From mailer@bialko.llnl.gov Sat Jun 15 15:38:49 2002 Date: Sat, 15 Jun 2002 15:38:43 -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 15:12:19 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_236339_10803 # (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 T0134 AUTHOR 2491-6940-1261 # Reading MODEL 1 E T 0.295 # ERROR! Check the line NB = 25 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0134 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 T0134.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 4 METHOD MODEL 1 G C 0.996 E C 0.887 P C 0.622 V C 0.482 Q C 0.371 N C 0.261 G C 0.419 A C 0.859 P C 0.467 E C 0.299 E C 0.328 E C 0.386 Q C 0.520 L C 0.497 P C 0.845 P C 0.517 E C 0.436 S C 0.534 S H 0.590 Y H 0.688 S H 0.739 L H 0.711 L H 0.583 A H 0.463 E T 0.295 N C 0.351 S T 0.344 Y E 0.273 V E 0.545 K E 0.890 M E 0.947 T E 0.921 C E 0.830 D E 0.508 I C 0.337 R T 0.330 G C 0.515 S C 0.700 L T 0.268 Q G 0.347 E G 0.341 D T 0.368 S S 0.372 Q C 0.447 V E 0.799 T E 0.917 V E 0.961 A E 0.979 I E 0.976 V E 0.980 L E 0.880 E E 0.587 N C 0.344 R S 0.310 S C 0.408 S T 0.251 S H 0.320 I H 0.317 L H 0.313 K H 0.360 G H 0.418 M H 0.368 E E 0.459 L H 0.430 S H 0.401 V H 0.634 L H 0.732 D H 0.735 S H 0.696 L H 0.760 N H 0.628 A H 0.613 R H 0.590 M H 0.494 A H 0.457 R C 0.479 P C 0.544 Q T 0.733 G T 0.599 S C 0.582 S C 0.354 V C 0.373 H C 0.336 D C 0.325 G C 0.440 V C 0.542 P C 0.543 V C 0.637 P C 0.620 F C 0.420 Q C 0.357 L C 0.466 P C 0.868 P T 0.642 G T 0.750 V C 0.548 S C 0.526 N S 0.336 E T 0.281 A C 0.493 Q E 0.496 Y E 0.752 V E 0.947 F E 0.948 T E 0.975 I E 0.945 Q E 0.896 S E 0.795 I E 0.686 V E 0.548 M H 0.514 A H 0.535 Q H 0.338 K H 0.324 L C 0.261 K E 0.275 G E 0.504 T E 0.791 L E 0.900 S E 0.936 F E 0.896 I E 0.896 A E 0.686 K E 0.463 N C 0.563 D C 0.469 E T 0.669 G T 0.525 A C 0.475 T C 0.472 H C 0.269 E H 0.300 K H 0.362 L H 0.273 D E 0.254 F E 0.445 R E 0.516 L E 0.460 H E 0.474 F E 0.479 S E 0.478 C E 0.566 S E 0.584 S E 0.839 Y E 0.889 L E 0.877 I E 0.636 T C 0.478 T S 0.444 P C 0.580 C C 0.666 Y C 0.538 S H 0.301 D H 0.575 A H 0.729 F H 0.815 A H 0.809 K H 0.804 L H 0.740 L H 0.621 E H 0.427 S T 0.265 G T 0.403 D C 0.525 L C 0.345 S C 0.395 M C 0.229 S E 0.255 S E 0.482 I E 0.778 K E 0.827 V E 0.798 D T 0.665 G T 0.611 I E 0.829 R E 0.952 M E 0.943 S E 0.862 F H 0.584 Q H 0.844 N H 0.911 L H 0.952 L H 0.944 A H 0.946 K H 0.930 I H 0.897 C H 0.804 F H 0.639 H H 0.473 H T 0.335 H C 0.364 F C 0.472 S E 0.554 V E 0.548 V E 0.628 E E 0.507 R E 0.426 V C 0.350 D S 0.250 S H 0.303 C H 0.335 A H 0.311 S E 0.323 M H 0.235 Y E 0.314 S E 0.321 R E 0.485 S E 0.417 I T 0.266 Q T 0.779 G T 0.656 H C 0.505 H E 0.625 V E 0.829 C E 0.921 L E 0.943 L E 0.942 V E 0.932 K E 0.883 K E 0.620 G C 0.282 E S 0.333 N S 0.493 S E 0.334 V E 0.750 S E 0.868 V E 0.787 D C 0.300 G S 0.441 K C 0.363 C C 0.384 S S 0.537 D C 0.446 S H 0.731 T H 0.780 L H 0.866 L H 0.949 S H 0.947 N H 0.950 L H 0.961 L H 0.971 E H 0.957 E H 0.929 M H 0.946 K H 0.946 A H 0.933 T H 0.920 L H 0.848 A H 0.596 K T 0.379 C C 0.997 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Sat Jun 15 15:39:08 2002 Date: Sat, 15 Jun 2002 15:39:02 -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 15:12:32 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_237640_10804 # (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 T0134 AUTHOR 5144-8387-2760 # Reading MODEL 1 G T 0.395 # ERROR! Check the line NB = 7 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0134 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 T0134.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 4 METHOD MODEL 1 G C 0.895 E C 0.740 P C 0.649 V C 0.490 Q C 0.498 N C 0.422 G T 0.395 A T 0.424 P T 0.445 E T 0.394 E C 0.389 E C 0.506 Q C 0.628 L C 0.745 P T 0.457 P T 0.562 E T 0.667 S T 0.736 S T 0.521 Y T 0.455 S T 0.399 L T 0.300 L T 0.294 A T 0.382 E T 0.404 N T 0.599 S T 0.436 Y E 0.791 V E 0.902 K E 0.917 M E 0.945 T E 0.921 C E 0.864 D E 0.594 I T 0.520 R T 0.643 G T 0.546 S T 0.466 L T 0.501 Q T 0.603 E T 0.586 D T 0.624 S T 0.471 Q C 0.428 V E 0.790 T E 0.948 V E 0.978 A E 0.981 I E 0.982 V E 0.968 L E 0.892 E E 0.573 N T 0.566 R T 0.708 S T 0.652 S T 0.567 S T 0.323 I E 0.310 L E 0.370 K E 0.424 G E 0.477 M E 0.455 E H 0.548 L H 0.686 S H 0.708 V H 0.788 L H 0.771 D H 0.701 S H 0.629 L H 0.577 N H 0.398 A H 0.362 R H 0.334 M H 0.329 A C 0.405 R T 0.464 P T 0.792 Q T 0.848 G T 0.834 S T 0.572 S T 0.366 V T 0.476 H T 0.539 D T 0.541 G T 0.440 V E 0.382 P E 0.524 V E 0.417 P C 0.427 F C 0.325 Q C 0.339 L C 0.534 P T 0.516 P T 0.532 G T 0.633 V T 0.620 S T 0.447 N T 0.512 E T 0.504 A T 0.387 Q E 0.643 Y E 0.895 V E 0.959 F E 0.965 T E 0.955 I E 0.867 Q E 0.732 S E 0.517 I H 0.490 V H 0.712 M H 0.792 A H 0.836 Q H 0.791 K H 0.654 L H 0.592 K H 0.367 G E 0.461 T E 0.673 L E 0.762 S E 0.848 F E 0.824 I E 0.825 A E 0.836 K E 0.588 N E 0.365 D T 0.485 E T 0.558 G T 0.568 A T 0.532 T T 0.494 H T 0.521 E T 0.380 K E 0.437 L E 0.562 D E 0.634 F E 0.753 R E 0.752 L E 0.571 H C 0.401 F E 0.374 S E 0.410 C E 0.419 S E 0.538 S E 0.706 Y E 0.862 L E 0.876 I E 0.726 T E 0.444 T C 0.506 P C 0.560 C C 0.513 Y C 0.500 S H 0.445 D H 0.880 A H 0.980 F H 0.987 A H 0.983 K H 0.977 L H 0.963 L H 0.948 E H 0.785 S H 0.423 G C 0.459 D T 0.504 L T 0.425 S T 0.416 M E 0.485 S T 0.406 S E 0.573 I E 0.821 K E 0.827 V E 0.711 D T 0.373 G E 0.564 I E 0.778 R E 0.864 M E 0.913 S E 0.868 F H 0.829 Q H 0.984 N H 0.974 L H 0.982 L H 0.986 A H 0.987 K H 0.982 I H 0.965 C H 0.935 F H 0.874 H H 0.754 H H 0.449 H C 0.634 F C 0.421 S E 0.624 V E 0.809 V E 0.832 E E 0.748 R E 0.414 V C 0.609 D C 0.504 S H 0.418 C H 0.491 A H 0.460 S H 0.441 M H 0.382 Y T 0.348 S T 0.372 R T 0.284 S T 0.331 I T 0.715 Q T 0.811 G T 0.810 H T 0.483 H E 0.710 V E 0.902 C E 0.938 L E 0.961 L E 0.974 V E 0.965 K E 0.915 K E 0.703 G T 0.596 E T 0.784 N T 0.709 S T 0.418 V E 0.732 S E 0.790 V E 0.672 D T 0.422 G T 0.569 K T 0.534 C T 0.483 S C 0.474 D T 0.420 S H 0.865 T H 0.887 L H 0.930 L H 0.962 S H 0.971 N H 0.968 L H 0.976 L H 0.991 E H 0.993 E H 0.993 M H 0.995 K H 0.990 A H 0.985 T H 0.964 L H 0.923 A H 0.802 K H 0.528 C C 0.970 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 16 19:01:29 2002 Date: Tue, 16 Jul 2002 19:01:23 -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 Tue Jul 16 18:34:34 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_460397_12190 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0134SS389_1 Current information on models submitted in prediction T0134SS389 MODEL_INDEX PIN CODE DATE E-mail T0134SS389_1 PIN_460397_12190 1549-8716-6404 07/16/02 18:34:34 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 T0134 MODEL_INDEX PIN CODE DATE E-mail T0134SS389_1 PIN_460397_12190 1549-8716-6404 07/16/02 18:34:34 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 T0134 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: 251 # Number of residues with nonzero confidence: 251 # Number of METHOD records: 46 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0134 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD preds/T0134.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD preds/T0134.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/T0134.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0134 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 T0134.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 4 METHOD METHOD ============================================ METHOD Comments from preds/T0134.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0134 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 T0134.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 4 METHOD METHOD ============================================ MODEL 1 G C 0.98 E C 0.88 P C 0.78 V C 0.70 Q C 0.70 N C 0.69 G C 0.73 A C 0.82 P C 0.67 E C 0.64 E C 0.69 E C 0.80 Q C 0.85 L C 0.88 P C 0.93 P C 0.85 E C 0.80 S C 0.78 S C 0.48 Y H 0.56 S H 0.58 L H 0.57 L H 0.47 A C 0.41 E C 0.53 N C 0.75 S C 0.70 Y E 0.51 V E 0.70 K E 0.89 M E 0.93 T E 0.91 C E 0.84 D E 0.56 I C 0.74 R C 0.86 G C 0.84 S C 0.85 L C 0.58 Q C 0.57 E C 0.59 D C 0.81 S C 0.79 Q C 0.60 V E 0.79 T E 0.92 V E 0.95 A E 0.96 I E 0.96 V E 0.96 L E 0.87 E E 0.58 N C 0.76 R C 0.84 S C 0.81 S C 0.57 S C 0.47 I H 0.44 L C 0.36 K H 0.37 G H 0.40 M E 0.40 E E 0.42 L H 0.54 S H 0.54 V H 0.72 L H 0.76 D H 0.74 S H 0.68 L H 0.69 N H 0.56 A H 0.56 R H 0.54 M H 0.47 A C 0.44 R C 0.75 P C 0.87 Q C 0.92 G C 0.92 S C 0.88 S C 0.69 V C 0.73 H C 0.76 D C 0.81 G C 0.82 V C 0.64 P C 0.56 V C 0.63 P C 0.67 F C 0.63 Q C 0.67 L C 0.83 P C 0.93 P C 0.91 G C 0.92 V C 0.86 S C 0.84 N C 0.82 E C 0.68 A C 0.60 Q E 0.56 Y E 0.81 V E 0.94 F E 0.94 T E 0.95 I E 0.90 Q E 0.81 S E 0.67 I E 0.50 V H 0.50 M H 0.66 A H 0.71 Q H 0.60 K H 0.53 L C 0.44 K C 0.53 G E 0.49 T E 0.74 L E 0.83 S E 0.88 F E 0.85 I E 0.86 A E 0.74 K E 0.52 N C 0.67 D C 0.77 E C 0.84 G C 0.87 A C 0.86 T C 0.78 H C 0.68 E C 0.50 K C 0.39 L C 0.40 D E 0.43 F E 0.59 R E 0.63 L E 0.52 H C 0.52 F C 0.51 S C 0.51 C E 0.51 S E 0.56 S E 0.77 Y E 0.87 L E 0.88 I E 0.68 T C 0.70 T C 0.81 P C 0.83 C C 0.80 Y C 0.77 S C 0.56 D H 0.73 A H 0.84 F H 0.89 A H 0.91 K H 0.89 L H 0.88 L H 0.79 E H 0.60 S C 0.64 G C 0.90 D C 0.87 L C 0.67 S C 0.67 M C 0.56 S C 0.61 S E 0.52 I E 0.79 K E 0.83 V E 0.76 D C 0.72 G C 0.64 I E 0.80 R E 0.90 M E 0.92 S E 0.86 F H 0.71 Q H 0.91 N H 0.93 L H 0.95 L H 0.94 A H 0.94 K H 0.93 I H 0.91 C H 0.85 F H 0.76 H H 0.61 H C 0.59 H C 0.81 F C 0.58 S E 0.59 V E 0.66 V E 0.72 E E 0.61 R C 0.47 V C 0.68 D C 0.72 S H 0.50 C H 0.56 A H 0.51 S H 0.41 M H 0.43 Y C 0.45 S C 0.49 R E 0.41 S C 0.46 I C 0.70 Q C 0.92 G C 0.92 H C 0.69 H E 0.68 V E 0.85 C E 0.91 L E 0.93 L E 0.94 V E 0.93 K E 0.89 K E 0.66 G C 0.72 E C 0.81 N C 0.84 S C 0.62 V E 0.75 S E 0.85 V E 0.76 D C 0.69 G C 0.85 K C 0.78 C C 0.78 S C 0.89 D C 0.83 S H 0.83 T H 0.87 L H 0.92 L H 0.94 S H 0.94 N H 0.94 L H 0.95 L H 0.96 E H 0.95 E H 0.93 M H 0.94 K H 0.95 A H 0.94 T H 0.93 L H 0.88 A H 0.69 K C 0.56 C C 0.98 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 09:03:49 2002 Date: Mon, 22 Jul 2002 09:03:44 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0134 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 Mon Jul 22 08:35:27 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_480920_13046 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0134TS189_2 Current information on models submitted in prediction T0134TS189 MODEL_INDEX PIN CODE DATE E-mail T0134TS189_2 PIN_480920_13046 5035-2079-5263 07/22/02 08:35:27 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 T0134 MODEL_INDEX PIN CODE DATE E-mail T0134TS189_2 PIN_480920_13046 5035-2079-5263 07/22/02 08:35:27 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 T0134 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1E42_A # Loading PARENT structure: 1e42 (chain: A) # Number of residues in PARENT structure: 233 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue N 887 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 888 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 889 # IMPORTANT NOTE! Not complete main chain atoms for residue V 890 # IMPORTANT NOTE! Not complete main chain atoms for residue K 891 # IMPORTANT NOTE! Not complete main chain atoms for residue M 892 # IMPORTANT NOTE! Not complete main chain atoms for residue T 893 # IMPORTANT NOTE! Not complete main chain atoms for residue C 894 # IMPORTANT NOTE! Not complete main chain atoms for residue D 895 # IMPORTANT NOTE! Not complete main chain atoms for residue I 896 # IMPORTANT NOTE! Not complete main chain atoms for residue R 897 # IMPORTANT NOTE! Not complete main chain atoms for residue G 898 # IMPORTANT NOTE! Not complete main chain atoms for residue S 899 # IMPORTANT NOTE! Not complete main chain atoms for residue L 900 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 901 # IMPORTANT NOTE! Not complete main chain atoms for residue E 902 # IMPORTANT NOTE! Not complete main chain atoms for residue D 903 # IMPORTANT NOTE! Not complete main chain atoms for residue S 904 # IMPORTANT NOTE! Not complete main chain atoms for residue V 906 # IMPORTANT NOTE! Not complete main chain atoms for residue T 907 # IMPORTANT NOTE! Not complete main chain atoms for residue V 908 # IMPORTANT NOTE! Not complete main chain atoms for residue A 909 # IMPORTANT NOTE! Not complete main chain atoms for residue I 910 # IMPORTANT NOTE! Not complete main chain atoms for residue V 911 # IMPORTANT NOTE! Not complete main chain atoms for residue L 912 # IMPORTANT NOTE! Not complete main chain atoms for residue E 913 # IMPORTANT NOTE! Not complete main chain atoms for residue N 914 # IMPORTANT NOTE! Not complete main chain atoms for residue R 915 # IMPORTANT NOTE! Not complete main chain atoms for residue S 916 # IMPORTANT NOTE! Not complete main chain atoms for residue S 917 # IMPORTANT NOTE! Not complete main chain atoms for residue S 918 # IMPORTANT NOTE! Not complete main chain atoms for residue I 919 # IMPORTANT NOTE! Not complete main chain atoms for residue L 920 # IMPORTANT NOTE! Not complete main chain atoms for residue M 923 # IMPORTANT NOTE! Not complete main chain atoms for residue E 924 # IMPORTANT NOTE! Not complete main chain atoms for residue L 925 # IMPORTANT NOTE! Not complete main chain atoms for residue S 926 # IMPORTANT NOTE! Not complete main chain atoms for residue V 927 # IMPORTANT NOTE! Not complete main chain atoms for residue L 928 # IMPORTANT NOTE! Not complete main chain atoms for residue D 929 # IMPORTANT NOTE! Not complete main chain atoms for residue S 930 # IMPORTANT NOTE! Not complete main chain atoms for residue L 931 # IMPORTANT NOTE! Not complete main chain atoms for residue N 932 # IMPORTANT NOTE! Not complete main chain atoms for residue A 933 # IMPORTANT NOTE! Not complete main chain atoms for residue R 934 # IMPORTANT NOTE! Not complete main chain atoms for residue M 935 # IMPORTANT NOTE! Not complete main chain atoms for residue A 936 # IMPORTANT NOTE! Not complete main chain atoms for residue R 937 # IMPORTANT NOTE! Not complete main chain atoms for residue P 938 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 939 # IMPORTANT NOTE! Not complete main chain atoms for residue G 940 # IMPORTANT NOTE! Not complete main chain atoms for residue S 941 # IMPORTANT NOTE! Not complete main chain atoms for residue S 942 # IMPORTANT NOTE! Not complete main chain atoms for residue V 943 # IMPORTANT NOTE! Not complete main chain atoms for residue H 944 # IMPORTANT NOTE! Not complete main chain atoms for residue D 945 # IMPORTANT NOTE! Not complete main chain atoms for residue G 946 # IMPORTANT NOTE! Not complete main chain atoms for residue V 947 # IMPORTANT NOTE! Not complete main chain atoms for residue P 948 # IMPORTANT NOTE! Not complete main chain atoms for residue V 949 # IMPORTANT NOTE! Not complete main chain atoms for residue P 950 # IMPORTANT NOTE! Not complete main chain atoms for residue F 951 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 952 # IMPORTANT NOTE! Not complete main chain atoms for residue L 953 # IMPORTANT NOTE! Not complete main chain atoms for residue P 954 # IMPORTANT NOTE! Not complete main chain atoms for residue P 955 # IMPORTANT NOTE! Not complete main chain atoms for residue G 956 # IMPORTANT NOTE! Not complete main chain atoms for residue V 957 # IMPORTANT NOTE! Not complete main chain atoms for residue S 958 # IMPORTANT NOTE! Not complete main chain atoms for residue N 959 # IMPORTANT NOTE! Not complete main chain atoms for residue E 960 # IMPORTANT NOTE! Not complete main chain atoms for residue A 961 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 962 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 963 # IMPORTANT NOTE! Not complete main chain atoms for residue V 964 # IMPORTANT NOTE! Not complete main chain atoms for residue F 965 # IMPORTANT NOTE! Not complete main chain atoms for residue T 966 # IMPORTANT NOTE! Not complete main chain atoms for residue I 967 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 968 # IMPORTANT NOTE! Not complete main chain atoms for residue S 969 # IMPORTANT NOTE! Not complete main chain atoms for residue I 970 # IMPORTANT NOTE! Not complete main chain atoms for residue V 971 # IMPORTANT NOTE! Not complete main chain atoms for residue M 972 # IMPORTANT NOTE! Not complete main chain atoms for residue A 973 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 974 # IMPORTANT NOTE! Not complete main chain atoms for residue K 975 # IMPORTANT NOTE! Not complete main chain atoms for residue L 976 # IMPORTANT NOTE! Not complete main chain atoms for residue K 977 # IMPORTANT NOTE! Not complete main chain atoms for residue G 978 # IMPORTANT NOTE! Not complete main chain atoms for residue T 979 # IMPORTANT NOTE! Not complete main chain atoms for residue L 980 # IMPORTANT NOTE! Not complete main chain atoms for residue S 981 # IMPORTANT NOTE! Not complete main chain atoms for residue F 982 # IMPORTANT NOTE! Not complete main chain atoms for residue I 983 # IMPORTANT NOTE! Not complete main chain atoms for residue A 984 # IMPORTANT NOTE! Not complete main chain atoms for residue K 985 # IMPORTANT NOTE! Not complete main chain atoms for residue N 986 # IMPORTANT NOTE! Not complete main chain atoms for residue D 987 # IMPORTANT NOTE! Not complete main chain atoms for residue H 992 # IMPORTANT NOTE! Not complete main chain atoms for residue E 993 # IMPORTANT NOTE! Not complete main chain atoms for residue K 994 # IMPORTANT NOTE! Not complete main chain atoms for residue L 995 # IMPORTANT NOTE! Not complete main chain atoms for residue D 996 # IMPORTANT NOTE! Not complete main chain atoms for residue F 997 # IMPORTANT NOTE! Not complete main chain atoms for residue R 998 # IMPORTANT NOTE! Not complete main chain atoms for residue L 999 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1000 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1001 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1002 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1003 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1004 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1005 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 1006 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1007 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1008 # IMPORTANT NOTE! Not complete main chain atoms for residue T 1009 # IMPORTANT NOTE! Not complete main chain atoms for residue T 1010 # IMPORTANT NOTE! Not complete main chain atoms for residue P 1011 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1012 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 1013 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1014 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1015 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1016 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1017 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1018 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1019 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1020 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1021 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1022 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1023 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1024 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1025 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1026 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1027 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1028 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1029 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1030 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1031 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1032 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1033 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1034 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1035 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1036 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1037 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1038 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1039 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1040 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 1041 # IMPORTANT NOTE! Not complete main chain atoms for residue N 1042 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1043 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1044 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1045 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1046 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1047 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1048 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1049 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1050 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1051 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1052 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1053 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1054 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1055 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1056 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1057 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1058 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1059 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1060 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1061 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1062 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1063 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1064 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1065 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 1066 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1067 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1068 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1069 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1070 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 1071 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1072 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1073 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1074 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1075 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1076 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1077 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1078 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1079 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1080 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1081 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1082 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1083 # IMPORTANT NOTE! Not complete main chain atoms for residue N 1084 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1085 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1086 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1087 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1088 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1089 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1090 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1091 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1092 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1093 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1094 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1095 # IMPORTANT NOTE! Not complete main chain atoms for residue T 1096 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1097 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1098 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1099 # IMPORTANT NOTE! Not complete main chain atoms for residue N 1100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1104 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1105 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 1108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1109 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1111 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0134 # Total number of residues in target: 251 # Total number of residues in model: 218 # Total number of atoms in model: 218 # Number of atoms with 1.0 occupancy: 218 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 218 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0134 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1E42_A ATOM 705 CA ASN 887 -7.066 13.517 33.966 1.00 1.00 ATOM 706 CA SER 888 -3.361 13.333 33.158 1.00 1.00 ATOM 707 CA TYR 889 -0.419 15.401 34.180 1.00 1.00 ATOM 708 CA VAL 890 -0.497 19.066 33.138 1.00 1.00 ATOM 709 CA LYS 891 2.547 21.210 33.707 1.00 1.00 ATOM 710 CA MET 892 2.042 24.598 35.328 1.00 1.00 ATOM 711 CA THR 893 1.913 27.500 32.850 1.00 1.00 ATOM 712 CA CYS 894 5.286 28.988 32.050 1.00 1.00 ATOM 713 CA ASP 895 6.189 32.320 30.467 1.00 1.00 ATOM 714 CA ILE 896 6.566 31.688 26.758 1.00 1.00 ATOM 715 CA ARG 897 6.739 35.253 25.550 1.00 1.00 ATOM 716 CA GLY 898 7.638 38.053 27.999 1.00 1.00 ATOM 717 CA SER 899 5.960 41.478 27.468 1.00 1.00 ATOM 718 CA LEU 900 9.324 43.261 27.088 1.00 1.00 ATOM 719 CA GLN 901 10.347 41.160 24.140 1.00 1.00 ATOM 720 CA GLU 902 6.902 41.536 22.476 1.00 1.00 ATOM 721 CA ASP 903 6.031 45.219 22.724 1.00 1.00 ATOM 722 CA SER 904 3.955 44.487 25.823 1.00 1.00 ATOM 723 CA VAL 906 2.357 41.205 24.934 1.00 1.00 ATOM 724 CA THR 907 2.934 38.550 27.544 1.00 1.00 ATOM 725 CA VAL 908 2.013 34.915 26.900 1.00 1.00 ATOM 726 CA ALA 909 2.162 32.110 29.455 1.00 1.00 ATOM 727 CA ILE 910 1.195 28.562 28.522 1.00 1.00 ATOM 728 CA VAL 911 0.922 24.853 29.007 1.00 1.00 ATOM 729 CA LEU 912 -0.493 21.878 27.155 1.00 1.00 ATOM 730 CA GLU 913 -3.268 19.577 28.165 1.00 1.00 ATOM 731 CA ASN 914 -5.068 16.562 26.812 1.00 1.00 ATOM 732 CA ARG 915 -8.831 16.430 27.549 1.00 1.00 ATOM 733 CA SER 916 -10.825 13.376 26.506 1.00 1.00 ATOM 734 CA SER 917 -8.929 12.678 23.295 1.00 1.00 ATOM 735 CA SER 918 -8.414 16.407 22.642 1.00 1.00 ATOM 736 CA ILE 919 -5.181 18.388 22.826 1.00 1.00 ATOM 737 CA LEU 920 -5.107 22.030 23.890 1.00 1.00 ATOM 738 CA MET 923 -2.577 24.708 24.106 1.00 1.00 ATOM 739 CA GLU 924 -3.769 26.599 27.134 1.00 1.00 ATOM 740 CA LEU 925 -2.527 30.114 27.366 1.00 1.00 ATOM 741 CA SER 926 -2.837 33.404 29.216 1.00 1.00 ATOM 742 CA VAL 927 -2.311 36.566 27.188 1.00 1.00 ATOM 743 CA LEU 928 -1.758 39.794 29.105 1.00 1.00 ATOM 744 CA ASP 929 -1.551 43.272 27.612 1.00 1.00 ATOM 745 CA SER 930 1.213 45.140 29.447 1.00 1.00 ATOM 746 CA LEU 931 1.362 47.815 26.739 1.00 1.00 ATOM 747 CA ASN 932 -0.500 51.145 26.469 1.00 1.00 ATOM 748 CA ALA 933 -2.383 50.389 23.205 1.00 1.00 ATOM 749 CA ARG 934 -5.382 48.084 22.745 1.00 1.00 ATOM 750 CA MET 935 -4.419 44.816 21.140 1.00 1.00 ATOM 751 CA ALA 936 -6.508 43.259 18.443 1.00 1.00 ATOM 760 CA ARG 937 7.124 19.954 13.800 1.00 1.00 ATOM 761 CA PRO 938 7.848 16.319 14.682 1.00 1.00 ATOM 762 CA GLN 939 4.360 15.195 15.579 1.00 1.00 ATOM 763 CA GLY 940 2.561 17.340 13.041 1.00 1.00 ATOM 764 CA SER 941 0.952 19.592 15.638 1.00 1.00 ATOM 765 CA SER 942 -1.174 22.491 14.402 1.00 1.00 ATOM 766 CA VAL 943 -3.999 24.635 15.782 1.00 1.00 ATOM 767 CA HIS 944 -7.288 23.173 14.677 1.00 1.00 ATOM 768 CA ASP 945 -9.110 26.525 14.717 1.00 1.00 ATOM 769 CA GLY 946 -8.414 30.275 14.744 1.00 1.00 ATOM 770 CA VAL 947 -7.356 31.724 18.008 1.00 1.00 ATOM 771 CA PRO 948 -10.497 32.626 19.936 1.00 1.00 ATOM 772 CA VAL 949 -9.811 36.182 21.033 1.00 1.00 ATOM 773 CA PRO 950 -12.695 38.295 19.804 1.00 1.00 ATOM 774 CA PHE 951 -12.506 41.532 21.757 1.00 1.00 ATOM 775 CA GLN 952 -9.714 44.031 22.073 1.00 1.00 ATOM 776 CA LEU 953 -7.444 43.109 24.910 1.00 1.00 ATOM 777 CA PRO 954 -7.203 46.399 26.744 1.00 1.00 ATOM 778 CA PRO 955 -4.163 47.691 28.579 1.00 1.00 ATOM 779 CA GLY 956 -3.678 45.732 31.863 1.00 1.00 ATOM 780 CA VAL 957 -6.133 43.017 30.794 1.00 1.00 ATOM 781 CA SER 958 -5.326 39.343 30.956 1.00 1.00 ATOM 782 CA ASN 959 -7.336 36.598 29.232 1.00 1.00 ATOM 783 CA GLU 960 -7.250 32.818 29.288 1.00 1.00 ATOM 784 CA ALA 961 -7.262 31.228 25.871 1.00 1.00 ATOM 785 CA GLN 962 -7.734 27.503 25.108 1.00 1.00 ATOM 786 CA TYR 963 -6.417 26.705 21.649 1.00 1.00 ATOM 787 CA VAL 964 -7.423 23.278 20.336 1.00 1.00 ATOM 788 CA PHE 965 -4.648 21.404 18.504 1.00 1.00 ATOM 789 CA THR 966 -4.425 18.347 16.414 1.00 1.00 ATOM 790 CA ILE 967 -1.738 16.202 14.834 1.00 1.00 ATOM 791 CA GLN 968 -2.859 16.382 11.229 1.00 1.00 ATOM 792 CA SER 969 -0.385 18.966 10.155 1.00 1.00 ATOM 793 CA ILE 970 2.855 18.910 8.330 1.00 1.00 ATOM 794 CA VAL 971 5.661 16.892 9.810 1.00 1.00 ATOM 795 CA MET 972 9.281 18.018 9.998 1.00 1.00 ATOM 796 CA ALA 973 11.621 16.450 12.537 1.00 1.00 ATOM 797 CA GLN 974 12.814 19.027 14.985 1.00 1.00 ATOM 798 CA LYS 975 15.680 19.051 17.512 1.00 1.00 ATOM 799 CA LEU 976 14.816 18.634 20.228 1.00 1.00 ATOM 800 CA LYS 977 12.193 16.264 19.018 1.00 1.00 ATOM 801 CA GLY 978 9.360 17.936 21.025 1.00 1.00 ATOM 802 CA THR 979 10.201 21.586 20.254 1.00 1.00 ATOM 803 CA LEU 980 7.492 23.751 18.806 1.00 1.00 ATOM 804 CA SER 981 8.144 27.128 17.149 1.00 1.00 ATOM 805 CA PHE 982 5.278 29.572 17.392 1.00 1.00 ATOM 806 CA ILE 983 4.407 32.928 15.837 1.00 1.00 ATOM 807 CA ALA 984 1.792 35.113 17.422 1.00 1.00 ATOM 808 CA LYS 985 0.556 38.278 15.725 1.00 1.00 ATOM 809 CA ASN 986 -1.511 41.163 16.873 1.00 1.00 ATOM 810 CA ASP 987 -2.113 44.604 15.411 1.00 1.00 ATOM 811 CA HIS 992 1.259 45.856 16.606 1.00 1.00 ATOM 812 CA GLU 993 3.590 43.147 15.257 1.00 1.00 ATOM 813 CA LYS 994 4.378 39.459 14.861 1.00 1.00 ATOM 814 CA LEU 995 6.344 37.793 17.648 1.00 1.00 ATOM 815 CA ASP 996 8.192 34.466 17.839 1.00 1.00 ATOM 816 CA PHE 997 8.851 31.992 20.539 1.00 1.00 ATOM 817 CA ARG 998 9.368 28.298 21.094 1.00 1.00 ATOM 818 CA LEU 999 8.168 25.883 23.692 1.00 1.00 ATOM 819 CA HIS 1000 8.492 22.250 24.442 1.00 1.00 ATOM 820 CA PHE 1001 5.576 19.882 24.097 1.00 1.00 ATOM 821 CA SER 1002 5.259 17.315 26.903 1.00 1.00 ATOM 822 CA CYS 1003 4.738 14.010 25.040 1.00 1.00 ATOM 823 CA SER 1004 2.016 12.735 27.322 1.00 1.00 ATOM 824 CA SER 1005 -0.500 14.991 25.573 1.00 1.00 ATOM 825 CA TYR 1006 0.274 12.868 22.534 1.00 1.00 ATOM 826 CA LEU 1007 -0.469 9.590 24.302 1.00 1.00 ATOM 827 CA ILE 1008 -3.625 8.242 22.736 1.00 1.00 ATOM 828 CA THR 1009 -6.592 6.523 24.438 1.00 1.00 ATOM 829 CA THR 1010 -6.231 3.295 22.389 1.00 1.00 ATOM 831 CA PRO 1011 -3.270 -0.789 25.599 1.00 1.00 ATOM 832 CA CYS 1012 -1.540 -3.682 23.898 1.00 1.00 ATOM 833 CA TYR 1013 -2.881 -7.261 24.343 1.00 1.00 ATOM 834 CA SER 1014 -0.392 -9.355 26.386 1.00 1.00 ATOM 835 CA ASP 1015 0.203 -11.670 23.462 1.00 1.00 ATOM 836 CA ALA 1016 0.903 -8.775 21.081 1.00 1.00 ATOM 837 CA PHE 1017 3.138 -7.085 23.711 1.00 1.00 ATOM 838 CA ALA 1018 5.420 -10.035 24.009 1.00 1.00 ATOM 839 CA LYS 1019 5.560 -10.496 20.295 1.00 1.00 ATOM 840 CA LEU 1020 6.244 -6.817 19.647 1.00 1.00 ATOM 841 CA LEU 1021 8.859 -6.536 22.361 1.00 1.00 ATOM 842 CA GLU 1022 10.627 -9.514 20.733 1.00 1.00 ATOM 843 CA SER 1023 10.206 -8.147 17.241 1.00 1.00 ATOM 844 CA GLY 1024 11.881 -4.819 18.083 1.00 1.00 ATOM 845 CA ASP 1025 15.642 -4.941 17.780 1.00 1.00 ATOM 846 CA LEU 1026 17.347 -5.418 21.093 1.00 1.00 ATOM 847 CA SER 1027 19.633 -2.453 20.350 1.00 1.00 ATOM 848 CA MET 1028 16.537 -0.232 20.445 1.00 1.00 ATOM 849 CA SER 1029 16.028 -0.940 24.142 1.00 1.00 ATOM 851 CA SER 1030 17.229 2.284 30.090 1.00 1.00 ATOM 852 CA ILE 1031 16.465 5.259 32.254 1.00 1.00 ATOM 853 CA LYS 1032 16.274 5.915 35.991 1.00 1.00 ATOM 854 CA VAL 1033 13.290 7.320 37.765 1.00 1.00 ATOM 855 CA ASP 1034 15.214 8.760 40.662 1.00 1.00 ATOM 856 CA GLY 1035 13.894 8.836 44.168 1.00 1.00 ATOM 857 CA ILE 1036 10.473 7.194 43.653 1.00 1.00 ATOM 858 CA ARG 1037 8.574 5.535 46.522 1.00 1.00 ATOM 859 CA MET 1038 5.179 4.904 44.991 1.00 1.00 ATOM 860 CA SER 1039 3.872 1.342 45.029 1.00 1.00 ATOM 861 CA PHE 1040 3.410 -0.493 41.781 1.00 1.00 ATOM 862 CA GLN 1041 -0.261 -0.054 42.204 1.00 1.00 ATOM 863 CA ASN 1042 0.018 3.724 42.446 1.00 1.00 ATOM 864 CA LEU 1043 2.483 3.841 39.621 1.00 1.00 ATOM 865 CA LEU 1044 0.034 1.942 37.521 1.00 1.00 ATOM 866 CA ALA 1045 -2.929 4.104 38.371 1.00 1.00 ATOM 867 CA LYS 1046 -1.156 7.411 37.739 1.00 1.00 ATOM 868 CA ILE 1047 0.253 6.191 34.434 1.00 1.00 ATOM 869 CA CYS 1048 -3.134 4.908 33.408 1.00 1.00 ATOM 870 CA PHE 1049 -4.466 8.384 33.947 1.00 1.00 ATOM 871 CA HIS 1050 -1.995 9.476 31.252 1.00 1.00 ATOM 872 CA HIS 1051 -2.869 6.656 28.872 1.00 1.00 ATOM 873 CA HIS 1052 0.134 4.552 29.778 1.00 1.00 ATOM 874 CA PHE 1053 -1.376 1.062 30.358 1.00 1.00 ATOM 875 CA SER 1054 -0.027 -1.665 32.568 1.00 1.00 ATOM 876 CA VAL 1055 -0.340 -4.961 30.549 1.00 1.00 ATOM 877 CA VAL 1056 1.094 -7.287 33.134 1.00 1.00 ATOM 878 CA GLU 1057 2.812 -7.244 36.479 1.00 1.00 ATOM 879 CA ARG 1058 5.448 -9.801 37.520 1.00 1.00 ATOM 880 CA VAL 1059 6.501 -10.302 41.108 1.00 1.00 ATOM 881 CA ASP 1060 10.001 -11.697 41.008 1.00 1.00 ATOM 882 CA SER 1061 11.577 -12.224 44.412 1.00 1.00 ATOM 883 CA CYS 1062 10.155 -9.052 45.920 1.00 1.00 ATOM 884 CA ALA 1063 10.692 -6.975 42.783 1.00 1.00 ATOM 885 CA SER 1064 7.684 -5.683 40.889 1.00 1.00 ATOM 886 CA MET 1065 8.105 -5.614 37.107 1.00 1.00 ATOM 887 CA TYR 1066 5.470 -3.661 35.362 1.00 1.00 ATOM 888 CA SER 1067 5.009 -4.122 31.591 1.00 1.00 ATOM 889 CA ARG 1068 3.372 -1.157 29.991 1.00 1.00 ATOM 890 CA SER 1069 2.340 0.164 26.653 1.00 1.00 ATOM 891 CA ILE 1070 1.451 3.525 25.214 1.00 1.00 ATOM 895 CA GLN 1071 1.523 9.294 15.058 1.00 1.00 ATOM 896 CA GLY 1072 1.000 5.557 15.664 1.00 1.00 ATOM 897 CA HIS 1073 4.390 4.776 17.211 1.00 1.00 ATOM 898 CA HIS 1074 4.178 2.276 20.065 1.00 1.00 ATOM 899 CA VAL 1075 6.360 2.516 23.096 1.00 1.00 ATOM 900 CA CYS 1076 6.683 -0.590 25.323 1.00 1.00 ATOM 903 CA LEU 1077 9.477 -0.621 35.008 1.00 1.00 ATOM 904 CA LEU 1078 11.519 -2.439 37.669 1.00 1.00 ATOM 905 CA VAL 1079 10.745 -1.630 41.280 1.00 1.00 ATOM 906 CA LYS 1080 13.224 -3.115 43.792 1.00 1.00 ATOM 907 CA LYS 1081 13.103 -3.229 47.594 1.00 1.00 ATOM 908 CA GLY 1082 15.564 -0.841 49.202 1.00 1.00 ATOM 909 CA GLU 1083 16.323 0.902 45.871 1.00 1.00 ATOM 910 CA ASN 1084 14.797 4.405 45.776 1.00 1.00 ATOM 911 CA SER 1085 15.313 4.403 42.012 1.00 1.00 ATOM 912 CA VAL 1086 13.246 2.575 39.445 1.00 1.00 ATOM 913 CA SER 1087 14.652 1.298 36.225 1.00 1.00 ATOM 914 CA VAL 1088 12.564 2.189 33.218 1.00 1.00 ATOM 915 CA ASP 1089 13.397 0.220 30.155 1.00 1.00 ATOM 916 CA GLY 1090 11.830 1.410 26.914 1.00 1.00 ATOM 917 CA LYS 1091 11.586 -0.304 23.564 1.00 1.00 ATOM 918 CA CYS 1092 10.408 1.619 20.513 1.00 1.00 ATOM 919 CA SER 1093 10.939 1.189 16.690 1.00 1.00 ATOM 920 CA ASP 1094 11.894 4.870 16.863 1.00 1.00 ATOM 921 CA SER 1095 14.245 4.983 19.804 1.00 1.00 ATOM 922 CA THR 1096 14.974 8.654 19.495 1.00 1.00 ATOM 923 CA LEU 1097 11.539 9.172 21.124 1.00 1.00 ATOM 924 CA LEU 1098 12.424 7.216 24.287 1.00 1.00 ATOM 925 CA SER 1099 14.304 9.981 26.118 1.00 1.00 ATOM 926 CA ASN 1100 11.169 12.093 25.842 1.00 1.00 ATOM 927 CA LEU 1101 8.782 9.415 27.190 1.00 1.00 ATOM 928 CA LEU 1102 11.106 8.992 30.097 1.00 1.00 ATOM 929 CA GLU 1103 10.974 12.694 30.798 1.00 1.00 ATOM 930 CA GLU 1104 7.254 12.919 31.065 1.00 1.00 ATOM 931 CA MET 1105 7.033 9.442 32.717 1.00 1.00 ATOM 932 CA LYS 1106 9.288 10.935 35.395 1.00 1.00 ATOM 933 CA ALA 1107 7.125 14.069 35.631 1.00 1.00 ATOM 934 CA THR 1108 3.917 12.084 35.993 1.00 1.00 ATOM 935 CA LEU 1109 5.391 10.030 38.853 1.00 1.00 ATOM 936 CA ALA 1110 6.804 13.098 40.598 1.00 1.00 ATOM 937 CA LYS 1111 3.650 15.144 40.407 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 09:04:00 2002 Date: Mon, 22 Jul 2002 09:03:54 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0134 TS samt02.pdb 4 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Jul 22 08:35:40 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_471300_13047 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0134TS189_4 Current information on models submitted in prediction T0134TS189 MODEL_INDEX PIN CODE DATE E-mail T0134TS189_4 PIN_471300_13047 5035-2079-5263 07/22/02 08:35:40 casp5@bialko.llnl.gov T0134TS189_2 PIN_480920_13046 5035-2079-5263 07/22/02 08:35:27 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 T0134 MODEL_INDEX PIN CODE DATE E-mail T0134TS189_2 PIN_480920_13046 5035-2079-5263 07/22/02 08:35:27 casp5@bialko.llnl.gov T0134TS189_4 PIN_471300_13047 5035-2079-5263 07/22/02 08:35:40 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 T0134 AUTHOR 5035-2079-5263 # Reading MODEL 4 PARENT 1FZY_A # Loading PARENT structure: 1fzy (chain: A) # Number of residues in PARENT structure: 149 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 4 # IMPORTANT NOTE! Not complete main chain atoms for residue K 891 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 M 892 # IMPORTANT NOTE! Not complete main chain atoms for residue T 893 # IMPORTANT NOTE! Not complete main chain atoms for residue C 894 # IMPORTANT NOTE! Not complete main chain atoms for residue D 895 # IMPORTANT NOTE! Not complete main chain atoms for residue I 896 # IMPORTANT NOTE! Not complete main chain atoms for residue R 897 # IMPORTANT NOTE! Not complete main chain atoms for residue G 898 # IMPORTANT NOTE! Not complete main chain atoms for residue S 899 # IMPORTANT NOTE! Not complete main chain atoms for residue L 900 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 901 # IMPORTANT NOTE! Not complete main chain atoms for residue E 902 # IMPORTANT NOTE! Not complete main chain atoms for residue D 903 # IMPORTANT NOTE! Not complete main chain atoms for residue S 904 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 905 # IMPORTANT NOTE! Not complete main chain atoms for residue V 906 # IMPORTANT NOTE! Not complete main chain atoms for residue T 907 # IMPORTANT NOTE! Not complete main chain atoms for residue V 908 # IMPORTANT NOTE! Not complete main chain atoms for residue A 909 # IMPORTANT NOTE! Not complete main chain atoms for residue I 910 # IMPORTANT NOTE! Not complete main chain atoms for residue V 911 # IMPORTANT NOTE! Not complete main chain atoms for residue L 912 # IMPORTANT NOTE! Not complete main chain atoms for residue E 913 # IMPORTANT NOTE! Not complete main chain atoms for residue N 914 # IMPORTANT NOTE! Not complete main chain atoms for residue R 915 # IMPORTANT NOTE! Not complete main chain atoms for residue S 916 # IMPORTANT NOTE! Not complete main chain atoms for residue S 917 # IMPORTANT NOTE! Not complete main chain atoms for residue S 918 # IMPORTANT NOTE! Not complete main chain atoms for residue I 919 # IMPORTANT NOTE! Not complete main chain atoms for residue L 920 # IMPORTANT NOTE! Not complete main chain atoms for residue K 921 # IMPORTANT NOTE! Not complete main chain atoms for residue G 922 # IMPORTANT NOTE! Not complete main chain atoms for residue M 923 # IMPORTANT NOTE! Not complete main chain atoms for residue E 924 # IMPORTANT NOTE! Not complete main chain atoms for residue L 925 # IMPORTANT NOTE! Not complete main chain atoms for residue S 926 # IMPORTANT NOTE! Not complete main chain atoms for residue A 933 # IMPORTANT NOTE! Not complete main chain atoms for residue R 934 # IMPORTANT NOTE! Not complete main chain atoms for residue M 935 # IMPORTANT NOTE! Not complete main chain atoms for residue A 936 # IMPORTANT NOTE! Not complete main chain atoms for residue R 937 # IMPORTANT NOTE! Not complete main chain atoms for residue P 938 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 939 # IMPORTANT NOTE! Not complete main chain atoms for residue G 940 # IMPORTANT NOTE! Not complete main chain atoms for residue S 941 # IMPORTANT NOTE! Not complete main chain atoms for residue S 942 # IMPORTANT NOTE! Not complete main chain atoms for residue V 943 # IMPORTANT NOTE! Not complete main chain atoms for residue H 944 # IMPORTANT NOTE! Not complete main chain atoms for residue D 945 # IMPORTANT NOTE! Not complete main chain atoms for residue G 946 # IMPORTANT NOTE! Not complete main chain atoms for residue V 947 # IMPORTANT NOTE! Not complete main chain atoms for residue P 948 # IMPORTANT NOTE! Not complete main chain atoms for residue V 949 # IMPORTANT NOTE! Not complete main chain atoms for residue P 950 # IMPORTANT NOTE! Not complete main chain atoms for residue F 951 # Checking the TS prediction MODEL 4 (DONE) # MODEL index: 4 # Target name: T0134 # Total number of residues in target: 251 # Total number of residues in model: 55 # Total number of atoms in model: 55 # Number of atoms with 1.0 occupancy: 55 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 55 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0134 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 4 PARENT 1FZY_A ATOM 37 CA LYS 891 8.639 6.806 5.336 1.00 1.00 ATOM 38 CA MET 892 4.960 7.703 5.383 1.00 1.00 ATOM 39 CA THR 893 1.830 6.259 3.799 1.00 1.00 ATOM 40 CA CYS 894 -1.863 7.162 3.986 1.00 1.00 ATOM 41 CA ASP 895 -4.429 4.968 5.720 1.00 1.00 ATOM 42 CA ILE 896 -6.294 2.619 3.342 1.00 1.00 ATOM 43 CA ARG 897 -9.691 4.050 2.378 1.00 1.00 ATOM 44 CA GLY 898 -12.782 2.115 3.525 1.00 1.00 ATOM 45 CA SER 899 -10.845 1.174 6.610 1.00 1.00 ATOM 46 CA LEU 900 -10.811 2.445 10.216 1.00 1.00 ATOM 47 CA GLN 901 -7.487 4.061 9.272 1.00 1.00 ATOM 48 CA GLU 902 -8.848 6.143 6.382 1.00 1.00 ATOM 49 CA ASP 903 -7.744 9.756 6.595 1.00 1.00 ATOM 50 CA SER 904 -4.648 8.935 8.602 1.00 1.00 ATOM 51 CA GLN 905 -1.050 9.646 7.700 1.00 1.00 ATOM 52 CA VAL 906 1.329 7.126 9.152 1.00 1.00 ATOM 53 CA THR 907 5.003 7.844 9.780 1.00 1.00 ATOM 54 CA VAL 908 7.577 5.046 9.980 1.00 1.00 ATOM 55 CA ALA 909 11.155 5.424 11.208 1.00 1.00 ATOM 56 CA ILE 910 13.603 3.573 8.916 1.00 1.00 ATOM 57 CA VAL 911 17.213 2.543 9.514 1.00 1.00 ATOM 58 CA LEU 912 18.897 0.702 6.643 1.00 1.00 ATOM 59 CA GLU 913 21.785 -1.624 7.625 1.00 1.00 ATOM 60 CA ASN 914 25.188 -1.687 5.983 1.00 1.00 ATOM 61 CA ARG 915 24.205 -4.896 4.156 1.00 1.00 ATOM 62 CA SER 916 21.001 -3.449 2.653 1.00 1.00 ATOM 63 CA SER 917 19.407 -4.637 0.373 1.00 1.00 ATOM 64 CA SER 918 20.554 -8.125 1.421 1.00 1.00 ATOM 65 CA ILE 919 19.469 -7.434 4.978 1.00 1.00 ATOM 66 CA LEU 920 16.083 -5.907 5.886 1.00 1.00 ATOM 67 CA LYS 921 15.742 -2.281 6.984 1.00 1.00 ATOM 68 CA GLY 922 14.736 -1.697 10.632 1.00 1.00 ATOM 69 CA MET 923 11.280 -0.168 10.619 1.00 1.00 ATOM 70 CA GLU 924 9.135 0.968 13.506 1.00 1.00 ATOM 71 CA LEU 925 6.108 3.288 13.582 1.00 1.00 ATOM 72 CA SER 926 6.502 6.822 14.858 1.00 1.00 ATOM 73 CA ALA 933 2.730 7.257 14.696 1.00 1.00 ATOM 74 CA ARG 934 0.825 5.754 17.625 1.00 1.00 ATOM 75 CA MET 935 -1.420 3.160 15.979 1.00 1.00 ATOM 76 CA ALA 936 -4.041 0.759 17.360 1.00 1.00 ATOM 77 CA ARG 937 -3.365 -2.497 15.458 1.00 1.00 ATOM 78 CA PRO 938 -2.625 -6.201 16.257 1.00 1.00 ATOM 79 CA GLN 939 0.816 -6.136 14.586 1.00 1.00 ATOM 80 CA GLY 940 2.059 -2.758 15.734 1.00 1.00 ATOM 81 CA SER 941 3.079 -1.789 19.266 1.00 1.00 ATOM 82 CA SER 942 1.344 1.393 20.350 1.00 1.00 ATOM 83 CA VAL 943 4.227 1.918 22.769 1.00 1.00 ATOM 84 CA HIS 944 7.410 1.115 20.798 1.00 1.00 ATOM 85 CA ASP 945 6.024 1.267 17.263 1.00 1.00 ATOM 86 CA GLY 946 7.522 -2.190 16.802 1.00 1.00 ATOM 87 CA VAL 947 6.113 -4.188 13.863 1.00 1.00 ATOM 88 CA PRO 948 5.335 -7.885 13.477 1.00 1.00 ATOM 89 CA VAL 949 5.597 -8.562 9.717 1.00 1.00 ATOM 90 CA PRO 950 7.457 -11.411 8.009 1.00 1.00 ATOM 91 CA PHE 951 9.299 -9.421 5.339 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 09:04:10 2002 Date: Mon, 22 Jul 2002 09:04:05 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0134 TS samt02.pdb 5 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Jul 22 08:35:52 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_472166_13048 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0134TS189_5 Current information on models submitted in prediction T0134TS189 MODEL_INDEX PIN CODE DATE E-mail T0134TS189_5 PIN_472166_13048 5035-2079-5263 07/22/02 08:35:52 casp5@bialko.llnl.gov T0134TS189_4 PIN_471300_13047 5035-2079-5263 07/22/02 08:35:40 casp5@bialko.llnl.gov T0134TS189_2 PIN_480920_13046 5035-2079-5263 07/22/02 08:35:27 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 T0134 MODEL_INDEX PIN CODE DATE E-mail T0134TS189_2 PIN_480920_13046 5035-2079-5263 07/22/02 08:35:27 casp5@bialko.llnl.gov T0134TS189_4 PIN_471300_13047 5035-2079-5263 07/22/02 08:35:40 casp5@bialko.llnl.gov T0134TS189_5 PIN_472166_13048 5035-2079-5263 07/22/02 08:35:52 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 T0134 AUTHOR 5035-2079-5263 # Reading MODEL 5 PARENT 1DM6_A # Loading PARENT structure: 1dm6 (chain: A) # Number of residues in PARENT structure: 416 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 5 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1020 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 L 1021 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1022 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1023 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1024 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1025 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1026 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1027 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1028 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1029 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1030 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1031 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1032 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1033 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1034 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1035 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1036 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1037 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1038 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1039 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1040 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 1041 # IMPORTANT NOTE! Not complete main chain atoms for residue N 1042 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1043 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1044 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1045 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1046 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1047 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1048 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1049 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1050 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1051 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1052 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1053 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1054 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1055 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1056 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1057 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1058 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1059 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1060 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1061 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1062 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1063 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1064 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1065 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 1066 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1067 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1068 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1069 # Checking the TS prediction MODEL 5 (DONE) # MODEL index: 5 # Target name: T0134 # Total number of residues in target: 251 # Total number of residues in model: 50 # Total number of atoms in model: 50 # Number of atoms with 1.0 occupancy: 50 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 50 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0134 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 5 PARENT 1DM6_A ATOM 342 CA LEU 1020 21.592 7.973 28.949 1.00 1.00 ATOM 343 CA LEU 1021 20.165 4.746 27.548 1.00 1.00 ATOM 344 CA GLU 1022 22.290 1.734 28.466 1.00 1.00 ATOM 345 CA SER 1023 21.815 -1.586 26.659 1.00 1.00 ATOM 346 CA GLY 1024 24.206 -4.520 26.990 1.00 1.00 ATOM 347 CA ASP 1025 27.047 -2.267 28.076 1.00 1.00 ATOM 348 CA LEU 1026 26.589 0.087 25.129 1.00 1.00 ATOM 349 CA SER 1027 25.814 3.715 25.997 1.00 1.00 ATOM 350 CA MET 1028 23.500 5.968 24.007 1.00 1.00 ATOM 351 CA SER 1029 24.259 9.438 25.427 1.00 1.00 ATOM 352 CA SER 1030 21.679 11.052 23.145 1.00 1.00 ATOM 353 CA ILE 1031 18.357 9.200 22.991 1.00 1.00 ATOM 354 CA LYS 1032 15.382 11.467 23.696 1.00 1.00 ATOM 355 CA VAL 1033 12.166 9.749 24.761 1.00 1.00 ATOM 356 CA ASP 1034 8.575 10.941 25.227 1.00 1.00 ATOM 357 CA GLY 1035 5.140 9.716 26.278 1.00 1.00 ATOM 358 CA ILE 1036 2.390 11.991 27.589 1.00 1.00 ATOM 359 CA ARG 1037 1.808 13.845 30.848 1.00 1.00 ATOM 360 CA MET 1038 0.145 12.717 34.045 1.00 1.00 ATOM 361 CA SER 1039 -1.673 15.902 35.100 1.00 1.00 ATOM 362 CA PHE 1040 0.023 16.237 38.510 1.00 1.00 ATOM 363 CA GLN 1041 3.376 16.720 36.772 1.00 1.00 ATOM 364 CA ASN 1042 2.038 20.006 35.387 1.00 1.00 ATOM 365 CA LEU 1043 -0.635 21.100 37.842 1.00 1.00 ATOM 366 CA LEU 1044 1.167 20.172 41.047 1.00 1.00 ATOM 367 CA ALA 1045 4.948 20.031 40.437 1.00 1.00 ATOM 368 CA LYS 1046 5.787 22.424 37.569 1.00 1.00 ATOM 369 CA ILE 1047 3.165 24.988 38.568 1.00 1.00 ATOM 370 CA CYS 1048 3.094 24.756 42.374 1.00 1.00 ATOM 371 CA PHE 1049 6.580 23.673 43.497 1.00 1.00 ATOM 372 CA HIS 1050 8.149 26.481 45.543 1.00 1.00 ATOM 373 CA HIS 1051 11.224 26.488 43.279 1.00 1.00 ATOM 374 CA HIS 1052 9.204 26.340 40.058 1.00 1.00 ATOM 375 CA PHE 1053 6.330 28.627 38.929 1.00 1.00 ATOM 376 CA SER 1054 5.049 28.790 42.524 1.00 1.00 ATOM 377 CA VAL 1055 1.499 29.928 41.624 1.00 1.00 ATOM 378 CA VAL 1056 -0.217 28.500 44.715 1.00 1.00 ATOM 379 CA GLU 1057 -0.547 31.823 46.563 1.00 1.00 ATOM 380 CA ARG 1058 -1.783 33.713 43.486 1.00 1.00 ATOM 381 CA VAL 1059 -4.521 31.169 42.798 1.00 1.00 ATOM 382 CA ASP 1060 -5.495 31.027 46.473 1.00 1.00 ATOM 383 CA SER 1061 -5.811 34.833 46.576 1.00 1.00 ATOM 384 CA CYS 1062 -8.035 34.678 43.465 1.00 1.00 ATOM 385 CA ALA 1063 -10.137 32.058 45.235 1.00 1.00 ATOM 386 CA SER 1064 -10.305 34.456 48.178 1.00 1.00 ATOM 387 CA MET 1065 -8.880 31.928 50.624 1.00 1.00 ATOM 388 CA TYR 1066 -7.174 32.702 53.930 1.00 1.00 ATOM 389 CA SER 1067 -3.481 32.393 53.028 1.00 1.00 ATOM 390 CA ARG 1068 -2.613 33.762 56.467 1.00 1.00 ATOM 391 CA SER 1069 -3.098 30.427 58.202 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 09:04:21 2002 Date: Mon, 22 Jul 2002 09:04:15 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0134 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 Mon Jul 22 08:36:05 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_487584_13049 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0134TS189_3 Current information on models submitted in prediction T0134TS189 MODEL_INDEX PIN CODE DATE E-mail T0134TS189_3 PIN_487584_13049 5035-2079-5263 07/22/02 08:36:05 casp5@bialko.llnl.gov T0134TS189_5 PIN_472166_13048 5035-2079-5263 07/22/02 08:35:52 casp5@bialko.llnl.gov T0134TS189_4 PIN_471300_13047 5035-2079-5263 07/22/02 08:35:40 casp5@bialko.llnl.gov T0134TS189_2 PIN_480920_13046 5035-2079-5263 07/22/02 08:35:27 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 T0134 MODEL_INDEX PIN CODE DATE E-mail T0134TS189_2 PIN_480920_13046 5035-2079-5263 07/22/02 08:35:27 casp5@bialko.llnl.gov T0134TS189_3 PIN_487584_13049 5035-2079-5263 07/22/02 08:36:05 casp5@bialko.llnl.gov T0134TS189_4 PIN_471300_13047 5035-2079-5263 07/22/02 08:35:40 casp5@bialko.llnl.gov T0134TS189_5 PIN_472166_13048 5035-2079-5263 07/22/02 08:35:52 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 T0134 AUTHOR 5035-2079-5263 # Reading MODEL 3 PARENT 1BHG_A # Loading PARENT structure: 1bhg (chain: A) # Number of residues in PARENT structure: 611 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 3 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 874 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 L 875 # IMPORTANT NOTE! Not complete main chain atoms for residue P 876 # IMPORTANT NOTE! Not complete main chain atoms for residue P 877 # IMPORTANT NOTE! Not complete main chain atoms for residue E 878 # IMPORTANT NOTE! Not complete main chain atoms for residue S 879 # IMPORTANT NOTE! Not complete main chain atoms for residue S 880 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 881 # IMPORTANT NOTE! Not complete main chain atoms for residue S 882 # IMPORTANT NOTE! Not complete main chain atoms for residue E 886 # IMPORTANT NOTE! Not complete main chain atoms for residue N 887 # IMPORTANT NOTE! Not complete main chain atoms for residue S 888 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 889 # IMPORTANT NOTE! Not complete main chain atoms for residue V 890 # IMPORTANT NOTE! Not complete main chain atoms for residue K 891 # IMPORTANT NOTE! Not complete main chain atoms for residue M 892 # IMPORTANT NOTE! Not complete main chain atoms for residue T 893 # IMPORTANT NOTE! Not complete main chain atoms for residue C 894 # IMPORTANT NOTE! Not complete main chain atoms for residue D 895 # IMPORTANT NOTE! Not complete main chain atoms for residue I 896 # IMPORTANT NOTE! Not complete main chain atoms for residue R 897 # IMPORTANT NOTE! Not complete main chain atoms for residue G 898 # IMPORTANT NOTE! Not complete main chain atoms for residue S 899 # IMPORTANT NOTE! Not complete main chain atoms for residue L 900 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 901 # IMPORTANT NOTE! Not complete main chain atoms for residue E 902 # IMPORTANT NOTE! Not complete main chain atoms for residue D 903 # IMPORTANT NOTE! Not complete main chain atoms for residue S 904 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 905 # IMPORTANT NOTE! Not complete main chain atoms for residue V 906 # IMPORTANT NOTE! Not complete main chain atoms for residue T 907 # IMPORTANT NOTE! Not complete main chain atoms for residue V 908 # IMPORTANT NOTE! Not complete main chain atoms for residue A 909 # IMPORTANT NOTE! Not complete main chain atoms for residue I 910 # IMPORTANT NOTE! Not complete main chain atoms for residue V 911 # IMPORTANT NOTE! Not complete main chain atoms for residue L 912 # IMPORTANT NOTE! Not complete main chain atoms for residue E 913 # IMPORTANT NOTE! Not complete main chain atoms for residue N 914 # IMPORTANT NOTE! Not complete main chain atoms for residue R 915 # IMPORTANT NOTE! Not complete main chain atoms for residue S 916 # IMPORTANT NOTE! Not complete main chain atoms for residue L 920 # IMPORTANT NOTE! Not complete main chain atoms for residue K 921 # IMPORTANT NOTE! Not complete main chain atoms for residue G 922 # IMPORTANT NOTE! Not complete main chain atoms for residue M 923 # IMPORTANT NOTE! Not complete main chain atoms for residue E 924 # IMPORTANT NOTE! Not complete main chain atoms for residue L 925 # IMPORTANT NOTE! Not complete main chain atoms for residue S 926 # IMPORTANT NOTE! Not complete main chain atoms for residue V 927 # IMPORTANT NOTE! Not complete main chain atoms for residue L 928 # IMPORTANT NOTE! Not complete main chain atoms for residue A 936 # IMPORTANT NOTE! Not complete main chain atoms for residue R 937 # IMPORTANT NOTE! Not complete main chain atoms for residue P 938 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 939 # IMPORTANT NOTE! Not complete main chain atoms for residue G 940 # IMPORTANT NOTE! Not complete main chain atoms for residue S 941 # IMPORTANT NOTE! Not complete main chain atoms for residue S 942 # IMPORTANT NOTE! Not complete main chain atoms for residue V 943 # IMPORTANT NOTE! Not complete main chain atoms for residue H 944 # IMPORTANT NOTE! Not complete main chain atoms for residue D 945 # IMPORTANT NOTE! Not complete main chain atoms for residue G 946 # IMPORTANT NOTE! Not complete main chain atoms for residue V 947 # IMPORTANT NOTE! Not complete main chain atoms for residue P 948 # IMPORTANT NOTE! Not complete main chain atoms for residue V 949 # IMPORTANT NOTE! Not complete main chain atoms for residue P 950 # IMPORTANT NOTE! Not complete main chain atoms for residue F 951 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 952 # IMPORTANT NOTE! Not complete main chain atoms for residue L 953 # IMPORTANT NOTE! Not complete main chain atoms for residue P 954 # IMPORTANT NOTE! Not complete main chain atoms for residue P 955 # IMPORTANT NOTE! Not complete main chain atoms for residue G 956 # IMPORTANT NOTE! Not complete main chain atoms for residue V 957 # IMPORTANT NOTE! Not complete main chain atoms for residue S 958 # IMPORTANT NOTE! Not complete main chain atoms for residue N 959 # IMPORTANT NOTE! Not complete main chain atoms for residue E 960 # IMPORTANT NOTE! Not complete main chain atoms for residue A 961 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 962 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 963 # IMPORTANT NOTE! Not complete main chain atoms for residue V 964 # IMPORTANT NOTE! Not complete main chain atoms for residue F 965 # IMPORTANT NOTE! Not complete main chain atoms for residue T 966 # IMPORTANT NOTE! Not complete main chain atoms for residue I 967 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 968 # IMPORTANT NOTE! Not complete main chain atoms for residue S 969 # IMPORTANT NOTE! Not complete main chain atoms for residue I 970 # IMPORTANT NOTE! Not complete main chain atoms for residue V 971 # IMPORTANT NOTE! Not complete main chain atoms for residue M 972 # IMPORTANT NOTE! Not complete main chain atoms for residue A 973 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 974 # IMPORTANT NOTE! Not complete main chain atoms for residue K 975 # IMPORTANT NOTE! Not complete main chain atoms for residue L 976 # IMPORTANT NOTE! Not complete main chain atoms for residue K 977 # IMPORTANT NOTE! Not complete main chain atoms for residue G 978 # IMPORTANT NOTE! Not complete main chain atoms for residue T 979 # IMPORTANT NOTE! Not complete main chain atoms for residue L 980 # IMPORTANT NOTE! Not complete main chain atoms for residue S 981 # IMPORTANT NOTE! Not complete main chain atoms for residue F 982 # IMPORTANT NOTE! Not complete main chain atoms for residue I 983 # IMPORTANT NOTE! Not complete main chain atoms for residue A 984 # IMPORTANT NOTE! Not complete main chain atoms for residue K 985 # IMPORTANT NOTE! Not complete main chain atoms for residue N 986 # IMPORTANT NOTE! Not complete main chain atoms for residue D 987 # IMPORTANT NOTE! Not complete main chain atoms for residue E 988 # IMPORTANT NOTE! Not complete main chain atoms for residue G 989 # IMPORTANT NOTE! Not complete main chain atoms for residue A 990 # IMPORTANT NOTE! Not complete main chain atoms for residue H 992 # IMPORTANT NOTE! Not complete main chain atoms for residue K 994 # IMPORTANT NOTE! Not complete main chain atoms for residue L 995 # IMPORTANT NOTE! Not complete main chain atoms for residue D 996 # IMPORTANT NOTE! Not complete main chain atoms for residue F 997 # IMPORTANT NOTE! Not complete main chain atoms for residue R 998 # IMPORTANT NOTE! Not complete main chain atoms for residue L 999 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1000 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1001 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1002 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1003 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1004 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1005 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 1006 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1007 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1008 # IMPORTANT NOTE! Not complete main chain atoms for residue T 1009 # IMPORTANT NOTE! Not complete main chain atoms for residue T 1010 # IMPORTANT NOTE! Not complete main chain atoms for residue P 1011 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1012 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 1013 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1014 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1015 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1016 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1017 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1018 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1019 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1020 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1021 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1022 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1043 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1044 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1045 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1046 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1047 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1048 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1049 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1050 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1051 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1052 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1053 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1054 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1055 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1056 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1057 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1058 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1059 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1060 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1061 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1062 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1063 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1064 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1065 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 1066 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1067 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1068 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1069 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1070 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 1071 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1072 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1073 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1074 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1075 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1076 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1077 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1078 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1079 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1080 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1081 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1082 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1083 # IMPORTANT NOTE! Not complete main chain atoms for residue N 1084 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1085 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1089 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1090 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1091 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1092 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1093 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1094 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1095 # IMPORTANT NOTE! Not complete main chain atoms for residue T 1096 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1097 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1098 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1099 # IMPORTANT NOTE! Not complete main chain atoms for residue N 1100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1104 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1105 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1107 # IMPORTANT NOTE! Not complete main chain atoms for residue T 1108 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1109 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1110 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1111 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1112 # Checking the TS prediction MODEL 3 (DONE) # MODEL index: 3 # Target name: T0134 # Total number of residues in target: 251 # Total number of residues in model: 201 # Total number of atoms in model: 201 # Number of atoms with 1.0 occupancy: 201 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 201 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0134 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 3 PARENT 1BHG_A ATOM 76 CA GLN 874 109.528 68.334 70.102 1.00 1.00 ATOM 77 CA LEU 875 105.920 69.321 70.514 1.00 1.00 ATOM 78 CA PRO 876 102.646 67.433 70.146 1.00 1.00 ATOM 79 CA PRO 877 99.507 68.862 68.579 1.00 1.00 ATOM 80 CA GLU 878 96.872 69.410 69.934 1.00 1.00 ATOM 81 CA SER 879 98.522 70.316 73.259 1.00 1.00 ATOM 82 CA SER 880 99.544 73.292 75.348 1.00 1.00 ATOM 83 CA TYR 881 103.318 73.383 75.706 1.00 1.00 ATOM 84 CA SER 882 102.957 74.563 79.322 1.00 1.00 ATOM 342 CA GLU 886 59.169 75.273 78.991 1.00 1.00 ATOM 343 CA ASN 887 62.749 74.290 79.523 1.00 1.00 ATOM 344 CA SER 888 64.691 74.441 82.809 1.00 1.00 ATOM 345 CA TYR 889 68.465 74.474 82.605 1.00 1.00 ATOM 346 CA VAL 890 70.086 71.979 84.962 1.00 1.00 ATOM 347 CA LYS 891 73.522 71.553 83.633 1.00 1.00 ATOM 348 CA MET 892 77.054 72.606 84.460 1.00 1.00 ATOM 349 CA THR 893 79.948 74.891 83.480 1.00 1.00 ATOM 350 CA CYS 894 82.886 72.958 82.042 1.00 1.00 ATOM 351 CA ASP 895 86.319 73.900 80.710 1.00 1.00 ATOM 352 CA ILE 896 89.086 72.557 78.452 1.00 1.00 ATOM 353 CA ARG 897 91.666 71.239 80.855 1.00 1.00 ATOM 354 CA GLY 898 93.408 68.010 81.911 1.00 1.00 ATOM 355 CA SER 899 96.755 66.650 83.127 1.00 1.00 ATOM 356 CA LEU 900 99.675 66.953 80.699 1.00 1.00 ATOM 357 CA GLN 901 97.706 68.198 77.587 1.00 1.00 ATOM 358 CA GLU 902 96.506 71.457 79.142 1.00 1.00 ATOM 364 CA ASP 903 88.811 60.007 74.665 1.00 1.00 ATOM 365 CA SER 904 88.519 62.801 77.262 1.00 1.00 ATOM 366 CA GLN 905 85.711 64.222 75.094 1.00 1.00 ATOM 367 CA VAL 906 83.812 60.903 75.138 1.00 1.00 ATOM 368 CA THR 907 84.229 60.274 78.931 1.00 1.00 ATOM 369 CA VAL 908 83.045 63.843 79.668 1.00 1.00 ATOM 370 CA ALA 909 79.915 63.286 77.524 1.00 1.00 ATOM 371 CA ILE 910 79.139 60.005 79.246 1.00 1.00 ATOM 372 CA VAL 911 79.444 61.759 82.644 1.00 1.00 ATOM 373 CA LEU 912 77.098 64.587 81.560 1.00 1.00 ATOM 374 CA GLU 913 74.406 62.013 80.668 1.00 1.00 ATOM 375 CA ASN 914 75.404 60.089 83.814 1.00 1.00 ATOM 376 CA ARG 915 74.677 63.179 85.905 1.00 1.00 ATOM 377 CA SER 916 71.542 64.226 84.084 1.00 1.00 ATOM 378 CA LEU 920 72.807 67.636 82.989 1.00 1.00 ATOM 379 CA LYS 921 71.096 68.475 79.750 1.00 1.00 ATOM 380 CA GLY 922 73.112 71.726 79.301 1.00 1.00 ATOM 381 CA MET 923 76.400 73.527 79.731 1.00 1.00 ATOM 382 CA GLU 924 78.140 76.855 79.331 1.00 1.00 ATOM 383 CA LEU 925 81.101 77.483 77.175 1.00 1.00 ATOM 384 CA SER 926 82.949 78.705 80.219 1.00 1.00 ATOM 385 CA VAL 927 84.612 82.030 79.273 1.00 1.00 ATOM 386 CA LEU 928 85.669 81.030 75.771 1.00 1.00 ATOM 388 CA ALA 936 85.198 75.364 72.574 1.00 1.00 ATOM 389 CA ARG 937 86.908 73.063 70.115 1.00 1.00 ATOM 390 CA PRO 938 84.292 71.819 67.626 1.00 1.00 ATOM 391 CA GLN 939 82.471 69.394 69.947 1.00 1.00 ATOM 392 CA GLY 940 79.542 71.739 69.637 1.00 1.00 ATOM 393 CA SER 941 78.544 69.065 67.085 1.00 1.00 ATOM 394 CA SER 942 78.712 66.614 69.980 1.00 1.00 ATOM 395 CA VAL 943 76.003 68.757 71.660 1.00 1.00 ATOM 396 CA HIS 944 74.007 68.304 68.450 1.00 1.00 ATOM 397 CA ASP 945 74.354 64.493 68.162 1.00 1.00 ATOM 400 CA GLY 946 71.055 66.868 72.876 1.00 1.00 ATOM 401 CA VAL 947 73.219 68.978 75.281 1.00 1.00 ATOM 402 CA PRO 948 71.997 72.641 74.983 1.00 1.00 ATOM 403 CA VAL 949 74.829 75.262 74.938 1.00 1.00 ATOM 404 CA PRO 950 75.321 78.882 76.145 1.00 1.00 ATOM 405 CA PHE 951 78.242 80.026 73.897 1.00 1.00 ATOM 406 CA GLN 952 80.673 82.515 75.487 1.00 1.00 ATOM 407 CA LEU 953 83.468 84.620 73.885 1.00 1.00 ATOM 408 CA PRO 954 86.559 85.594 75.963 1.00 1.00 ATOM 409 CA PRO 955 85.125 88.622 77.793 1.00 1.00 ATOM 410 CA GLY 956 86.729 87.423 81.057 1.00 1.00 ATOM 418 CA VAL 957 86.692 99.303 78.276 1.00 1.00 ATOM 419 CA SER 958 88.329 101.664 75.792 1.00 1.00 ATOM 420 CA ASN 959 87.039 102.056 72.205 1.00 1.00 ATOM 421 CA GLU 960 89.592 99.856 70.453 1.00 1.00 ATOM 422 CA ALA 961 88.724 97.117 72.945 1.00 1.00 ATOM 423 CA GLN 962 85.057 97.641 72.056 1.00 1.00 ATOM 424 CA TYR 963 85.767 97.388 68.369 1.00 1.00 ATOM 425 CA VAL 964 87.710 94.204 69.058 1.00 1.00 ATOM 426 CA PHE 965 84.913 92.574 71.064 1.00 1.00 ATOM 427 CA THR 966 82.680 93.202 68.050 1.00 1.00 ATOM 428 CA ILE 967 85.122 91.422 65.764 1.00 1.00 ATOM 429 CA GLN 968 85.438 88.370 68.049 1.00 1.00 ATOM 430 CA SER 969 81.630 88.213 68.361 1.00 1.00 ATOM 431 CA ILE 970 81.373 87.930 64.540 1.00 1.00 ATOM 432 CA VAL 971 83.841 85.002 64.485 1.00 1.00 ATOM 433 CA MET 972 82.238 83.204 67.470 1.00 1.00 ATOM 434 CA ALA 973 78.867 83.611 65.766 1.00 1.00 ATOM 435 CA GLN 974 80.253 82.621 62.357 1.00 1.00 ATOM 436 CA LYS 975 81.609 79.408 63.704 1.00 1.00 ATOM 437 CA LEU 976 78.686 78.297 65.890 1.00 1.00 ATOM 438 CA LYS 977 75.616 79.896 64.283 1.00 1.00 ATOM 439 CA GLY 978 74.792 76.536 62.735 1.00 1.00 ATOM 440 CA THR 979 74.592 74.414 65.863 1.00 1.00 ATOM 443 CA LEU 980 73.530 76.624 71.030 1.00 1.00 ATOM 444 CA SER 981 70.433 78.345 72.416 1.00 1.00 ATOM 445 CA PHE 982 72.022 81.456 73.897 1.00 1.00 ATOM 446 CA ILE 983 75.063 83.677 73.601 1.00 1.00 ATOM 447 CA ALA 984 77.106 85.252 76.362 1.00 1.00 ATOM 448 CA LYS 985 79.261 88.242 75.449 1.00 1.00 ATOM 449 CA ASN 986 80.902 88.411 78.849 1.00 1.00 ATOM 450 CA ASP 987 81.487 86.818 82.219 1.00 1.00 ATOM 451 CA GLU 988 81.610 88.982 85.339 1.00 1.00 ATOM 452 CA GLY 989 82.601 92.341 83.774 1.00 1.00 ATOM 453 CA ALA 990 82.811 95.614 85.829 1.00 1.00 ATOM 454 CA HIS 992 79.266 96.217 84.561 1.00 1.00 ATOM 456 CA LYS 994 80.976 101.020 85.941 1.00 1.00 ATOM 457 CA LEU 995 79.285 103.510 83.562 1.00 1.00 ATOM 458 CA ASP 996 81.542 103.047 80.564 1.00 1.00 ATOM 459 CA PHE 997 81.058 99.254 80.700 1.00 1.00 ATOM 460 CA ARG 998 77.246 99.484 80.448 1.00 1.00 ATOM 461 CA LEU 999 77.638 101.369 77.143 1.00 1.00 ATOM 462 CA HIS 1000 80.253 98.914 75.872 1.00 1.00 ATOM 463 CA PHE 1001 77.868 96.074 76.848 1.00 1.00 ATOM 464 CA SER 1002 74.798 97.492 75.075 1.00 1.00 ATOM 470 CA CYS 1003 75.155 90.167 68.432 1.00 1.00 ATOM 471 CA SER 1004 71.431 90.688 68.188 1.00 1.00 ATOM 472 CA SER 1005 72.260 91.772 64.667 1.00 1.00 ATOM 473 CA TYR 1006 74.335 89.260 62.716 1.00 1.00 ATOM 474 CA LEU 1007 72.184 86.688 64.582 1.00 1.00 ATOM 475 CA ILE 1008 68.484 87.272 65.468 1.00 1.00 ATOM 476 CA THR 1009 67.741 83.614 66.184 1.00 1.00 ATOM 477 CA THR 1010 68.541 83.315 69.851 1.00 1.00 ATOM 478 CA PRO 1011 68.877 85.733 72.855 1.00 1.00 ATOM 479 CA CYS 1012 72.107 87.264 74.108 1.00 1.00 ATOM 480 CA TYR 1013 73.462 87.806 77.589 1.00 1.00 ATOM 481 CA SER 1014 76.533 88.201 79.759 1.00 1.00 ATOM 482 CA ASP 1015 76.855 86.601 83.181 1.00 1.00 ATOM 483 CA ALA 1016 77.353 88.858 86.223 1.00 1.00 ATOM 484 CA PHE 1017 78.419 89.021 89.885 1.00 1.00 ATOM 490 CA ALA 1018 74.580 96.654 87.414 1.00 1.00 ATOM 491 CA LYS 1019 74.516 98.974 84.355 1.00 1.00 ATOM 492 CA LEU 1020 74.459 96.371 81.608 1.00 1.00 ATOM 493 CA LEU 1021 71.580 94.377 83.043 1.00 1.00 ATOM 494 CA GLU 1022 68.825 96.393 81.368 1.00 1.00 ATOM 495 CA LEU 1043 70.069 94.962 78.068 1.00 1.00 ATOM 496 CA LEU 1044 70.230 91.179 78.649 1.00 1.00 ATOM 497 CA ALA 1045 67.309 88.955 77.466 1.00 1.00 ATOM 498 CA LYS 1046 67.756 86.525 80.380 1.00 1.00 ATOM 499 CA ILE 1047 69.491 87.145 83.752 1.00 1.00 ATOM 500 CA CYS 1048 72.668 85.099 84.620 1.00 1.00 ATOM 501 CA PHE 1049 73.865 85.365 88.250 1.00 1.00 ATOM 502 CA HIS 1050 76.933 84.291 90.133 1.00 1.00 ATOM 503 CA HIS 1051 76.823 84.013 93.911 1.00 1.00 ATOM 504 CA HIS 1052 78.906 81.991 96.325 1.00 1.00 ATOM 505 CA PHE 1053 77.103 82.564 99.617 1.00 1.00 ATOM 520 CA SER 1054 70.668 85.610 101.038 1.00 1.00 ATOM 521 CA VAL 1055 69.526 83.702 97.947 1.00 1.00 ATOM 522 CA VAL 1056 65.776 84.092 97.779 1.00 1.00 ATOM 523 CA GLU 1057 66.348 87.852 98.088 1.00 1.00 ATOM 524 CA ARG 1058 68.887 88.243 95.293 1.00 1.00 ATOM 525 CA VAL 1059 66.283 86.665 93.044 1.00 1.00 ATOM 526 CA ASP 1060 63.368 88.816 94.304 1.00 1.00 ATOM 527 CA SER 1061 65.388 92.018 93.990 1.00 1.00 ATOM 528 CA CYS 1062 66.575 90.984 90.476 1.00 1.00 ATOM 529 CA ALA 1063 63.201 90.052 89.017 1.00 1.00 ATOM 530 CA SER 1064 61.247 92.845 90.772 1.00 1.00 ATOM 531 CA MET 1065 63.483 95.366 89.015 1.00 1.00 ATOM 573 CA TYR 1066 66.360 77.380 93.611 1.00 1.00 ATOM 574 CA SER 1067 63.329 75.178 94.343 1.00 1.00 ATOM 575 CA ARG 1068 61.246 78.080 95.583 1.00 1.00 ATOM 576 CA SER 1069 61.472 80.090 92.369 1.00 1.00 ATOM 581 CA ILE 1070 64.414 81.280 87.660 1.00 1.00 ATOM 582 CA GLN 1071 64.929 79.212 84.481 1.00 1.00 ATOM 583 CA GLY 1072 68.269 77.666 84.919 1.00 1.00 ATOM 584 CA HIS 1073 70.951 76.199 87.047 1.00 1.00 ATOM 585 CA HIS 1074 74.614 75.706 86.408 1.00 1.00 ATOM 586 CA VAL 1075 76.706 74.423 89.269 1.00 1.00 ATOM 587 CA CYS 1076 80.192 75.944 88.982 1.00 1.00 ATOM 588 CA LEU 1077 82.593 73.368 87.685 1.00 1.00 ATOM 589 CA LEU 1078 82.162 70.033 86.096 1.00 1.00 ATOM 590 CA VAL 1079 85.758 69.458 87.127 1.00 1.00 ATOM 591 CA LYS 1080 88.883 70.797 88.774 1.00 1.00 ATOM 592 CA LYS 1081 91.223 72.747 86.537 1.00 1.00 ATOM 593 CA GLY 1082 94.470 74.634 86.549 1.00 1.00 ATOM 594 CA GLU 1083 94.581 78.259 87.556 1.00 1.00 ATOM 595 CA ASN 1084 97.391 80.750 87.999 1.00 1.00 ATOM 596 CA SER 1085 99.199 80.184 91.389 1.00 1.00 ATOM 597 CA ASP 1089 97.515 82.015 94.358 1.00 1.00 ATOM 598 CA GLY 1090 97.000 81.257 98.174 1.00 1.00 ATOM 599 CA LYS 1091 93.329 80.871 97.462 1.00 1.00 ATOM 600 CA CYS 1092 93.980 78.425 94.658 1.00 1.00 ATOM 601 CA SER 1093 95.308 75.036 95.702 1.00 1.00 ATOM 611 CA ASP 1094 90.652 66.619 87.170 1.00 1.00 ATOM 612 CA SER 1095 90.807 62.931 86.197 1.00 1.00 ATOM 613 CA THR 1096 86.998 62.667 85.977 1.00 1.00 ATOM 614 CA LEU 1097 86.447 60.632 89.151 1.00 1.00 ATOM 615 CA LEU 1098 83.290 61.646 91.108 1.00 1.00 ATOM 616 CA SER 1099 83.060 63.431 94.456 1.00 1.00 ATOM 617 CA ASN 1100 80.356 62.840 97.097 1.00 1.00 ATOM 618 CA LEU 1101 78.552 66.005 95.927 1.00 1.00 ATOM 619 CA LEU 1102 78.312 64.588 92.356 1.00 1.00 ATOM 620 CA GLU 1103 75.998 61.776 93.429 1.00 1.00 ATOM 621 CA GLU 1104 73.757 64.344 95.110 1.00 1.00 ATOM 622 CA MET 1105 73.640 66.612 92.065 1.00 1.00 ATOM 623 CA LYS 1106 72.977 63.521 89.948 1.00 1.00 ATOM 624 CA ALA 1107 69.962 62.765 92.141 1.00 1.00 ATOM 625 CA THR 1108 68.488 66.256 91.809 1.00 1.00 ATOM 626 CA LEU 1109 69.107 66.577 88.080 1.00 1.00 ATOM 627 CA ALA 1110 67.404 63.272 87.472 1.00 1.00 ATOM 628 CA LYS 1111 64.513 64.019 89.849 1.00 1.00 ATOM 629 CA CYS 1112 63.822 67.305 88.091 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jul 22 09:07:49 2002 Date: Mon, 22 Jul 2002 09:07:44 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0134 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 Mon Jul 22 08:39:24 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_521643_13064 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0134TS189_1 Current information on models submitted in prediction T0134TS189 MODEL_INDEX PIN CODE DATE E-mail T0134TS189_1 PIN_521643_13064 5035-2079-5263 07/22/02 08:39:24 casp5@bialko.llnl.gov T0134TS189_3 PIN_487584_13049 5035-2079-5263 07/22/02 08:36:05 casp5@bialko.llnl.gov T0134TS189_5 PIN_472166_13048 5035-2079-5263 07/22/02 08:35:52 casp5@bialko.llnl.gov T0134TS189_4 PIN_471300_13047 5035-2079-5263 07/22/02 08:35:40 casp5@bialko.llnl.gov T0134TS189_2 PIN_480920_13046 5035-2079-5263 07/22/02 08:35:27 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 T0134 MODEL_INDEX PIN CODE DATE E-mail T0134TS189_1 PIN_521643_13064 5035-2079-5263 07/22/02 08:39:24 casp5@bialko.llnl.gov T0134TS189_2 PIN_480920_13046 5035-2079-5263 07/22/02 08:35:27 casp5@bialko.llnl.gov T0134TS189_3 PIN_487584_13049 5035-2079-5263 07/22/02 08:36:05 casp5@bialko.llnl.gov T0134TS189_4 PIN_471300_13047 5035-2079-5263 07/22/02 08:35:40 casp5@bialko.llnl.gov T0134TS189_5 PIN_472166_13048 5035-2079-5263 07/22/02 08:35:52 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 T0134 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1QTS_A # Loading PARENT structure: 1qts (chain: A) # Number of residues in PARENT structure: 247 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue G 862 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue E 863 # IMPORTANT NOTE! Not complete main chain atoms for residue P 864 # IMPORTANT NOTE! Not complete main chain atoms for residue V 865 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 866 # IMPORTANT NOTE! Not complete main chain atoms for residue N 867 # IMPORTANT NOTE! Not complete main chain atoms for residue G 868 # IMPORTANT NOTE! Not complete main chain atoms for residue A 869 # IMPORTANT NOTE! Not complete main chain atoms for residue P 870 # IMPORTANT NOTE! Not complete main chain atoms for residue E 871 # IMPORTANT NOTE! Not complete main chain atoms for residue E 872 # IMPORTANT NOTE! Not complete main chain atoms for residue E 873 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 874 # IMPORTANT NOTE! Not complete main chain atoms for residue L 875 # IMPORTANT NOTE! Not complete main chain atoms for residue P 876 # IMPORTANT NOTE! Not complete main chain atoms for residue P 877 # IMPORTANT NOTE! Not complete main chain atoms for residue E 878 # IMPORTANT NOTE! Not complete main chain atoms for residue S 879 # IMPORTANT NOTE! Not complete main chain atoms for residue S 880 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 881 # IMPORTANT NOTE! Not complete main chain atoms for residue S 882 # IMPORTANT NOTE! Not complete main chain atoms for residue L 883 # IMPORTANT NOTE! Not complete main chain atoms for residue L 884 # IMPORTANT NOTE! Not complete main chain atoms for residue A 885 # IMPORTANT NOTE! Not complete main chain atoms for residue E 886 # IMPORTANT NOTE! Not complete main chain atoms for residue N 887 # IMPORTANT NOTE! Not complete main chain atoms for residue S 888 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 889 # IMPORTANT NOTE! Not complete main chain atoms for residue V 890 # IMPORTANT NOTE! Not complete main chain atoms for residue K 891 # IMPORTANT NOTE! Not complete main chain atoms for residue M 892 # IMPORTANT NOTE! Not complete main chain atoms for residue T 893 # IMPORTANT NOTE! Not complete main chain atoms for residue C 894 # IMPORTANT NOTE! Not complete main chain atoms for residue D 895 # IMPORTANT NOTE! Not complete main chain atoms for residue I 896 # IMPORTANT NOTE! Not complete main chain atoms for residue R 897 # IMPORTANT NOTE! Not complete main chain atoms for residue G 898 # IMPORTANT NOTE! Not complete main chain atoms for residue E 902 # IMPORTANT NOTE! Not complete main chain atoms for residue D 903 # IMPORTANT NOTE! Not complete main chain atoms for residue S 904 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 905 # IMPORTANT NOTE! Not complete main chain atoms for residue V 906 # IMPORTANT NOTE! Not complete main chain atoms for residue T 907 # IMPORTANT NOTE! Not complete main chain atoms for residue V 908 # IMPORTANT NOTE! Not complete main chain atoms for residue A 909 # IMPORTANT NOTE! Not complete main chain atoms for residue I 910 # IMPORTANT NOTE! Not complete main chain atoms for residue V 911 # IMPORTANT NOTE! Not complete main chain atoms for residue L 912 # IMPORTANT NOTE! Not complete main chain atoms for residue E 913 # IMPORTANT NOTE! Not complete main chain atoms for residue N 914 # IMPORTANT NOTE! Not complete main chain atoms for residue R 915 # IMPORTANT NOTE! Not complete main chain atoms for residue S 916 # IMPORTANT NOTE! Not complete main chain atoms for residue S 917 # IMPORTANT NOTE! Not complete main chain atoms for residue S 918 # IMPORTANT NOTE! Not complete main chain atoms for residue I 919 # IMPORTANT NOTE! Not complete main chain atoms for residue L 920 # IMPORTANT NOTE! Not complete main chain atoms for residue K 921 # IMPORTANT NOTE! Not complete main chain atoms for residue G 922 # IMPORTANT NOTE! Not complete main chain atoms for residue M 923 # IMPORTANT NOTE! Not complete main chain atoms for residue E 924 # IMPORTANT NOTE! Not complete main chain atoms for residue L 925 # IMPORTANT NOTE! Not complete main chain atoms for residue S 926 # IMPORTANT NOTE! Not complete main chain atoms for residue V 927 # IMPORTANT NOTE! Not complete main chain atoms for residue L 928 # IMPORTANT NOTE! Not complete main chain atoms for residue D 929 # IMPORTANT NOTE! Not complete main chain atoms for residue S 930 # IMPORTANT NOTE! Not complete main chain atoms for residue L 931 # IMPORTANT NOTE! Not complete main chain atoms for residue N 932 # IMPORTANT NOTE! Not complete main chain atoms for residue A 933 # IMPORTANT NOTE! Not complete main chain atoms for residue R 934 # IMPORTANT NOTE! Not complete main chain atoms for residue M 935 # IMPORTANT NOTE! Not complete main chain atoms for residue A 936 # IMPORTANT NOTE! Not complete main chain atoms for residue R 937 # IMPORTANT NOTE! Not complete main chain atoms for residue V 949 # IMPORTANT NOTE! Not complete main chain atoms for residue P 950 # IMPORTANT NOTE! Not complete main chain atoms for residue F 951 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 952 # IMPORTANT NOTE! Not complete main chain atoms for residue L 953 # IMPORTANT NOTE! Not complete main chain atoms for residue P 954 # IMPORTANT NOTE! Not complete main chain atoms for residue P 955 # IMPORTANT NOTE! Not complete main chain atoms for residue G 956 # IMPORTANT NOTE! Not complete main chain atoms for residue V 957 # IMPORTANT NOTE! Not complete main chain atoms for residue S 958 # IMPORTANT NOTE! Not complete main chain atoms for residue N 959 # IMPORTANT NOTE! Not complete main chain atoms for residue E 960 # IMPORTANT NOTE! Not complete main chain atoms for residue A 961 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 962 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 963 # IMPORTANT NOTE! Not complete main chain atoms for residue V 964 # IMPORTANT NOTE! Not complete main chain atoms for residue F 965 # IMPORTANT NOTE! Not complete main chain atoms for residue T 966 # IMPORTANT NOTE! Not complete main chain atoms for residue I 967 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 968 # IMPORTANT NOTE! Not complete main chain atoms for residue S 969 # IMPORTANT NOTE! Not complete main chain atoms for residue I 970 # IMPORTANT NOTE! Not complete main chain atoms for residue V 971 # IMPORTANT NOTE! Not complete main chain atoms for residue M 972 # IMPORTANT NOTE! Not complete main chain atoms for residue A 973 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 974 # IMPORTANT NOTE! Not complete main chain atoms for residue K 975 # IMPORTANT NOTE! Not complete main chain atoms for residue L 976 # IMPORTANT NOTE! Not complete main chain atoms for residue K 977 # IMPORTANT NOTE! Not complete main chain atoms for residue G 978 # IMPORTANT NOTE! Not complete main chain atoms for residue T 979 # IMPORTANT NOTE! Not complete main chain atoms for residue L 980 # IMPORTANT NOTE! Not complete main chain atoms for residue S 981 # IMPORTANT NOTE! Not complete main chain atoms for residue F 982 # IMPORTANT NOTE! Not complete main chain atoms for residue I 983 # IMPORTANT NOTE! Not complete main chain atoms for residue A 984 # IMPORTANT NOTE! Not complete main chain atoms for residue K 985 # IMPORTANT NOTE! Not complete main chain atoms for residue N 986 # IMPORTANT NOTE! Not complete main chain atoms for residue D 987 # IMPORTANT NOTE! Not complete main chain atoms for residue E 988 # IMPORTANT NOTE! Not complete main chain atoms for residue G 989 # IMPORTANT NOTE! Not complete main chain atoms for residue T 991 # IMPORTANT NOTE! Not complete main chain atoms for residue H 992 # IMPORTANT NOTE! Not complete main chain atoms for residue E 993 # IMPORTANT NOTE! Not complete main chain atoms for residue K 994 # IMPORTANT NOTE! Not complete main chain atoms for residue L 995 # IMPORTANT NOTE! Not complete main chain atoms for residue D 996 # IMPORTANT NOTE! Not complete main chain atoms for residue F 997 # IMPORTANT NOTE! Not complete main chain atoms for residue R 998 # IMPORTANT NOTE! Not complete main chain atoms for residue L 999 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1000 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1001 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1002 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1003 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1004 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1005 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 1006 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1007 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1008 # IMPORTANT NOTE! Not complete main chain atoms for residue T 1009 # IMPORTANT NOTE! Not complete main chain atoms for residue T 1010 # IMPORTANT NOTE! Not complete main chain atoms for residue P 1011 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1012 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 1013 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1014 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1015 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1016 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1017 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1018 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1019 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1020 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1021 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1022 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1023 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1024 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1025 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1026 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1027 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1028 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1029 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1030 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1031 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1032 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1033 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1034 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1035 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1036 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1037 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1038 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1039 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1040 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 1041 # IMPORTANT NOTE! Not complete main chain atoms for residue N 1042 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1043 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1044 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1045 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1046 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1047 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1048 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1049 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1050 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1051 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1052 # IMPORTANT NOTE! Not complete main chain atoms for residue F 1053 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1054 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1055 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1056 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1057 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1058 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1059 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1060 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1061 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1062 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1063 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1064 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1065 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 1066 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1067 # IMPORTANT NOTE! Not complete main chain atoms for residue R 1068 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1069 # IMPORTANT NOTE! Not complete main chain atoms for residue I 1070 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 1071 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1072 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1073 # IMPORTANT NOTE! Not complete main chain atoms for residue H 1074 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1075 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1076 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1077 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1078 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1079 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1080 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1081 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1082 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1083 # IMPORTANT NOTE! Not complete main chain atoms for residue N 1084 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1085 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1086 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1087 # IMPORTANT NOTE! Not complete main chain atoms for residue V 1088 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1089 # IMPORTANT NOTE! Not complete main chain atoms for residue G 1090 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1091 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1092 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1093 # IMPORTANT NOTE! Not complete main chain atoms for residue D 1094 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1095 # IMPORTANT NOTE! Not complete main chain atoms for residue T 1096 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1097 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1098 # IMPORTANT NOTE! Not complete main chain atoms for residue S 1099 # IMPORTANT NOTE! Not complete main chain atoms for residue N 1100 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1101 # IMPORTANT NOTE! Not complete main chain atoms for residue L 1102 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1103 # IMPORTANT NOTE! Not complete main chain atoms for residue E 1104 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1105 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1106 # IMPORTANT NOTE! Not complete main chain atoms for residue A 1107 # IMPORTANT NOTE! Not complete main chain atoms for residue K 1111 # IMPORTANT NOTE! Not complete main chain atoms for residue C 1112 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0134 # Total number of residues in target: 251 # Total number of residues in model: 233 # Total number of atoms in model: 233 # Number of atoms with 1.0 occupancy: 233 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 233 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0134 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1QTS_A ATOM 692 CA GLY 862 -3.348 -6.842 -7.165 1.00 1.00 ATOM 693 CA GLU 863 -6.754 -8.418 -6.515 1.00 1.00 ATOM 694 CA PRO 864 -9.451 -7.465 -9.026 1.00 1.00 ATOM 695 CA VAL 865 -12.664 -5.634 -8.153 1.00 1.00 ATOM 696 CA GLN 866 -13.541 -2.564 -6.117 1.00 1.00 ATOM 697 CA ASN 867 -11.193 -2.061 -3.176 1.00 1.00 ATOM 698 CA GLY 868 -13.545 -0.355 -0.726 1.00 1.00 ATOM 699 CA ALA 869 -14.229 -2.262 2.498 1.00 1.00 ATOM 700 CA PRO 870 -11.348 -4.530 1.464 1.00 1.00 ATOM 701 CA GLU 871 -8.386 -5.699 3.545 1.00 1.00 ATOM 702 CA GLU 872 -6.110 -3.075 1.989 1.00 1.00 ATOM 703 CA GLU 873 -8.141 0.125 1.685 1.00 1.00 ATOM 704 CA GLN 874 -5.481 2.264 3.370 1.00 1.00 ATOM 705 CA LEU 875 -2.396 0.051 3.091 1.00 1.00 ATOM 706 CA PRO 876 -0.583 2.355 0.665 1.00 1.00 ATOM 707 CA PRO 877 -0.827 5.336 3.021 1.00 1.00 ATOM 710 CA GLU 878 6.170 6.334 3.454 1.00 1.00 ATOM 711 CA SER 879 4.781 7.134 6.907 1.00 1.00 ATOM 712 CA SER 880 4.392 5.067 10.070 1.00 1.00 ATOM 713 CA TYR 881 1.550 6.725 11.975 1.00 1.00 ATOM 714 CA SER 882 -2.176 6.998 11.322 1.00 1.00 ATOM 715 CA LEU 883 -5.518 5.214 11.059 1.00 1.00 ATOM 716 CA LEU 884 -5.310 1.937 9.148 1.00 1.00 ATOM 717 CA ALA 885 -8.951 0.827 9.357 1.00 1.00 ATOM 718 CA GLU 886 -12.254 2.120 10.685 1.00 1.00 ATOM 719 CA ASN 887 -15.711 0.563 10.582 1.00 1.00 ATOM 720 CA SER 888 -18.716 1.586 12.712 1.00 1.00 ATOM 721 CA TYR 889 -17.521 -0.318 15.782 1.00 1.00 ATOM 722 CA VAL 890 -13.719 -0.270 15.685 1.00 1.00 ATOM 723 CA LYS 891 -10.867 2.026 14.723 1.00 1.00 ATOM 724 CA MET 892 -7.379 0.561 14.228 1.00 1.00 ATOM 725 CA THR 893 -4.477 3.013 14.464 1.00 1.00 ATOM 726 CA CYS 894 -0.743 2.425 14.080 1.00 1.00 ATOM 727 CA ASP 895 2.528 3.873 15.323 1.00 1.00 ATOM 728 CA ILE 896 5.772 2.209 14.223 1.00 1.00 ATOM 729 CA ARG 897 9.517 2.724 14.542 1.00 1.00 ATOM 730 CA GLY 898 12.301 0.817 12.761 1.00 1.00 ATOM 731 CA GLU 902 16.042 0.373 13.224 1.00 1.00 ATOM 732 CA ASP 903 18.442 -1.975 11.448 1.00 1.00 ATOM 733 CA SER 904 16.468 -5.100 10.487 1.00 1.00 ATOM 734 CA GLN 905 14.054 -4.585 13.371 1.00 1.00 ATOM 735 CA VAL 906 10.874 -2.700 14.164 1.00 1.00 ATOM 736 CA THR 907 8.248 -2.099 16.806 1.00 1.00 ATOM 737 CA VAL 908 4.645 -1.498 15.741 1.00 1.00 ATOM 738 CA ALA 909 2.015 -0.302 18.192 1.00 1.00 ATOM 739 CA ILE 910 -1.506 -1.278 17.119 1.00 1.00 ATOM 740 CA VAL 911 -4.318 0.684 18.748 1.00 1.00 ATOM 741 CA LEU 912 -7.829 -0.762 18.933 1.00 1.00 ATOM 742 CA GLU 913 -10.482 1.857 19.645 1.00 1.00 ATOM 743 CA ASN 914 -14.033 0.918 20.622 1.00 1.00 ATOM 744 CA ARG 915 -16.265 3.531 19.018 1.00 1.00 ATOM 745 CA SER 916 -19.414 2.384 20.816 1.00 1.00 ATOM 746 CA SER 917 -20.813 2.730 24.309 1.00 1.00 ATOM 747 CA SER 918 -20.771 -1.052 24.772 1.00 1.00 ATOM 748 CA ILE 919 -17.851 -3.262 25.877 1.00 1.00 ATOM 749 CA LEU 920 -16.345 -5.734 23.398 1.00 1.00 ATOM 750 CA LYS 921 -15.739 -9.302 24.632 1.00 1.00 ATOM 751 CA GLY 922 -13.271 -12.009 23.627 1.00 1.00 ATOM 752 CA MET 923 -11.327 -9.370 21.707 1.00 1.00 ATOM 755 CA GLU 924 -3.931 -12.419 15.585 1.00 1.00 ATOM 756 CA LEU 925 -1.096 -11.823 13.125 1.00 1.00 ATOM 757 CA SER 926 -0.836 -14.223 10.162 1.00 1.00 ATOM 758 CA VAL 927 2.098 -14.360 7.732 1.00 1.00 ATOM 759 CA LEU 928 1.238 -16.501 4.691 1.00 1.00 ATOM 760 CA ASP 929 3.715 -19.310 4.074 1.00 1.00 ATOM 761 CA SER 930 6.815 -17.784 2.459 1.00 1.00 ATOM 762 CA LEU 931 6.440 -14.607 4.495 1.00 1.00 ATOM 763 CA ASN 932 6.760 -16.351 7.859 1.00 1.00 ATOM 764 CA ALA 933 10.333 -17.375 7.031 1.00 1.00 ATOM 765 CA ARG 934 11.302 -13.881 5.858 1.00 1.00 ATOM 766 CA MET 935 9.593 -11.843 8.589 1.00 1.00 ATOM 767 CA ALA 936 9.408 -12.788 12.271 1.00 1.00 ATOM 768 CA ARG 937 6.640 -11.157 14.298 1.00 1.00 ATOM 769 CA VAL 949 6.330 -11.522 18.076 1.00 1.00 ATOM 770 CA PRO 950 3.575 -10.099 20.248 1.00 1.00 ATOM 771 CA PHE 951 1.765 -10.579 23.559 1.00 1.00 ATOM 772 CA GLN 952 -1.982 -11.155 23.892 1.00 1.00 ATOM 773 CA LEU 953 -4.275 -8.178 24.511 1.00 1.00 ATOM 774 CA PRO 954 -6.912 -8.164 27.280 1.00 1.00 ATOM 775 CA PRO 955 -10.032 -9.528 25.569 1.00 1.00 ATOM 776 CA GLY 956 -12.396 -7.011 27.207 1.00 1.00 ATOM 777 CA VAL 957 -12.494 -3.538 25.660 1.00 1.00 ATOM 778 CA SER 958 -14.729 -0.907 27.285 1.00 1.00 ATOM 779 CA ASN 959 -16.928 1.331 25.140 1.00 1.00 ATOM 780 CA GLU 960 -14.920 4.415 24.169 1.00 1.00 ATOM 781 CA ALA 961 -11.673 2.811 25.303 1.00 1.00 ATOM 782 CA GLN 962 -8.523 1.976 23.407 1.00 1.00 ATOM 783 CA TYR 963 -6.355 -1.108 23.866 1.00 1.00 ATOM 784 CA VAL 964 -2.807 -1.466 22.547 1.00 1.00 ATOM 785 CA PHE 965 -0.807 -4.364 21.157 1.00 1.00 ATOM 786 CA THR 966 2.971 -4.160 20.592 1.00 1.00 ATOM 787 CA ILE 967 4.416 -6.131 17.689 1.00 1.00 ATOM 788 CA GLN 968 8.175 -6.756 17.691 1.00 1.00 ATOM 789 CA SER 969 9.358 -7.178 14.107 1.00 1.00 ATOM 790 CA ILE 970 12.466 -8.892 12.756 1.00 1.00 ATOM 791 CA VAL 971 13.232 -8.961 9.035 1.00 1.00 ATOM 792 CA MET 972 15.036 -12.217 8.151 1.00 1.00 ATOM 793 CA ALA 973 15.316 -11.651 4.395 1.00 1.00 ATOM 794 CA GLN 974 13.650 -9.491 1.739 1.00 1.00 ATOM 795 CA LYS 975 9.927 -10.033 1.258 1.00 1.00 ATOM 796 CA LEU 976 6.958 -8.835 -0.788 1.00 1.00 ATOM 797 CA LYS 977 3.823 -10.062 0.963 1.00 1.00 ATOM 798 CA GLY 978 2.272 -8.358 3.978 1.00 1.00 ATOM 799 CA THR 979 1.106 -9.861 7.260 1.00 1.00 ATOM 800 CA LEU 980 -2.640 -10.087 7.872 1.00 1.00 ATOM 801 CA SER 981 -4.133 -8.806 11.127 1.00 1.00 ATOM 802 CA PHE 982 -7.272 -10.812 11.917 1.00 1.00 ATOM 803 CA ILE 983 -9.524 -9.443 14.669 1.00 1.00 ATOM 804 CA ALA 984 -12.399 -11.440 16.138 1.00 1.00 ATOM 805 CA LYS 985 -14.602 -10.160 18.949 1.00 1.00 ATOM 806 CA ASN 986 -18.128 -10.257 20.352 1.00 1.00 ATOM 807 CA ASP 987 -20.325 -7.146 20.299 1.00 1.00 ATOM 808 CA GLU 988 -23.890 -7.224 21.623 1.00 1.00 ATOM 809 CA GLY 989 -23.671 -11.014 21.479 1.00 1.00 ATOM 810 CA THR 991 -22.738 -11.088 17.783 1.00 1.00 ATOM 811 CA HIS 992 -19.588 -12.397 16.073 1.00 1.00 ATOM 812 CA GLU 993 -17.537 -9.561 14.604 1.00 1.00 ATOM 813 CA LYS 994 -14.636 -10.451 12.276 1.00 1.00 ATOM 814 CA LEU 995 -12.201 -8.073 10.574 1.00 1.00 ATOM 815 CA ASP 996 -9.105 -8.840 8.464 1.00 1.00 ATOM 816 CA PHE 997 -6.701 -6.115 7.309 1.00 1.00 ATOM 817 CA ARG 998 -3.246 -6.173 5.722 1.00 1.00 ATOM 818 CA LEU 999 -0.587 -4.740 8.052 1.00 1.00 ATOM 819 CA HIS 1000 1.806 -2.246 6.414 1.00 1.00 ATOM 820 CA PHE 1001 5.158 -3.828 7.170 1.00 1.00 ATOM 821 CA SER 1002 7.028 -3.329 3.882 1.00 1.00 ATOM 822 CA CYS 1003 10.616 -3.899 2.808 1.00 1.00 ATOM 823 CA SER 1004 11.551 -0.218 2.722 1.00 1.00 ATOM 824 CA SER 1005 10.927 0.073 6.470 1.00 1.00 ATOM 825 CA TYR 1006 14.331 -1.554 6.965 1.00 1.00 ATOM 826 CA LEU 1007 16.297 1.169 5.238 1.00 1.00 ATOM 827 CA ILE 1008 19.418 2.847 6.564 1.00 1.00 ATOM 828 CA THR 1009 19.794 6.110 4.605 1.00 1.00 ATOM 829 CA THR 1010 23.336 6.520 3.230 1.00 1.00 ATOM 830 CA PRO 1011 24.542 10.039 2.512 1.00 1.00 ATOM 831 CA CYS 1012 27.505 10.135 0.131 1.00 1.00 ATOM 832 CA TYR 1013 29.539 12.346 -2.164 1.00 1.00 ATOM 833 CA SER 1014 28.308 12.742 -5.741 1.00 1.00 ATOM 834 CA ASP 1015 31.423 10.997 -7.073 1.00 1.00 ATOM 835 CA ALA 1016 30.811 8.076 -4.727 1.00 1.00 ATOM 836 CA PHE 1017 27.223 7.671 -5.943 1.00 1.00 ATOM 837 CA ALA 1018 28.361 7.516 -9.579 1.00 1.00 ATOM 838 CA LYS 1019 31.055 4.955 -8.802 1.00 1.00 ATOM 839 CA LEU 1020 28.473 2.751 -7.091 1.00 1.00 ATOM 840 CA LEU 1021 25.841 3.215 -9.789 1.00 1.00 ATOM 841 CA GLU 1022 28.348 1.959 -12.365 1.00 1.00 ATOM 842 CA SER 1023 29.189 -1.165 -10.394 1.00 1.00 ATOM 843 CA GLY 1024 25.959 -2.920 -11.415 1.00 1.00 ATOM 844 CA ASP 1025 26.678 -5.835 -13.760 1.00 1.00 ATOM 845 CA LEU 1026 23.707 -8.175 -13.318 1.00 1.00 ATOM 846 CA SER 1027 20.900 -6.869 -15.539 1.00 1.00 ATOM 847 CA MET 1028 18.301 -8.344 -13.173 1.00 1.00 ATOM 848 CA SER 1029 19.499 -5.927 -10.491 1.00 1.00 ATOM 852 CA SER 1030 9.256 1.742 -14.379 1.00 1.00 ATOM 853 CA ILE 1031 7.863 4.517 -16.581 1.00 1.00 ATOM 854 CA LYS 1032 4.418 5.324 -15.165 1.00 1.00 ATOM 855 CA VAL 1033 1.663 7.920 -15.031 1.00 1.00 ATOM 856 CA ASP 1034 1.472 10.180 -11.996 1.00 1.00 ATOM 857 CA GLY 1035 -1.448 9.278 -9.736 1.00 1.00 ATOM 858 CA ILE 1036 -1.105 12.462 -7.672 1.00 1.00 ATOM 859 CA ARG 1037 -0.228 16.065 -8.529 1.00 1.00 ATOM 860 CA MET 1038 3.520 16.302 -9.075 1.00 1.00 ATOM 861 CA SER 1039 4.303 18.621 -6.168 1.00 1.00 ATOM 862 CA PHE 1040 8.015 18.982 -5.418 1.00 1.00 ATOM 863 CA GLN 1041 7.865 19.253 -1.623 1.00 1.00 ATOM 864 CA ASN 1042 5.457 16.330 -1.334 1.00 1.00 ATOM 865 CA LEU 1043 7.752 14.295 -3.590 1.00 1.00 ATOM 866 CA LEU 1044 10.798 15.033 -1.435 1.00 1.00 ATOM 867 CA ALA 1045 8.853 14.131 1.710 1.00 1.00 ATOM 868 CA LYS 1046 7.713 10.853 0.141 1.00 1.00 ATOM 869 CA ILE 1047 11.269 9.857 -0.812 1.00 1.00 ATOM 870 CA CYS 1048 12.537 10.686 2.672 1.00 1.00 ATOM 871 CA PHE 1049 9.619 8.828 4.262 1.00 1.00 ATOM 872 CA HIS 1050 10.309 5.820 2.004 1.00 1.00 ATOM 873 CA HIS 1051 13.602 5.589 3.850 1.00 1.00 ATOM 874 CA HIS 1052 16.628 6.221 1.640 1.00 1.00 ATOM 875 CA PHE 1053 18.815 9.305 1.865 1.00 1.00 ATOM 876 CA SER 1054 17.758 12.057 -0.568 1.00 1.00 ATOM 877 CA VAL 1055 20.916 13.132 -2.382 1.00 1.00 ATOM 878 CA VAL 1056 21.153 16.637 -3.799 1.00 1.00 ATOM 879 CA GLU 1057 23.735 17.664 -6.398 1.00 1.00 ATOM 880 CA ARG 1058 24.093 14.209 -7.982 1.00 1.00 ATOM 881 CA VAL 1059 21.859 14.252 -11.076 1.00 1.00 ATOM 882 CA ASP 1060 22.889 17.367 -13.032 1.00 1.00 ATOM 883 CA SER 1061 19.211 18.166 -13.656 1.00 1.00 ATOM 884 CA CYS 1062 18.087 19.690 -10.356 1.00 1.00 ATOM 885 CA ALA 1063 14.473 18.684 -10.954 1.00 1.00 ATOM 886 CA SER 1064 15.339 14.973 -10.707 1.00 1.00 ATOM 887 CA MET 1065 15.661 13.034 -7.456 1.00 1.00 ATOM 888 CA TYR 1066 18.370 10.607 -6.362 1.00 1.00 ATOM 889 CA SER 1067 18.311 8.283 -3.342 1.00 1.00 ATOM 890 CA ARG 1068 20.678 5.823 -1.673 1.00 1.00 ATOM 891 CA SER 1069 20.433 3.464 1.294 1.00 1.00 ATOM 892 CA ILE 1070 20.991 -0.043 2.610 1.00 1.00 ATOM 897 CA GLN 1071 20.884 -12.646 6.476 1.00 1.00 ATOM 898 CA GLY 1072 21.905 -10.005 3.923 1.00 1.00 ATOM 899 CA HIS 1073 22.450 -6.232 3.686 1.00 1.00 ATOM 900 CA HIS 1074 21.369 -4.858 0.304 1.00 1.00 ATOM 901 CA VAL 1075 22.883 -1.667 -1.126 1.00 1.00 ATOM 902 CA CYS 1076 20.256 0.352 -3.007 1.00 1.00 ATOM 903 CA LEU 1077 20.399 3.298 -5.400 1.00 1.00 ATOM 904 CA LEU 1078 17.427 5.063 -6.983 1.00 1.00 ATOM 905 CA VAL 1079 16.702 7.776 -9.528 1.00 1.00 ATOM 906 CA LYS 1080 13.297 9.439 -9.994 1.00 1.00 ATOM 907 CA LYS 1081 12.890 11.612 -13.094 1.00 1.00 ATOM 908 CA GLY 1082 9.619 13.571 -13.293 1.00 1.00 ATOM 912 CA GLU 1083 3.664 14.274 -19.768 1.00 1.00 ATOM 913 CA ASN 1084 2.535 13.793 -16.144 1.00 1.00 ATOM 914 CA SER 1085 4.795 10.764 -15.920 1.00 1.00 ATOM 915 CA VAL 1086 7.803 9.510 -14.004 1.00 1.00 ATOM 916 CA SER 1087 10.775 7.314 -14.834 1.00 1.00 ATOM 917 CA VAL 1088 11.925 5.444 -11.710 1.00 1.00 ATOM 918 CA ASP 1089 15.109 3.383 -11.746 1.00 1.00 ATOM 919 CA GLY 1090 16.249 1.067 -8.957 1.00 1.00 ATOM 920 CA LYS 1091 19.755 -0.425 -8.930 1.00 1.00 ATOM 921 CA CYS 1092 20.470 -2.679 -5.933 1.00 1.00 ATOM 922 CA SER 1093 22.659 -5.643 -5.008 1.00 1.00 ATOM 923 CA ASP 1094 19.700 -8.035 -5.109 1.00 1.00 ATOM 924 CA SER 1095 17.225 -8.478 -7.970 1.00 1.00 ATOM 925 CA THR 1096 14.197 -9.184 -5.793 1.00 1.00 ATOM 926 CA LEU 1097 14.894 -6.038 -3.754 1.00 1.00 ATOM 927 CA LEU 1098 15.149 -3.869 -6.872 1.00 1.00 ATOM 928 CA SER 1099 11.787 -5.265 -7.946 1.00 1.00 ATOM 929 CA ASN 1100 9.949 -4.855 -4.625 1.00 1.00 ATOM 930 CA LEU 1101 11.289 -1.356 -3.966 1.00 1.00 ATOM 931 CA LEU 1102 10.370 -0.270 -7.483 1.00 1.00 ATOM 932 CA GLU 1103 6.833 -1.609 -7.028 1.00 1.00 ATOM 933 CA GLU 1104 6.350 0.078 -3.669 1.00 1.00 ATOM 934 CA MET 1105 7.768 3.470 -4.619 1.00 1.00 ATOM 935 CA LYS 1106 5.921 3.606 -7.949 1.00 1.00 ATOM 936 CA ALA 1107 2.557 3.354 -6.199 1.00 1.00 ATOM 937 CA LYS 1111 3.279 6.499 -4.207 1.00 1.00 ATOM 938 CA CYS 1112 3.432 9.028 -7.056 1.00 1.00 TER END ################################ # # # END # # # ################################