00 ATOM 181 CA THR 142 35.548 -16.455 26.692 1.00 1.00 ATOM 182 CA SER 143 35.762 -14.081 29.683 1.00 1.00 ATOM 183 CA THR 144 39.415 -14.721 30.551 1.00 1.00 ATOM 184 CA ASN 145 40.402 -13.924 26.936 1.00 1.00 ATOM 185 CA THR 146 38.217 -10.815 26.767 1.00 1.00 ATOM 186 CA LYS 147 40.115 -9.452 29.831 1.00 1.00 ATOM 187 CA TYR 148 43.373 -10.132 28.038 1.00 1.00 ATOM 188 CA ALA 149 41.902 -8.370 24.965 1.00 1.00 ATOM 189 CA TYR 150 40.635 -5.344 27.041 1.00 1.00 ATOM 190 CA ASP 151 44.015 -4.938 28.560 1.00 1.00 ATOM 191 CA THR 152 45.848 -5.076 25.221 1.00 1.00 ATOM 192 CA ARG 153 43.257 -2.866 23.462 1.00 1.00 ATOM 193 CA LEU 154 43.488 -0.205 26.179 1.00 1.00 ATOM 194 CA ASP 155 47.257 -0.054 26.029 1.00 1.00 ATOM 195 CA TYR 156 47.162 0.215 22.207 1.00 1.00 ATOM 196 CA SER 157 44.711 3.139 22.340 1.00 1.00 ATOM 197 CA LYS 158 46.656 4.858 25.066 1.00 1.00 ATOM 198 CA LYS 159 49.667 4.826 22.710 1.00 1.00 ATOM 199 CA ASP 160 47.743 6.075 19.688 1.00 1.00 ATOM 200 CA ASP 161 46.094 8.780 21.779 1.00 1.00 ATOM 201 CA PRO 162 49.559 9.908 22.940 1.00 1.00 ATOM 202 CA SER 163 50.465 11.043 19.383 1.00 1.00 ATOM 203 CA ASP 164 47.056 12.411 18.210 1.00 1.00 ATOM 204 CA PHE 165 43.498 13.019 19.620 1.00 1.00 ATOM 205 CA LEU 166 41.545 9.789 19.469 1.00 1.00 ATOM 206 CA PHE 167 37.969 8.831 18.568 1.00 1.00 ATOM 207 CA TRP 168 37.050 5.155 19.203 1.00 1.00 ATOM 208 CA ILE 169 33.704 3.885 18.048 1.00 1.00 ATOM 209 CA GLY 170 32.109 0.567 17.622 1.00 1.00 ATOM 210 CA ASP 171 30.399 -2.230 19.366 1.00 1.00 ATOM 211 CA LEU 172 32.439 -2.488 22.511 1.00 1.00 ATOM 212 CA ASN 173 30.420 -5.418 24.010 1.00 1.00 ATOM 213 CA VAL 174 29.719 -3.896 27.384 1.00 1.00 ATOM 215 CA ARG 175 29.170 0.225 31.193 1.00 1.00 ATOM 216 CA VAL 176 26.667 1.235 33.798 1.00 1.00 ATOM 217 CA GLU 177 23.318 0.207 35.271 1.00 1.00 ATOM 218 CA THR 178 21.682 2.911 33.162 1.00 1.00 ATOM 219 CA ASN 179 23.193 1.284 30.051 1.00 1.00 ATOM 220 CA ALA 180 20.819 -1.722 29.972 1.00 1.00 ATOM 221 CA THR 181 17.143 -2.267 30.789 1.00 1.00 ATOM 222 CA HIS 182 17.757 -5.234 33.169 1.00 1.00 ATOM 223 CA ALA 183 20.906 -4.652 35.234 1.00 1.00 ATOM 224 CA LYS 184 19.953 -6.976 38.194 1.00 1.00 ATOM 225 CA SER 185 19.376 -9.946 35.915 1.00 1.00 ATOM 226 CA LEU 186 22.555 -9.658 33.814 1.00 1.00 ATOM 227 CA VAL 187 25.353 -9.224 36.338 1.00 1.00 ATOM 228 CA ASP 188 26.609 -12.675 35.425 1.00 1.00 ATOM 229 CA GLN 189 25.919 -12.530 31.653 1.00 1.00 ATOM 230 CA ASN 190 28.295 -11.491 28.845 1.00 1.00 ATOM 231 CA ASN 191 28.278 -7.711 28.446 1.00 1.00 ATOM 232 CA ILE 192 27.571 -6.854 32.074 1.00 1.00 ATOM 233 CA ASP 193 30.038 -8.678 34.170 1.00 1.00 ATOM 234 CA GLY 194 32.145 -6.882 36.764 1.00 1.00 ATOM 235 CA LEU 195 35.181 -7.784 34.702 1.00 1.00 ATOM 236 CA MET 196 33.804 -6.188 31.522 1.00 1.00 ATOM 237 CA ALA 197 32.416 -3.127 33.321 1.00 1.00 ATOM 238 CA PHE 198 35.752 -2.599 35.049 1.00 1.00 ATOM 239 CA ASP 199 37.433 -2.992 31.718 1.00 1.00 ATOM 240 CA GLN 200 35.285 -0.254 30.193 1.00 1.00 ATOM 241 CA LEU 201 35.830 2.098 33.200 1.00 1.00 ATOM 242 CA LYS 202 39.544 1.363 32.958 1.00 1.00 ATOM 243 CA LYS 203 39.629 2.227 29.193 1.00 1.00 ATOM 244 CA ALA 204 38.167 5.661 30.019 1.00 1.00 ATOM 245 CA LYS 205 40.747 6.218 32.775 1.00 1.00 ATOM 246 CA GLU 206 43.912 4.991 31.009 1.00 1.00 ATOM 247 CA GLN 207 43.688 6.542 27.537 1.00 1.00 ATOM 248 CA LYS 208 42.026 8.826 28.784 1.00 1.00 ATOM 249 CA LEU 209 38.664 8.739 26.927 1.00 1.00 ATOM 250 CA PHE 210 35.240 10.294 27.533 1.00 1.00 ATOM 251 CA ASP 211 31.943 8.555 26.680 1.00 1.00 ATOM 252 CA GLY 212 30.435 11.116 24.301 1.00 1.00 ATOM 253 CA TRP 213 26.716 10.223 24.713 1.00 1.00 ATOM 254 CA THR 214 26.904 9.894 28.520 1.00 1.00 ATOM 258 CA PRO 216 24.516 11.889 31.972 1.00 1.00 ATOM 259 CA GLN 217 21.126 11.070 33.448 1.00 1.00 ATOM 260 CA VAL 218 19.074 9.977 30.434 1.00 1.00 ATOM 261 CA THR 219 17.938 6.400 30.859 1.00 1.00 ATOM 262 CA PHE 220 16.613 3.860 28.341 1.00 1.00 ATOM 263 CA LYS 221 19.076 4.888 25.636 1.00 1.00 ATOM 264 CA PRO 222 20.033 1.576 24.036 1.00 1.00 ATOM 265 CA THR 223 21.745 0.496 20.805 1.00 1.00 ATOM 266 CA TYR 224 21.006 -3.266 20.879 1.00 1.00 ATOM 267 CA LYS 225 17.919 -5.388 21.574 1.00 1.00 ATOM 268 CA PHE 226 17.899 -9.176 21.161 1.00 1.00 ATOM 269 CA LYS 227 15.989 -10.408 18.135 1.00 1.00 ATOM 270 CA THR 230 14.399 -12.960 20.513 1.00 1.00 ATOM 271 CA ASP 231 11.011 -12.017 22.007 1.00 1.00 ATOM 272 CA GLU 232 10.628 -8.591 20.186 1.00 1.00 ATOM 273 CA TYR 233 12.830 -6.796 22.724 1.00 1.00 ATOM 274 CA ASP 234 13.285 -3.813 20.408 1.00 1.00 ATOM 275 CA LEU 235 9.592 -3.022 20.627 1.00 1.00 ATOM 276 CA SER 236 9.476 -3.372 24.447 1.00 1.00 ATOM 277 CA ALA 237 12.771 -1.358 24.454 1.00 1.00 ATOM 278 CA THR 238 14.462 -4.070 26.489 1.00 1.00 ATOM 279 CA PRO 239 18.080 -3.420 25.386 1.00 1.00 ATOM 280 CA SER 240 21.721 -2.738 26.056 1.00 1.00 ATOM 281 CA TRP 241 23.831 0.274 25.059 1.00 1.00 ATOM 282 CA THR 242 26.830 -1.533 23.530 1.00 1.00 ATOM 283 CA ASP 243 27.928 0.900 20.846 1.00 1.00 ATOM 284 CA ARG 244 29.866 4.023 21.720 1.00 1.00 ATOM 285 CA ALA 245 31.872 6.965 20.449 1.00 1.00 ATOM 286 CA LEU 246 34.691 7.313 22.978 1.00 1.00 ATOM 287 CA TYR 247 36.898 10.440 22.683 1.00 1.00 ATOM 288 CA LYS 248 40.018 12.101 23.850 1.00 1.00 ATOM 289 CA SER 249 39.270 14.853 26.351 1.00 1.00 ATOM 290 CA GLY 250 41.069 17.248 24.019 1.00 1.00 ATOM 291 CA THR 251 38.203 16.672 21.554 1.00 1.00 ATOM 292 CA GLY 252 35.436 17.512 24.027 1.00 1.00 ATOM 293 CA LYS 253 35.283 21.210 22.947 1.00 1.00 ATOM 294 CA THR 254 34.705 19.968 19.308 1.00 1.00 ATOM 295 CA ILE 255 31.845 17.754 20.361 1.00 1.00 ATOM 296 CA GLN 256 28.462 18.804 19.068 1.00 1.00 ATOM 297 CA SER 259 26.353 15.685 19.608 1.00 1.00 ATOM 298 CA TYR 260 26.361 11.851 20.009 1.00 1.00 ATOM 299 CA ASN 261 23.136 10.289 18.621 1.00 1.00 ATOM 300 CA SER 262 21.378 6.947 18.866 1.00 1.00 ATOM 301 CA LEU 263 19.364 6.336 15.764 1.00 1.00 ATOM 302 CA THR 264 16.770 4.176 17.522 1.00 1.00 ATOM 303 CA ASN 265 14.480 4.070 14.474 1.00 1.00 ATOM 304 CA TYR 266 16.936 2.746 11.846 1.00 1.00 ATOM 305 CA LYS 267 16.248 -0.909 11.034 1.00 1.00 ATOM 306 CA GLN 268 18.379 -3.535 9.406 1.00 1.00 ATOM 307 CA THR 269 20.090 -5.166 12.361 1.00 1.00 ATOM 308 CA GLU 270 19.708 -6.006 16.110 1.00 1.00 ATOM 309 CA HIS 271 21.860 -2.869 16.697 1.00 1.00 ATOM 310 CA ARG 272 20.823 0.594 15.635 1.00 1.00 ATOM 311 CA PRO 273 23.416 3.067 14.327 1.00 1.00 ATOM 312 CA VAL 274 25.000 5.714 16.490 1.00 1.00 ATOM 313 CA LEU 275 26.203 9.062 15.063 1.00 1.00 ATOM 314 CA ALA 276 28.856 11.586 16.162 1.00 1.00 ATOM 315 CA LYS 277 29.045 15.353 15.108 1.00 1.00 ATOM 316 CA PHE 278 32.425 17.072 15.537 1.00 1.00 ATOM 317 CA ARG 279 33.532 20.647 14.693 1.00 1.00 ATOM 318 CA VAL 280 37.156 20.228 13.658 1.00 1.00 TER END ################################ # # # END # # # ################################