From mailer@bialko.llnl.gov Sat Jun 15 15:36:28 2002 Date: Sat, 15 Jun 2002 15:36:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Sat Jun 15 15:09:53 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_210339_10792 # (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 T0133 AUTHOR 2491-6940-1261 # Reading MODEL 1 P T 0.735 # ERROR! Check the line NB = 16 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0133 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 T0133.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 13 METHOD MODEL 1 M C 0.997 N C 0.797 S C 0.448 I C 0.306 K H 0.271 N H 0.328 V C 0.346 P C 0.514 A H 0.395 R H 0.415 V H 0.422 L H 0.363 S C 0.240 R C 0.383 R C 0.792 P T 0.735 G T 0.763 H C 0.440 S C 0.453 L C 0.373 E H 0.443 A H 0.484 E H 0.586 R H 0.720 E H 0.793 Q H 0.745 F H 0.816 D H 0.845 K H 0.903 T H 0.921 Q H 0.952 A H 0.973 I H 0.970 S H 0.972 I H 0.961 S H 0.934 K H 0.785 A H 0.700 I H 0.475 N C 0.386 S C 0.279 Q H 0.258 E C 0.292 A C 0.427 P S 0.450 V C 0.541 K C 0.673 E H 0.339 K H 0.353 H H 0.446 A H 0.735 R H 0.763 R H 0.793 I H 0.805 I H 0.636 L H 0.323 G E 0.300 T C 0.475 H C 0.251 H H 0.265 E H 0.531 K H 0.597 G H 0.620 A H 0.799 F H 0.879 T H 0.911 F H 0.914 W H 0.903 S H 0.860 Y H 0.821 A H 0.710 I H 0.525 G H 0.406 L C 0.342 P C 0.466 L C 0.387 P T 0.370 S S 0.367 S C 0.351 S H 0.452 I H 0.804 L H 0.916 S H 0.967 W H 0.983 K H 0.989 F H 0.993 C H 0.995 H H 0.995 V H 0.996 L H 0.996 H H 0.995 K H 0.994 V H 0.988 L H 0.976 R H 0.904 D H 0.558 G T 0.637 H C 0.710 P T 0.513 N T 0.577 V H 0.344 L H 0.439 H H 0.654 D H 0.620 C H 0.598 Q H 0.587 R H 0.630 Y H 0.659 R H 0.803 S H 0.803 N H 0.814 I H 0.865 R H 0.835 E H 0.776 I H 0.819 G H 0.761 D H 0.672 L H 0.587 W H 0.352 G T 0.378 H T 0.321 L C 0.325 R T 0.295 D T 0.270 Q C 0.309 Y H 0.298 G H 0.546 H H 0.804 L H 0.927 V H 0.984 N H 0.994 I H 0.995 Y H 0.996 T H 0.996 K H 0.993 L H 0.987 L H 0.985 L H 0.978 T H 0.958 K H 0.945 I H 0.917 S H 0.825 F H 0.728 H H 0.543 L T 0.329 K H 0.280 H C 0.434 P T 0.419 Q T 0.357 F C 0.450 P C 0.366 A T 0.419 G C 0.354 L C 0.380 E C 0.424 V C 0.431 T C 0.541 D H 0.718 E H 0.780 V H 0.793 L H 0.746 E H 0.659 K H 0.584 A H 0.503 A H 0.282 G T 0.356 T T 0.309 D C 0.693 V T 0.594 N T 0.691 N C 0.278 I C 0.327 F E 0.369 Q E 0.538 L E 0.453 T E 0.454 V H 0.401 E H 0.395 M H 0.703 F H 0.774 D H 0.729 Y H 0.813 M H 0.855 D H 0.748 C H 0.748 E H 0.878 L H 0.940 K H 0.938 L H 0.962 S H 0.980 E H 0.983 S H 0.984 V H 0.982 F H 0.970 R H 0.933 Q H 0.884 L H 0.727 N H 0.324 T C 0.240 A C 0.302 I C 0.384 A C 0.324 V C 0.330 S C 0.341 Q C 0.285 M C 0.495 S C 0.533 S T 0.760 G T 0.685 Q C 0.414 C E 0.537 R E 0.430 L H 0.338 A H 0.678 P H 0.829 L H 0.950 I H 0.971 Q H 0.979 V H 0.985 I H 0.983 Q H 0.955 D H 0.867 C H 0.764 S H 0.657 H H 0.651 L H 0.884 Y H 0.964 H H 0.989 Y H 0.993 T H 0.995 V H 0.995 K H 0.993 L H 0.987 M H 0.980 F H 0.960 K H 0.887 L H 0.782 H H 0.526 S T 0.467 C T 0.563 L C 0.444 P C 0.873 A H 0.538 D H 0.545 T H 0.651 L H 0.897 Q H 0.917 G H 0.925 H H 0.942 R H 0.979 D H 0.981 R H 0.975 F H 0.979 H H 0.977 E H 0.970 Q H 0.969 F H 0.966 H H 0.934 S H 0.916 L H 0.951 R H 0.966 N H 0.942 F H 0.935 F H 0.908 R H 0.721 R H 0.526 A H 0.468 S T 0.439 D T 0.432 M H 0.769 L H 0.775 Y H 0.757 F H 0.601 K H 0.382 R H 0.315 L C 0.273 I E 0.377 Q C 0.509 I C 0.518 P C 0.677 R C 0.588 L C 0.680 P C 0.710 E C 0.440 G C 0.482 P C 0.743 P C 0.391 N C 0.460 F C 0.358 L C 0.357 R C 0.493 A H 0.433 S H 0.377 A H 0.350 L H 0.460 A H 0.427 E H 0.376 H H 0.448 I C 0.345 K C 0.470 P C 0.543 V C 0.744 V C 0.711 V C 0.643 I C 0.610 P C 0.724 E C 0.583 E C 0.620 A C 0.583 P C 0.573 E C 0.850 E C 0.998 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sat Jun 15 15:36:39 2002 Date: Sat, 15 Jun 2002 15:36:33 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Sat Jun 15 15:10:06 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_215640_10793 # (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 T0133 AUTHOR 5144-8387-2760 # Reading MODEL 1 S T 0.410 # ERROR! Check the line NB = 3 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0133 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 T0133.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 13 METHOD MODEL 1 M C 0.613 N C 0.478 S T 0.410 I T 0.532 K T 0.544 N T 0.473 V C 0.330 P C 0.459 A E 0.357 R E 0.514 V E 0.573 L E 0.499 S E 0.424 R C 0.433 R T 0.686 P T 0.791 G T 0.816 H T 0.621 S C 0.428 L H 0.397 E H 0.582 A H 0.670 E H 0.646 R H 0.794 E H 0.795 Q H 0.827 F H 0.745 D H 0.858 K H 0.949 T H 0.925 Q H 0.978 A H 0.993 I H 0.993 S H 0.992 I H 0.986 S H 0.968 K H 0.942 A H 0.904 I H 0.426 N C 0.732 S G 0.370 Q G 0.486 E G 0.483 A C 0.470 P C 0.624 V C 0.605 K C 0.575 E T 0.380 K T 0.407 H T 0.389 A T 0.334 R E 0.523 R E 0.722 I E 0.886 I E 0.932 L E 0.921 G E 0.851 T E 0.631 H T 0.333 H T 0.541 E T 0.495 K H 0.516 G H 0.636 A H 0.754 F H 0.811 T H 0.824 F H 0.817 W H 0.783 S H 0.777 Y H 0.814 A H 0.716 I H 0.595 G H 0.405 L C 0.415 P T 0.477 L T 0.718 P T 0.692 S T 0.582 S T 0.423 S H 0.558 I H 0.822 L H 0.945 S H 0.989 W H 0.992 K H 0.997 F H 0.996 C H 0.997 H H 0.997 V H 0.998 L H 0.998 H H 0.997 K H 0.995 V H 0.993 L H 0.989 R H 0.958 D H 0.869 G C 0.590 H C 0.534 P H 0.433 N H 0.416 V H 0.593 L H 0.666 H H 0.710 D H 0.751 C H 0.775 Q H 0.754 R H 0.618 Y H 0.502 R H 0.616 S H 0.513 N H 0.603 I H 0.536 R H 0.515 E H 0.477 I H 0.602 G H 0.543 D H 0.516 L H 0.398 W T 0.352 G T 0.479 H T 0.534 L T 0.538 R T 0.557 D T 0.564 Q T 0.469 Y H 0.494 G H 0.656 H H 0.827 L H 0.913 V H 0.952 N H 0.961 I H 0.977 Y H 0.984 T H 0.982 K H 0.974 L H 0.968 L H 0.984 L H 0.988 T H 0.985 K H 0.974 I H 0.958 S H 0.932 F H 0.891 H H 0.764 L H 0.620 K H 0.395 H T 0.762 P T 0.782 Q T 0.807 F T 0.837 P T 0.658 A T 0.589 G T 0.626 L T 0.473 E T 0.394 V T 0.330 T C 0.402 D H 0.312 E H 0.481 V H 0.519 L H 0.581 E H 0.528 K H 0.576 A H 0.473 A H 0.289 G T 0.398 T C 0.385 D T 0.566 V T 0.637 N T 0.574 N T 0.496 I H 0.262 F E 0.603 Q E 0.823 L E 0.825 T E 0.852 V E 0.774 E E 0.668 M H 0.504 F H 0.660 D H 0.664 Y H 0.778 M H 0.852 D H 0.853 C H 0.771 E H 0.852 L H 0.857 K H 0.938 L H 0.973 S H 0.974 E H 0.987 S H 0.983 V H 0.985 F H 0.946 R H 0.934 Q H 0.924 L H 0.878 N H 0.706 T H 0.500 A C 0.318 I C 0.381 A C 0.349 V T 0.380 S T 0.450 Q T 0.495 M T 0.532 S T 0.664 S T 0.637 G T 0.627 Q H 0.490 C E 0.447 R E 0.595 L H 0.407 A H 0.691 P H 0.883 L H 0.941 I H 0.991 Q H 0.991 V H 0.994 I H 0.995 Q H 0.994 D H 0.993 C H 0.988 S H 0.971 H H 0.913 L H 0.975 Y H 0.997 H H 0.999 Y H 0.999 T H 0.999 V H 0.999 K H 0.999 L H 0.999 M H 0.996 F H 0.985 K H 0.956 L H 0.893 H H 0.687 S H 0.521 C H 0.342 L C 0.449 P C 0.661 A H 0.698 D H 0.709 T H 0.800 L H 0.902 Q H 0.919 G H 0.908 H H 0.906 R H 0.917 D H 0.904 R H 0.914 F H 0.939 H H 0.934 E H 0.939 Q H 0.951 F H 0.966 H H 0.946 S H 0.952 L H 0.967 R H 0.963 N H 0.956 F H 0.950 F H 0.929 R H 0.846 R H 0.707 A H 0.659 S H 0.376 D H 0.733 M H 0.725 L H 0.662 Y H 0.568 F H 0.462 K H 0.429 R H 0.416 L H 0.292 I C 0.308 Q E 0.457 I C 0.354 P C 0.496 R C 0.489 L C 0.517 P T 0.501 E T 0.469 G T 0.500 P T 0.592 P T 0.441 N T 0.473 F T 0.452 L T 0.324 R C 0.295 A H 0.373 S H 0.322 A H 0.436 L H 0.579 A H 0.472 E H 0.485 H H 0.390 I H 0.319 K C 0.489 P C 0.599 V C 0.608 V C 0.687 V C 0.558 I C 0.519 P C 0.484 E C 0.413 E C 0.458 A C 0.608 P C 0.764 E C 0.812 E C 0.959 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 16 19:01:18 2002 Date: Tue, 16 Jul 2002 19:01:13 -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 18:34:20 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_459547_12189 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0133SS389_1 Current information on models submitted in prediction T0133SS389 MODEL_INDEX PIN CODE DATE E-mail T0133SS389_1 PIN_459547_12189 1549-8716-6404 07/16/02 18:34:20 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 T0133 MODEL_INDEX PIN CODE DATE E-mail T0133SS389_1 PIN_459547_12189 1549-8716-6404 07/16/02 18:34:20 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 T0133 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: 312 # Number of residues with nonzero confidence: 312 # Number of METHOD records: 46 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0133 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD preds/T0133.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD preds/T0133.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/T0133.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0133 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 T0133.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 13 METHOD METHOD ============================================ METHOD Comments from preds/T0133.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0133 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 T0133.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 13 METHOD METHOD ============================================ MODEL 1 M C 0.93 N C 0.82 S C 0.76 I C 0.63 K C 0.65 N C 0.62 V C 0.65 P C 0.66 A C 0.42 R H 0.38 V H 0.38 L C 0.36 S C 0.54 R C 0.69 R C 0.88 P C 0.92 G C 0.93 H C 0.80 S C 0.62 L C 0.49 E H 0.56 A H 0.60 E H 0.64 R H 0.77 E H 0.80 Q H 0.79 F H 0.79 D H 0.84 K H 0.91 T H 0.90 Q H 0.94 A H 0.96 I H 0.96 S H 0.96 I H 0.95 S H 0.94 K H 0.85 A H 0.79 I C 0.49 N C 0.80 S C 0.60 Q C 0.53 E C 0.57 A C 0.81 P C 0.88 V C 0.85 K C 0.80 E C 0.50 K C 0.51 H C 0.48 A H 0.53 R H 0.53 R H 0.51 I H 0.48 I E 0.49 L E 0.54 G E 0.55 T C 0.49 H C 0.60 H C 0.65 E H 0.54 K H 0.63 G H 0.66 A H 0.78 F H 0.84 T H 0.86 F H 0.86 W H 0.85 S H 0.84 Y H 0.85 A H 0.75 I H 0.61 G H 0.45 L C 0.65 P C 0.80 L C 0.79 P C 0.82 S C 0.81 S C 0.78 S H 0.51 I H 0.80 L H 0.91 S H 0.95 W H 0.96 K H 0.97 F H 0.97 C H 0.97 H H 0.97 V H 0.97 L H 0.97 H H 0.97 K H 0.97 V H 0.96 L H 0.96 R H 0.91 D H 0.68 G C 0.79 H C 0.91 P C 0.64 N C 0.61 V H 0.57 L H 0.60 H H 0.79 D H 0.79 C H 0.75 Q H 0.73 R H 0.67 Y H 0.62 R H 0.73 S H 0.70 N H 0.74 I H 0.73 R H 0.71 E H 0.67 I H 0.76 G H 0.75 D H 0.71 L H 0.57 W C 0.55 G C 0.74 H C 0.79 L C 0.80 R C 0.74 D C 0.70 Q C 0.71 Y C 0.52 G H 0.63 H H 0.84 L H 0.92 V H 0.95 N H 0.96 I H 0.96 Y H 0.97 T H 0.97 K H 0.96 L H 0.95 L H 0.96 L H 0.96 T H 0.95 K H 0.94 I H 0.92 S H 0.87 F H 0.81 H H 0.70 L H 0.53 K C 0.56 H C 0.87 P C 0.86 Q C 0.80 F C 0.83 P C 0.84 A C 0.83 G C 0.80 L C 0.75 E C 0.70 V C 0.61 T C 0.67 D H 0.71 E H 0.76 V H 0.74 L H 0.71 E H 0.64 K H 0.67 A H 0.58 A C 0.53 G C 0.72 T C 0.76 D C 0.85 V C 0.77 N C 0.77 N C 0.67 I C 0.50 F E 0.48 Q E 0.67 L E 0.62 T E 0.62 V E 0.49 E E 0.39 M H 0.68 F H 0.79 D H 0.79 Y H 0.84 M H 0.85 D H 0.80 C H 0.76 E H 0.86 L H 0.89 K H 0.92 L H 0.95 S H 0.95 E H 0.96 S H 0.96 V H 0.96 F H 0.95 R H 0.92 Q H 0.89 L H 0.79 N H 0.52 T C 0.57 A C 0.65 I C 0.70 A C 0.67 V C 0.68 S C 0.68 Q C 0.65 M C 0.73 S C 0.78 S C 0.80 G C 0.81 Q C 0.51 C E 0.53 R E 0.52 L H 0.42 A H 0.74 P H 0.88 L H 0.94 I H 0.96 Q H 0.96 V H 0.96 I H 0.96 Q H 0.95 D H 0.90 C H 0.84 S H 0.78 H H 0.76 L H 0.91 Y H 0.95 H H 0.97 Y H 0.97 T H 0.97 V H 0.97 K H 0.97 L H 0.96 M H 0.96 F H 0.95 K H 0.90 L H 0.83 H H 0.67 S C 0.51 C C 0.66 L C 0.86 P C 0.90 A H 0.75 D H 0.81 T H 0.88 L H 0.90 Q H 0.91 G H 0.92 H H 0.92 R H 0.95 D H 0.94 R H 0.94 F H 0.94 H H 0.94 E H 0.94 Q H 0.94 F H 0.95 H H 0.92 S H 0.92 L H 0.94 R H 0.95 N H 0.94 F H 0.94 F H 0.92 R H 0.81 R H 0.64 A H 0.60 S C 0.61 D C 0.50 M H 0.77 L H 0.75 Y H 0.73 F H 0.66 K H 0.63 R H 0.53 L C 0.40 I C 0.49 Q C 0.58 I C 0.68 P C 0.82 R C 0.80 L C 0.86 P C 0.91 E C 0.88 G C 0.90 P C 0.91 P C 0.85 N C 0.78 F C 0.66 L C 0.64 R C 0.68 A H 0.64 S H 0.61 A H 0.61 L H 0.72 A H 0.75 E H 0.68 H H 0.58 I C 0.67 K C 0.82 P C 0.84 V C 0.85 V C 0.83 V C 0.72 I C 0.70 P C 0.78 E C 0.78 E C 0.82 A C 0.87 P C 0.90 E C 0.93 E C 0.98 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 08:59:29 2002 Date: Wed, 24 Jul 2002 08:59:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0133 TS samt02.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jul 24 08:32:03 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_451403_13651 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0133TS189_1 Current information on models submitted in prediction T0133TS189 MODEL_INDEX PIN CODE DATE E-mail T0133TS189_1 PIN_451403_13651 5035-2079-5263 07/24/02 08:32:03 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 T0133 MODEL_INDEX PIN CODE DATE E-mail T0133TS189_1 PIN_451403_13651 5035-2079-5263 07/24/02 08:32:03 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 T0133 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1HG5_A # Loading PARENT structure: 1hg5 (chain: A) # Number of residues in PARENT structure: 263 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue D 28 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 K 29 # IMPORTANT NOTE! Not complete main chain atoms for residue T 30 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 31 # IMPORTANT NOTE! Not complete main chain atoms for residue A 32 # IMPORTANT NOTE! Not complete main chain atoms for residue I 33 # IMPORTANT NOTE! Not complete main chain atoms for residue S 34 # IMPORTANT NOTE! Not complete main chain atoms for residue I 35 # IMPORTANT NOTE! Not complete main chain atoms for residue S 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue A 38 # IMPORTANT NOTE! Not complete main chain atoms for residue I 39 # IMPORTANT NOTE! Not complete main chain atoms for residue N 40 # IMPORTANT NOTE! Not complete main chain atoms for residue S 41 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 42 # IMPORTANT NOTE! Not complete main chain atoms for residue E 43 # IMPORTANT NOTE! Not complete main chain atoms for residue A 44 # IMPORTANT NOTE! Not complete main chain atoms for residue P 45 # IMPORTANT NOTE! Not complete main chain atoms for residue V 46 # IMPORTANT NOTE! Not complete main chain atoms for residue K 47 # IMPORTANT NOTE! Not complete main chain atoms for residue E 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue H 50 # IMPORTANT NOTE! Not complete main chain atoms for residue A 51 # IMPORTANT NOTE! Not complete main chain atoms for residue R 52 # IMPORTANT NOTE! Not complete main chain atoms for residue R 53 # IMPORTANT NOTE! Not complete main chain atoms for residue I 54 # IMPORTANT NOTE! Not complete main chain atoms for residue I 55 # IMPORTANT NOTE! Not complete main chain atoms for residue L 56 # IMPORTANT NOTE! Not complete main chain atoms for residue G 57 # IMPORTANT NOTE! Not complete main chain atoms for residue T 58 # IMPORTANT NOTE! Not complete main chain atoms for residue H 59 # IMPORTANT NOTE! Not complete main chain atoms for residue H 60 # IMPORTANT NOTE! Not complete main chain atoms for residue E 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue G 63 # IMPORTANT NOTE! Not complete main chain atoms for residue A 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue T 66 # IMPORTANT NOTE! Not complete main chain atoms for residue F 67 # IMPORTANT NOTE! Not complete main chain atoms for residue W 68 # IMPORTANT NOTE! Not complete main chain atoms for residue S 69 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 70 # IMPORTANT NOTE! Not complete main chain atoms for residue A 71 # IMPORTANT NOTE! Not complete main chain atoms for residue I 72 # IMPORTANT NOTE! Not complete main chain atoms for residue G 73 # IMPORTANT NOTE! Not complete main chain atoms for residue L 74 # IMPORTANT NOTE! Not complete main chain atoms for residue P 75 # IMPORTANT NOTE! Not complete main chain atoms for residue L 76 # IMPORTANT NOTE! Not complete main chain atoms for residue P 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue S 79 # IMPORTANT NOTE! Not complete main chain atoms for residue S 80 # IMPORTANT NOTE! Not complete main chain atoms for residue I 81 # IMPORTANT NOTE! Not complete main chain atoms for residue L 82 # IMPORTANT NOTE! Not complete main chain atoms for residue S 83 # IMPORTANT NOTE! Not complete main chain atoms for residue W 84 # IMPORTANT NOTE! Not complete main chain atoms for residue K 85 # IMPORTANT NOTE! Not complete main chain atoms for residue F 86 # IMPORTANT NOTE! Not complete main chain atoms for residue C 87 # IMPORTANT NOTE! Not complete main chain atoms for residue H 88 # IMPORTANT NOTE! Not complete main chain atoms for residue V 89 # IMPORTANT NOTE! Not complete main chain atoms for residue L 90 # IMPORTANT NOTE! Not complete main chain atoms for residue H 91 # IMPORTANT NOTE! Not complete main chain atoms for residue K 92 # IMPORTANT NOTE! Not complete main chain atoms for residue V 93 # IMPORTANT NOTE! Not complete main chain atoms for residue L 94 # IMPORTANT NOTE! Not complete main chain atoms for residue R 95 # IMPORTANT NOTE! Not complete main chain atoms for residue D 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue H 98 # IMPORTANT NOTE! Not complete main chain atoms for residue P 99 # IMPORTANT NOTE! Not complete main chain atoms for residue N 100 # IMPORTANT NOTE! Not complete main chain atoms for residue V 101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 102 # IMPORTANT NOTE! Not complete main chain atoms for residue H 103 # IMPORTANT NOTE! Not complete main chain atoms for residue D 104 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 108 # IMPORTANT NOTE! Not complete main chain atoms for residue R 109 # IMPORTANT NOTE! Not complete main chain atoms for residue S 110 # IMPORTANT NOTE! Not complete main chain atoms for residue N 111 # IMPORTANT NOTE! Not complete main chain atoms for residue I 112 # IMPORTANT NOTE! Not complete main chain atoms for residue R 113 # IMPORTANT NOTE! Not complete main chain atoms for residue E 114 # IMPORTANT NOTE! Not complete main chain atoms for residue I 115 # IMPORTANT NOTE! Not complete main chain atoms for residue G 116 # IMPORTANT NOTE! Not complete main chain atoms for residue D 117 # IMPORTANT NOTE! Not complete main chain atoms for residue L 118 # IMPORTANT NOTE! Not complete main chain atoms for residue W 119 # IMPORTANT NOTE! Not complete main chain atoms for residue G 120 # IMPORTANT NOTE! Not complete main chain atoms for residue H 121 # IMPORTANT NOTE! Not complete main chain atoms for residue L 122 # IMPORTANT NOTE! Not complete main chain atoms for residue R 123 # IMPORTANT NOTE! Not complete main chain atoms for residue D 124 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 125 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 126 # IMPORTANT NOTE! Not complete main chain atoms for residue G 127 # IMPORTANT NOTE! Not complete main chain atoms for residue H 128 # IMPORTANT NOTE! Not complete main chain atoms for residue L 129 # IMPORTANT NOTE! Not complete main chain atoms for residue V 130 # IMPORTANT NOTE! Not complete main chain atoms for residue N 131 # IMPORTANT NOTE! Not complete main chain atoms for residue I 132 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 133 # IMPORTANT NOTE! Not complete main chain atoms for residue T 134 # IMPORTANT NOTE! Not complete main chain atoms for residue K 135 # IMPORTANT NOTE! Not complete main chain atoms for residue L 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 137 # IMPORTANT NOTE! Not complete main chain atoms for residue L 138 # IMPORTANT NOTE! Not complete main chain atoms for residue T 139 # IMPORTANT NOTE! Not complete main chain atoms for residue K 140 # IMPORTANT NOTE! Not complete main chain atoms for residue I 141 # IMPORTANT NOTE! Not complete main chain atoms for residue S 142 # IMPORTANT NOTE! Not complete main chain atoms for residue F 143 # IMPORTANT NOTE! Not complete main chain atoms for residue H 144 # IMPORTANT NOTE! Not complete main chain atoms for residue L 145 # IMPORTANT NOTE! Not complete main chain atoms for residue K 146 # IMPORTANT NOTE! Not complete main chain atoms for residue H 147 # IMPORTANT NOTE! Not complete main chain atoms for residue P 148 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 149 # IMPORTANT NOTE! Not complete main chain atoms for residue F 150 # IMPORTANT NOTE! Not complete main chain atoms for residue P 151 # IMPORTANT NOTE! Not complete main chain atoms for residue A 152 # IMPORTANT NOTE! Not complete main chain atoms for residue G 153 # IMPORTANT NOTE! Not complete main chain atoms for residue L 154 # IMPORTANT NOTE! Not complete main chain atoms for residue E 155 # IMPORTANT NOTE! Not complete main chain atoms for residue V 156 # IMPORTANT NOTE! Not complete main chain atoms for residue T 157 # IMPORTANT NOTE! Not complete main chain atoms for residue N 170 # IMPORTANT NOTE! Not complete main chain atoms for residue N 171 # IMPORTANT NOTE! Not complete main chain atoms for residue I 172 # IMPORTANT NOTE! Not complete main chain atoms for residue F 173 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 174 # IMPORTANT NOTE! Not complete main chain atoms for residue L 175 # IMPORTANT NOTE! Not complete main chain atoms for residue T 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue E 178 # IMPORTANT NOTE! Not complete main chain atoms for residue M 179 # IMPORTANT NOTE! Not complete main chain atoms for residue F 180 # IMPORTANT NOTE! Not complete main chain atoms for residue D 181 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 182 # IMPORTANT NOTE! Not complete main chain atoms for residue M 183 # IMPORTANT NOTE! Not complete main chain atoms for residue D 184 # IMPORTANT NOTE! Not complete main chain atoms for residue C 185 # IMPORTANT NOTE! Not complete main chain atoms for residue E 186 # IMPORTANT NOTE! Not complete main chain atoms for residue L 187 # IMPORTANT NOTE! Not complete main chain atoms for residue K 188 # IMPORTANT NOTE! Not complete main chain atoms for residue L 189 # IMPORTANT NOTE! Not complete main chain atoms for residue S 190 # IMPORTANT NOTE! Not complete main chain atoms for residue E 191 # IMPORTANT NOTE! Not complete main chain atoms for residue S 192 # IMPORTANT NOTE! Not complete main chain atoms for residue V 193 # IMPORTANT NOTE! Not complete main chain atoms for residue F 194 # IMPORTANT NOTE! Not complete main chain atoms for residue R 195 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 196 # IMPORTANT NOTE! Not complete main chain atoms for residue L 197 # IMPORTANT NOTE! Not complete main chain atoms for residue N 198 # IMPORTANT NOTE! Not complete main chain atoms for residue T 199 # IMPORTANT NOTE! Not complete main chain atoms for residue A 200 # IMPORTANT NOTE! Not complete main chain atoms for residue I 201 # IMPORTANT NOTE! Not complete main chain atoms for residue A 202 # IMPORTANT NOTE! Not complete main chain atoms for residue V 203 # IMPORTANT NOTE! Not complete main chain atoms for residue S 204 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 205 # IMPORTANT NOTE! Not complete main chain atoms for residue M 206 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue G 209 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 210 # IMPORTANT NOTE! Not complete main chain atoms for residue C 211 # IMPORTANT NOTE! Not complete main chain atoms for residue R 212 # IMPORTANT NOTE! Not complete main chain atoms for residue L 213 # IMPORTANT NOTE! Not complete main chain atoms for residue A 214 # IMPORTANT NOTE! Not complete main chain atoms for residue P 215 # IMPORTANT NOTE! Not complete main chain atoms for residue L 216 # IMPORTANT NOTE! Not complete main chain atoms for residue I 217 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 218 # IMPORTANT NOTE! Not complete main chain atoms for residue V 219 # IMPORTANT NOTE! Not complete main chain atoms for residue I 220 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 221 # IMPORTANT NOTE! Not complete main chain atoms for residue D 222 # IMPORTANT NOTE! Not complete main chain atoms for residue C 223 # IMPORTANT NOTE! Not complete main chain atoms for residue S 224 # IMPORTANT NOTE! Not complete main chain atoms for residue H 225 # IMPORTANT NOTE! Not complete main chain atoms for residue L 226 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 227 # IMPORTANT NOTE! Not complete main chain atoms for residue H 228 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 229 # IMPORTANT NOTE! Not complete main chain atoms for residue T 230 # IMPORTANT NOTE! Not complete main chain atoms for residue V 231 # IMPORTANT NOTE! Not complete main chain atoms for residue K 232 # IMPORTANT NOTE! Not complete main chain atoms for residue L 233 # IMPORTANT NOTE! Not complete main chain atoms for residue M 234 # IMPORTANT NOTE! Not complete main chain atoms for residue F 235 # IMPORTANT NOTE! Not complete main chain atoms for residue K 236 # IMPORTANT NOTE! Not complete main chain atoms for residue L 237 # IMPORTANT NOTE! Not complete main chain atoms for residue H 238 # IMPORTANT NOTE! Not complete main chain atoms for residue S 239 # IMPORTANT NOTE! Not complete main chain atoms for residue C 240 # IMPORTANT NOTE! Not complete main chain atoms for residue L 241 # IMPORTANT NOTE! Not complete main chain atoms for residue P 242 # IMPORTANT NOTE! Not complete main chain atoms for residue A 243 # IMPORTANT NOTE! Not complete main chain atoms for residue D 244 # IMPORTANT NOTE! Not complete main chain atoms for residue T 245 # IMPORTANT NOTE! Not complete main chain atoms for residue L 246 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 247 # IMPORTANT NOTE! Not complete main chain atoms for residue G 248 # IMPORTANT NOTE! Not complete main chain atoms for residue H 249 # IMPORTANT NOTE! Not complete main chain atoms for residue R 250 # IMPORTANT NOTE! Not complete main chain atoms for residue R 252 # IMPORTANT NOTE! Not complete main chain atoms for residue F 253 # IMPORTANT NOTE! Not complete main chain atoms for residue H 254 # IMPORTANT NOTE! Not complete main chain atoms for residue E 255 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 256 # IMPORTANT NOTE! Not complete main chain atoms for residue F 257 # IMPORTANT NOTE! Not complete main chain atoms for residue H 258 # IMPORTANT NOTE! Not complete main chain atoms for residue S 259 # IMPORTANT NOTE! Not complete main chain atoms for residue L 260 # IMPORTANT NOTE! Not complete main chain atoms for residue R 261 # IMPORTANT NOTE! Not complete main chain atoms for residue N 262 # IMPORTANT NOTE! Not complete main chain atoms for residue F 263 # IMPORTANT NOTE! Not complete main chain atoms for residue F 264 # IMPORTANT NOTE! Not complete main chain atoms for residue R 265 # IMPORTANT NOTE! Not complete main chain atoms for residue R 266 # IMPORTANT NOTE! Not complete main chain atoms for residue A 267 # IMPORTANT NOTE! Not complete main chain atoms for residue S 268 # IMPORTANT NOTE! Not complete main chain atoms for residue D 269 # IMPORTANT NOTE! Not complete main chain atoms for residue M 270 # IMPORTANT NOTE! Not complete main chain atoms for residue L 271 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 272 # IMPORTANT NOTE! Not complete main chain atoms for residue F 273 # IMPORTANT NOTE! Not complete main chain atoms for residue K 274 # IMPORTANT NOTE! Not complete main chain atoms for residue R 275 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 278 # IMPORTANT NOTE! Not complete main chain atoms for residue I 279 # IMPORTANT NOTE! Not complete main chain atoms for residue P 280 # IMPORTANT NOTE! Not complete main chain atoms for residue R 281 # IMPORTANT NOTE! Not complete main chain atoms for residue L 282 # IMPORTANT NOTE! Not complete main chain atoms for residue P 283 # IMPORTANT NOTE! Not complete main chain atoms for residue E 284 # IMPORTANT NOTE! Not complete main chain atoms for residue G 285 # IMPORTANT NOTE! Not complete main chain atoms for residue P 286 # IMPORTANT NOTE! Not complete main chain atoms for residue P 287 # IMPORTANT NOTE! Not complete main chain atoms for residue N 288 # IMPORTANT NOTE! Not complete main chain atoms for residue F 289 # IMPORTANT NOTE! Not complete main chain atoms for residue L 290 # IMPORTANT NOTE! Not complete main chain atoms for residue R 291 # IMPORTANT NOTE! Not complete main chain atoms for residue A 294 # IMPORTANT NOTE! Not complete main chain atoms for residue L 295 # IMPORTANT NOTE! Not complete main chain atoms for residue A 296 # IMPORTANT NOTE! Not complete main chain atoms for residue V 303 # IMPORTANT NOTE! Not complete main chain atoms for residue V 304 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0133 # Total number of residues in target: 312 # Total number of residues in model: 252 # Total number of atoms in model: 252 # Number of atoms with 1.0 occupancy: 252 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 252 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0133 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1HG5_A ATOM 19 CA ASP 28 47.114 57.177 57.087 1.00 1.00 ATOM 20 CA LYS 29 46.451 60.819 56.258 1.00 1.00 ATOM 21 CA THR 30 47.369 59.783 52.604 1.00 1.00 ATOM 22 CA GLN 31 44.863 56.883 52.959 1.00 1.00 ATOM 23 CA ALA 32 42.198 58.955 54.543 1.00 1.00 ATOM 24 CA ILE 33 42.473 61.733 51.993 1.00 1.00 ATOM 25 CA SER 34 42.156 59.203 49.119 1.00 1.00 ATOM 26 CA ILE 35 39.044 57.721 50.682 1.00 1.00 ATOM 27 CA SER 36 37.638 61.273 50.618 1.00 1.00 ATOM 28 CA LYS 37 38.559 61.748 47.008 1.00 1.00 ATOM 29 CA ALA 38 36.859 58.494 46.094 1.00 1.00 ATOM 30 CA ILE 39 33.726 59.649 47.741 1.00 1.00 ATOM 31 CA ASN 40 33.119 63.152 46.771 1.00 1.00 ATOM 32 CA SER 41 29.733 64.679 46.057 1.00 1.00 ATOM 33 CA GLN 42 30.334 64.455 42.328 1.00 1.00 ATOM 34 CA GLU 43 27.784 62.291 40.316 1.00 1.00 ATOM 35 CA ALA 44 29.985 59.600 39.021 1.00 1.00 ATOM 36 CA PRO 45 31.538 56.466 40.371 1.00 1.00 ATOM 37 CA VAL 46 34.876 56.734 42.165 1.00 1.00 ATOM 38 CA LYS 47 37.714 57.500 39.836 1.00 1.00 ATOM 39 CA GLU 48 40.128 54.727 38.679 1.00 1.00 ATOM 40 CA LYS 49 43.105 56.713 40.013 1.00 1.00 ATOM 41 CA HIS 50 41.828 56.742 43.655 1.00 1.00 ATOM 42 CA ALA 51 40.688 53.114 43.329 1.00 1.00 ATOM 43 CA ARG 52 44.133 51.908 42.112 1.00 1.00 ATOM 44 CA ARG 53 45.865 53.682 45.090 1.00 1.00 ATOM 45 CA ILE 54 43.461 52.009 47.502 1.00 1.00 ATOM 46 CA ILE 55 43.995 48.623 46.003 1.00 1.00 ATOM 47 CA LEU 56 47.748 49.207 46.425 1.00 1.00 ATOM 48 CA GLY 57 47.067 50.057 50.006 1.00 1.00 ATOM 49 CA THR 58 45.507 46.691 50.653 1.00 1.00 ATOM 50 CA HIS 59 48.494 45.016 49.248 1.00 1.00 ATOM 51 CA HIS 60 51.048 46.683 51.664 1.00 1.00 ATOM 52 CA GLU 61 51.829 44.853 54.883 1.00 1.00 ATOM 53 CA LYS 62 52.309 48.003 56.795 1.00 1.00 ATOM 55 CA GLY 63 46.514 49.197 58.773 1.00 1.00 ATOM 56 CA ALA 64 43.380 47.710 57.264 1.00 1.00 ATOM 57 CA PHE 65 41.014 48.665 60.073 1.00 1.00 ATOM 58 CA THR 66 41.707 52.327 59.800 1.00 1.00 ATOM 59 CA PHE 67 41.078 52.112 56.018 1.00 1.00 ATOM 60 CA TRP 68 37.736 50.336 56.605 1.00 1.00 ATOM 61 CA SER 69 36.674 52.720 59.282 1.00 1.00 ATOM 62 CA TYR 70 37.143 55.660 57.056 1.00 1.00 ATOM 63 CA ALA 71 34.796 53.995 54.491 1.00 1.00 ATOM 64 CA ILE 72 32.163 53.269 57.203 1.00 1.00 ATOM 65 CA GLY 73 32.301 56.900 58.269 1.00 1.00 ATOM 66 CA LEU 74 31.628 58.137 54.840 1.00 1.00 ATOM 67 CA PRO 75 28.405 56.023 55.023 1.00 1.00 ATOM 68 CA LEU 76 26.999 58.167 57.859 1.00 1.00 ATOM 69 CA PRO 77 26.894 61.089 55.514 1.00 1.00 ATOM 70 CA SER 78 23.466 62.434 54.753 1.00 1.00 ATOM 71 CA SER 79 24.055 62.631 50.993 1.00 1.00 ATOM 72 CA SER 80 23.067 59.682 48.747 1.00 1.00 ATOM 73 CA ILE 81 25.950 60.318 46.447 1.00 1.00 ATOM 74 CA LEU 82 28.614 60.089 49.152 1.00 1.00 ATOM 75 CA SER 83 27.122 57.007 50.698 1.00 1.00 ATOM 76 CA TRP 84 26.653 55.134 47.406 1.00 1.00 ATOM 77 CA LYS 85 30.233 55.896 46.341 1.00 1.00 ATOM 78 CA PHE 86 31.516 54.603 49.634 1.00 1.00 ATOM 79 CA CYS 87 29.623 51.370 49.065 1.00 1.00 ATOM 80 CA HIS 88 30.969 51.087 45.570 1.00 1.00 ATOM 81 CA VAL 89 34.595 51.671 46.754 1.00 1.00 ATOM 82 CA LEU 90 34.144 48.944 49.331 1.00 1.00 ATOM 83 CA HIS 91 32.773 46.443 46.743 1.00 1.00 ATOM 84 CA LYS 92 35.638 47.302 44.315 1.00 1.00 ATOM 85 CA VAL 93 38.198 46.583 47.147 1.00 1.00 ATOM 86 CA LEU 94 36.519 43.283 47.966 1.00 1.00 ATOM 87 CA ARG 95 36.881 42.277 44.314 1.00 1.00 ATOM 88 CA ASP 96 40.283 43.678 43.310 1.00 1.00 ATOM 89 CA GLY 97 42.023 44.160 46.683 1.00 1.00 ATOM 90 CA HIS 98 44.125 41.725 48.676 1.00 1.00 ATOM 91 CA PRO 99 42.171 39.061 50.510 1.00 1.00 ATOM 92 CA ASN 100 43.130 40.548 53.800 1.00 1.00 ATOM 93 CA VAL 101 40.491 43.259 53.200 1.00 1.00 ATOM 94 CA LEU 102 37.515 41.047 52.948 1.00 1.00 ATOM 95 CA HIS 103 38.976 38.899 55.797 1.00 1.00 ATOM 96 CA ASP 104 38.862 41.929 58.076 1.00 1.00 ATOM 97 CA GLN 106 35.333 42.835 56.999 1.00 1.00 ATOM 98 CA ARG 107 34.135 39.388 57.698 1.00 1.00 ATOM 99 CA TYR 108 35.749 39.475 61.231 1.00 1.00 ATOM 100 CA ARG 109 33.607 42.290 62.608 1.00 1.00 ATOM 101 CA SER 110 30.210 41.935 64.131 1.00 1.00 ATOM 102 CA ASN 111 28.449 44.803 62.538 1.00 1.00 ATOM 103 CA ILE 112 28.969 46.017 58.960 1.00 1.00 ATOM 104 CA ARG 113 26.725 48.420 57.089 1.00 1.00 ATOM 105 CA GLU 114 23.693 49.656 58.772 1.00 1.00 ATOM 106 CA ILE 115 21.758 51.496 56.164 1.00 1.00 ATOM 107 CA GLY 116 18.361 49.673 56.298 1.00 1.00 ATOM 108 CA ASP 117 16.573 52.883 56.947 1.00 1.00 ATOM 109 CA LEU 118 18.647 55.261 54.783 1.00 1.00 ATOM 110 CA TRP 119 16.625 58.013 53.042 1.00 1.00 ATOM 111 CA GLY 120 18.001 61.173 51.398 1.00 1.00 ATOM 112 CA HIS 121 14.989 63.543 50.834 1.00 1.00 ATOM 113 CA LEU 122 16.890 66.417 49.497 1.00 1.00 ATOM 114 CA ARG 123 15.776 65.952 45.966 1.00 1.00 ATOM 118 CA ASP 124 14.517 59.468 47.065 1.00 1.00 ATOM 119 CA GLN 125 14.876 57.181 44.085 1.00 1.00 ATOM 120 CA TYR 126 18.626 56.202 44.846 1.00 1.00 ATOM 121 CA GLY 127 17.866 55.585 48.533 1.00 1.00 ATOM 122 CA HIS 128 16.137 52.358 47.795 1.00 1.00 ATOM 123 CA LEU 129 19.138 51.027 45.844 1.00 1.00 ATOM 124 CA VAL 130 21.506 51.984 48.672 1.00 1.00 ATOM 125 CA ASN 131 19.527 49.858 51.075 1.00 1.00 ATOM 126 CA ILE 132 19.578 46.888 48.799 1.00 1.00 ATOM 127 CA TYR 133 23.226 47.236 47.771 1.00 1.00 ATOM 128 CA THR 134 24.446 47.523 51.355 1.00 1.00 ATOM 129 CA LYS 135 22.566 44.358 52.298 1.00 1.00 ATOM 130 CA LEU 136 24.282 42.498 49.449 1.00 1.00 ATOM 131 CA LEU 137 27.757 43.726 50.643 1.00 1.00 ATOM 132 CA LEU 138 26.929 42.548 54.206 1.00 1.00 ATOM 133 CA THR 139 25.986 39.125 52.914 1.00 1.00 ATOM 134 CA LYS 140 29.141 38.933 50.875 1.00 1.00 ATOM 135 CA ILE 141 31.134 39.434 54.051 1.00 1.00 ATOM 136 CA SER 142 29.067 36.930 56.016 1.00 1.00 ATOM 137 CA PHE 143 29.488 34.325 53.439 1.00 1.00 ATOM 138 CA HIS 144 33.275 34.708 53.604 1.00 1.00 ATOM 139 CA LEU 145 33.111 34.341 57.350 1.00 1.00 ATOM 140 CA LYS 146 31.061 31.148 57.148 1.00 1.00 ATOM 141 CA HIS 147 33.145 29.212 54.600 1.00 1.00 ATOM 142 CA PRO 148 36.559 30.844 54.660 1.00 1.00 ATOM 143 CA GLN 149 36.966 31.440 50.937 1.00 1.00 ATOM 144 CA PHE 150 35.416 33.814 48.323 1.00 1.00 ATOM 145 CA PRO 151 33.094 31.920 45.999 1.00 1.00 ATOM 146 CA ALA 152 33.908 34.330 43.257 1.00 1.00 ATOM 147 CA GLY 153 37.625 33.794 43.242 1.00 1.00 ATOM 148 CA LEU 154 38.311 30.063 43.731 1.00 1.00 ATOM 149 CA GLU 155 39.537 27.637 40.971 1.00 1.00 ATOM 150 CA VAL 156 36.848 26.527 38.631 1.00 1.00 ATOM 151 CA THR 157 36.708 23.525 36.354 1.00 1.00 ATOM 152 CA ASN 170 37.169 19.918 37.510 1.00 1.00 ATOM 153 CA ASN 171 40.279 20.436 39.601 1.00 1.00 ATOM 154 CA ILE 172 38.692 23.247 41.685 1.00 1.00 ATOM 155 CA PHE 173 37.015 23.657 45.053 1.00 1.00 ATOM 156 CA GLN 174 33.414 23.956 44.307 1.00 1.00 ATOM 157 CA LEU 175 33.746 20.797 42.209 1.00 1.00 ATOM 158 CA THR 176 36.130 18.523 44.250 1.00 1.00 ATOM 159 CA VAL 177 34.307 18.778 47.605 1.00 1.00 ATOM 160 CA GLU 178 33.111 15.986 49.796 1.00 1.00 ATOM 161 CA MET 179 29.481 15.367 50.193 1.00 1.00 ATOM 162 CA PHE 180 29.340 16.777 53.722 1.00 1.00 ATOM 163 CA ASP 181 30.807 20.254 53.102 1.00 1.00 ATOM 164 CA TYR 182 28.817 20.418 49.812 1.00 1.00 ATOM 165 CA MET 183 25.502 20.069 51.409 1.00 1.00 ATOM 166 CA ASP 184 26.621 22.736 53.702 1.00 1.00 ATOM 167 CA CYS 185 27.964 25.218 51.311 1.00 1.00 ATOM 168 CA GLU 186 25.493 25.319 48.444 1.00 1.00 ATOM 169 CA LEU 187 22.879 26.965 50.635 1.00 1.00 ATOM 170 CA LYS 188 25.324 29.803 51.475 1.00 1.00 ATOM 171 CA LEU 189 25.804 30.554 47.806 1.00 1.00 ATOM 172 CA SER 190 22.105 30.561 47.337 1.00 1.00 ATOM 173 CA GLU 191 21.708 33.010 50.046 1.00 1.00 ATOM 174 CA SER 192 24.372 35.337 48.695 1.00 1.00 ATOM 175 CA VAL 193 22.798 35.040 45.251 1.00 1.00 ATOM 176 CA PHE 194 19.374 35.976 46.588 1.00 1.00 ATOM 177 CA ARG 195 20.683 39.133 48.147 1.00 1.00 ATOM 178 CA GLN 196 22.510 39.977 44.949 1.00 1.00 ATOM 179 CA LEU 197 19.246 39.525 42.904 1.00 1.00 ATOM 180 CA ASN 198 17.169 41.670 45.356 1.00 1.00 ATOM 181 CA THR 199 18.993 44.700 43.960 1.00 1.00 ATOM 182 CA ALA 200 16.113 44.357 41.400 1.00 1.00 ATOM 183 CA ILE 201 16.862 47.169 39.049 1.00 1.00 ATOM 184 CA ALA 202 15.290 47.727 35.564 1.00 1.00 ATOM 185 CA VAL 203 16.965 49.200 32.532 1.00 1.00 ATOM 186 CA SER 204 15.079 52.365 32.733 1.00 1.00 ATOM 187 CA GLN 205 16.333 53.009 36.298 1.00 1.00 ATOM 188 CA MET 206 20.061 52.969 35.277 1.00 1.00 ATOM 189 CA SER 208 20.225 56.671 34.690 1.00 1.00 ATOM 190 CA GLY 209 23.307 58.037 36.301 1.00 1.00 ATOM 191 CA GLN 210 26.984 57.128 36.614 1.00 1.00 ATOM 192 CA CYS 211 26.795 56.109 40.234 1.00 1.00 ATOM 193 CA ARG 212 24.154 53.503 40.018 1.00 1.00 ATOM 194 CA LEU 213 25.659 52.256 36.715 1.00 1.00 ATOM 195 CA ALA 214 29.103 51.702 38.360 1.00 1.00 ATOM 196 CA PRO 215 27.377 49.637 41.036 1.00 1.00 ATOM 197 CA LEU 216 25.529 47.557 38.463 1.00 1.00 ATOM 198 CA ILE 217 28.744 46.750 36.559 1.00 1.00 ATOM 199 CA GLN 218 30.275 45.328 39.672 1.00 1.00 ATOM 200 CA VAL 219 27.113 43.482 40.585 1.00 1.00 ATOM 201 CA ILE 220 27.227 41.954 37.033 1.00 1.00 ATOM 202 CA GLN 221 30.697 40.648 37.580 1.00 1.00 ATOM 203 CA ASP 222 29.901 39.114 40.902 1.00 1.00 ATOM 204 CA CYS 223 26.679 37.536 39.486 1.00 1.00 ATOM 205 CA SER 224 28.457 35.703 36.700 1.00 1.00 ATOM 206 CA HIS 225 31.150 34.275 38.990 1.00 1.00 ATOM 207 CA LEU 226 28.649 33.402 41.642 1.00 1.00 ATOM 208 CA TYR 227 26.549 31.549 39.090 1.00 1.00 ATOM 209 CA HIS 228 29.489 29.610 37.860 1.00 1.00 ATOM 210 CA TYR 229 30.162 28.499 41.358 1.00 1.00 ATOM 211 CA THR 230 26.581 27.656 42.124 1.00 1.00 ATOM 219 CA VAL 231 24.026 15.263 40.754 1.00 1.00 ATOM 220 CA LYS 232 27.303 13.400 40.373 1.00 1.00 ATOM 221 CA LEU 233 26.960 12.237 44.012 1.00 1.00 ATOM 222 CA MET 234 23.161 12.289 44.474 1.00 1.00 ATOM 223 CA PHE 235 22.600 8.518 43.953 1.00 1.00 ATOM 224 CA LYS 236 25.639 7.049 45.925 1.00 1.00 ATOM 225 CA LEU 237 24.395 8.997 49.060 1.00 1.00 ATOM 226 CA HIS 238 22.336 8.394 52.254 1.00 1.00 ATOM 227 CA SER 239 18.641 8.932 52.271 1.00 1.00 ATOM 228 CA CYS 240 18.271 11.988 54.443 1.00 1.00 ATOM 229 CA LEU 241 21.116 13.548 52.549 1.00 1.00 ATOM 230 CA PRO 242 19.293 12.821 49.269 1.00 1.00 ATOM 231 CA ALA 243 16.578 14.833 50.733 1.00 1.00 ATOM 232 CA ASP 244 18.560 17.932 51.585 1.00 1.00 ATOM 233 CA THR 245 20.010 17.531 48.086 1.00 1.00 ATOM 234 CA LEU 246 16.588 17.485 46.477 1.00 1.00 ATOM 235 CA GLN 247 15.726 20.711 48.223 1.00 1.00 ATOM 236 CA GLY 248 18.789 22.536 46.895 1.00 1.00 ATOM 237 CA HIS 249 18.267 21.366 43.269 1.00 1.00 ATOM 238 CA ARG 250 14.859 22.481 43.817 1.00 1.00 ATOM 239 CA ARG 252 15.740 25.982 44.864 1.00 1.00 ATOM 240 CA PHE 253 18.452 26.231 42.203 1.00 1.00 ATOM 241 CA HIS 254 15.872 25.827 39.489 1.00 1.00 ATOM 242 CA GLU 255 13.811 28.816 40.610 1.00 1.00 ATOM 243 CA GLN 256 16.996 30.894 41.042 1.00 1.00 ATOM 244 CA PHE 257 17.879 30.004 37.423 1.00 1.00 ATOM 245 CA HIS 258 14.846 31.784 36.353 1.00 1.00 ATOM 246 CA SER 259 15.713 34.887 38.270 1.00 1.00 ATOM 247 CA LEU 260 19.257 34.939 36.956 1.00 1.00 ATOM 248 CA ARG 261 18.017 34.893 33.499 1.00 1.00 ATOM 249 CA ASN 262 15.861 37.930 34.169 1.00 1.00 ATOM 250 CA PHE 263 18.888 39.707 35.605 1.00 1.00 ATOM 251 CA PHE 264 21.074 38.958 32.479 1.00 1.00 ATOM 252 CA ARG 265 18.327 40.215 30.308 1.00 1.00 ATOM 253 CA ARG 266 18.600 43.598 32.033 1.00 1.00 ATOM 254 CA ALA 267 22.242 43.482 31.188 1.00 1.00 ATOM 255 CA SER 268 21.443 42.665 27.661 1.00 1.00 ATOM 256 CA ASP 269 18.978 45.614 27.430 1.00 1.00 ATOM 257 CA MET 270 21.558 48.054 28.834 1.00 1.00 ATOM 258 CA LEU 271 24.075 47.109 26.140 1.00 1.00 ATOM 259 CA TYR 272 26.676 44.807 27.800 1.00 1.00 ATOM 260 CA PHE 273 28.906 43.027 25.278 1.00 1.00 ATOM 261 CA LYS 274 27.016 39.824 24.513 1.00 1.00 ATOM 262 CA ARG 275 30.314 37.980 24.564 1.00 1.00 ATOM 263 CA GLN 278 30.590 38.641 28.362 1.00 1.00 ATOM 264 CA ILE 279 27.113 37.257 29.119 1.00 1.00 ATOM 265 CA PRO 280 27.190 33.572 29.942 1.00 1.00 ATOM 266 CA ARG 281 25.213 30.892 28.291 1.00 1.00 ATOM 267 CA LEU 282 22.583 29.352 30.441 1.00 1.00 ATOM 268 CA PRO 283 21.515 26.162 28.540 1.00 1.00 ATOM 269 CA GLU 284 22.779 23.849 31.177 1.00 1.00 ATOM 270 CA GLY 285 21.686 21.241 33.897 1.00 1.00 ATOM 271 CA PRO 286 17.885 21.643 34.687 1.00 1.00 ATOM 272 CA PRO 287 16.075 18.780 33.129 1.00 1.00 ATOM 273 CA ASN 288 16.715 15.946 35.693 1.00 1.00 ATOM 274 CA PHE 289 14.015 16.768 38.269 1.00 1.00 ATOM 275 CA LEU 290 13.351 12.955 38.201 1.00 1.00 ATOM 276 CA ARG 291 15.412 11.850 41.146 1.00 1.00 ATOM 277 CA ALA 294 12.441 13.219 43.114 1.00 1.00 ATOM 278 CA LEU 295 11.790 9.477 42.856 1.00 1.00 ATOM 279 CA ALA 296 15.086 7.978 43.855 1.00 1.00 ATOM 280 CA VAL 303 13.320 8.314 47.178 1.00 1.00 ATOM 281 CA VAL 304 11.970 4.961 46.194 1.00 1.00 TER END ################################ # # # END # # # ################################