From mailer@bialko.llnl.gov Mon Jun 24 08:38:18 2002 Date: Mon, 24 Jun 2002 08:38:12 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Mon Jun 24 08:11:31 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_226400_10850 # (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 T0137 AUTHOR 2491-6940-1261 # Reading MODEL 1 A T 0.471 # ERROR! Check the line NB = 3 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0137 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 T0137.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 93 METHOD MODEL 1 M C 0.998 E C 0.826 A T 0.471 F T 0.343 L C 0.526 G E 0.613 T E 0.805 W E 0.896 K E 0.950 M E 0.920 E E 0.821 K E 0.709 S E 0.460 E E 0.381 G C 0.383 F H 0.850 D H 0.973 K H 0.987 I H 0.992 M H 0.993 E H 0.978 R H 0.891 L T 0.805 G T 0.971 V C 0.843 D C 0.925 F H 0.942 V H 0.980 T H 0.990 R H 0.993 K H 0.992 M H 0.980 G H 0.947 N H 0.742 L H 0.481 V C 0.328 K C 0.668 P C 0.690 N E 0.629 L E 0.975 I E 0.991 V E 0.982 T E 0.920 D E 0.654 L C 0.263 G T 0.513 G T 0.617 G T 0.372 K E 0.756 Y E 0.940 K E 0.981 M E 0.971 R E 0.945 S E 0.822 E E 0.589 S E 0.339 T S 0.369 F S 0.340 K E 0.490 T E 0.640 T E 0.890 E E 0.948 C E 0.960 S E 0.938 F E 0.920 K E 0.841 L E 0.620 G S 0.318 E S 0.410 K E 0.473 F E 0.590 K E 0.655 E E 0.672 V E 0.740 T E 0.442 P T 0.436 D T 0.788 S S 0.486 R C 0.509 E E 0.770 V E 0.918 A E 0.948 S E 0.952 L E 0.976 I E 0.987 T E 0.957 V E 0.806 E T 0.530 N T 0.856 G T 0.883 V E 0.824 M E 0.983 K E 0.987 H E 0.983 E E 0.976 Q E 0.962 D E 0.790 D E 0.486 K T 0.435 T S 0.462 K S 0.357 V E 0.690 T E 0.897 Y E 0.951 I E 0.963 E E 0.981 R E 0.982 V E 0.986 V E 0.955 E E 0.652 G T 0.815 N T 0.747 E E 0.790 L E 0.974 K E 0.988 A E 0.996 T E 0.995 V E 0.992 K E 0.970 V E 0.903 D T 0.843 E T 0.875 V E 0.890 V E 0.975 C E 0.974 V E 0.965 R E 0.879 T E 0.868 Y E 0.880 S E 0.856 K E 0.612 V C 0.705 A C 0.999 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Mon Jun 24 08:38:28 2002 Date: Mon, 24 Jun 2002 08:38:22 -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 Mon Jun 24 08:11:45 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_227801_10851 # (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 T0137 AUTHOR 5144-8387-2760 # Reading MODEL 1 E T 0.420 # ERROR! Check the line NB = 14 in the MODEL section. # Check the SS format description. # Number of Warnings: 0 # Number of Errors: 1 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0137 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 T0137.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 93 METHOD MODEL 1 M C 0.743 E C 0.559 A C 0.461 F E 0.399 L E 0.547 G E 0.915 T E 0.974 W E 0.977 K E 0.970 M E 0.908 E E 0.751 K E 0.512 S C 0.376 E T 0.420 G C 0.562 F H 0.918 D H 0.964 K H 0.979 I H 0.985 M H 0.987 E H 0.978 R H 0.970 L H 0.904 G C 0.968 V C 0.966 D C 0.967 F H 0.970 V H 0.984 T H 0.981 R H 0.987 K H 0.981 M H 0.979 G H 0.953 N H 0.919 L H 0.756 V H 0.372 K C 0.461 P T 0.459 N E 0.461 L E 0.930 I E 0.964 V E 0.973 T E 0.955 D E 0.584 L T 0.817 G T 0.863 G T 0.900 G C 0.453 K E 0.886 Y E 0.956 K E 0.975 M E 0.986 R E 0.977 S E 0.949 E E 0.796 S E 0.600 T E 0.477 F E 0.504 K E 0.499 T E 0.534 T E 0.855 E E 0.922 C E 0.941 S E 0.954 F E 0.933 K E 0.866 L E 0.630 G C 0.338 E E 0.569 K E 0.646 F E 0.668 K E 0.793 E E 0.790 V E 0.863 T E 0.510 P T 0.822 D T 0.970 S T 0.951 R E 0.626 E E 0.900 V E 0.915 A E 0.949 S E 0.963 L E 0.983 I E 0.987 T E 0.982 V E 0.824 E T 0.755 N T 0.962 G T 0.899 V E 0.780 M E 0.983 K E 0.988 H E 0.996 E E 0.989 Q E 0.978 D E 0.796 D T 0.668 K T 0.762 T T 0.766 K T 0.428 V E 0.585 T E 0.901 Y E 0.925 I E 0.954 E E 0.966 R E 0.973 V E 0.957 V E 0.925 E E 0.716 G T 0.860 N T 0.741 E E 0.905 L E 0.981 K E 0.988 A E 0.993 T E 0.987 V E 0.969 K E 0.914 V E 0.664 D T 0.815 E T 0.669 V E 0.907 V E 0.969 C E 0.983 V E 0.990 R E 0.971 T E 0.920 Y E 0.770 S E 0.724 K E 0.620 V C 0.619 A C 0.957 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Jul 16 19:02:28 2002 Date: Tue, 16 Jul 2002 19:02:23 -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 18:35:15 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_467442_12193 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0137SS389_1 Current information on models submitted in prediction T0137SS389 MODEL_INDEX PIN CODE DATE E-mail T0137SS389_1 PIN_467442_12193 1549-8716-6404 07/16/02 18:35:15 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 T0137 MODEL_INDEX PIN CODE DATE E-mail T0137SS389_1 PIN_467442_12193 1549-8716-6404 07/16/02 18:35:15 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 T0137 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: 133 # Number of residues with nonzero confidence: 133 # Number of METHOD records: 46 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0137 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD preds/T0137.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD preds/T0137.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/T0137.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0137 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 T0137.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 111 METHOD METHOD ============================================ METHOD Comments from preds/T0137.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0137 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 T0137.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 111 METHOD METHOD ============================================ MODEL 1 M C 0.96 E C 0.87 A C 0.83 F C 0.65 L C 0.53 G E 0.73 T E 0.85 W E 0.91 K E 0.94 M E 0.91 E E 0.80 K E 0.66 S C 0.56 E C 0.65 G C 0.68 F H 0.87 D H 0.94 K H 0.96 I H 0.96 M H 0.96 E H 0.95 R H 0.91 L C 0.52 G C 0.98 V C 0.97 D C 0.97 F H 0.94 V H 0.96 T H 0.97 R H 0.97 K H 0.96 M H 0.96 G H 0.94 N H 0.84 L H 0.61 V C 0.70 K C 0.89 P C 0.86 N E 0.57 L E 0.94 I E 0.96 V E 0.96 T E 0.92 D E 0.61 L C 0.79 G C 0.89 G C 0.91 G C 0.82 K E 0.80 Y E 0.93 K E 0.96 M E 0.96 R E 0.94 S E 0.86 E E 0.66 S C 0.56 T C 0.69 F C 0.64 K C 0.50 T E 0.58 T E 0.86 E E 0.92 C E 0.93 S E 0.92 F E 0.90 K E 0.81 L E 0.56 G C 0.73 E C 0.60 K E 0.55 F E 0.64 K E 0.71 E E 0.69 V E 0.81 T E 0.50 P C 0.78 D C 0.94 S C 0.94 R C 0.62 E E 0.84 V E 0.90 A E 0.93 S E 0.94 L E 0.96 I E 0.97 T E 0.94 V E 0.79 E C 0.73 N C 0.96 G C 0.93 V E 0.80 M E 0.97 K E 0.97 H E 0.97 E E 0.96 Q E 0.95 D E 0.78 D C 0.62 K C 0.85 T C 0.89 K C 0.72 V E 0.66 T E 0.89 Y E 0.93 I E 0.94 E E 0.96 R E 0.96 V E 0.95 V E 0.93 E E 0.66 G C 0.92 N C 0.87 E E 0.83 L E 0.96 K E 0.97 A E 0.97 T E 0.97 V E 0.96 K E 0.93 V E 0.78 D C 0.90 E C 0.86 V E 0.88 V E 0.96 C E 0.96 V E 0.96 R E 0.90 T E 0.88 Y E 0.83 S E 0.79 K E 0.65 V C 0.72 A C 0.98 END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 17:23:29 2002 Date: Wed, 24 Jul 2002 17:23:23 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0137 TS samt02.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jul 24 16:56:03 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_683731_14080 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0137TS189_1 Current information on models submitted in prediction T0137TS189 MODEL_INDEX PIN CODE DATE E-mail T0137TS189_1 PIN_683731_14080 5035-2079-5263 07/24/02 16:56:03 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0137 MODEL_INDEX PIN CODE DATE E-mail T0137TS189_1 PIN_683731_14080 5035-2079-5263 07/24/02 16:56:03 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0137 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1HMT # Loading PARENT structure: 1hmt (chain: ) # Number of residues in PARENT structure: 131 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue M 1 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue E 2 # IMPORTANT NOTE! Not complete main chain atoms for residue A 3 # IMPORTANT NOTE! Not complete main chain atoms for residue F 4 # IMPORTANT NOTE! Not complete main chain atoms for residue L 5 # IMPORTANT NOTE! Not complete main chain atoms for residue G 6 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue W 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue M 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue K 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue E 14 # IMPORTANT NOTE! Not complete main chain atoms for residue G 15 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue D 17 # IMPORTANT NOTE! Not complete main chain atoms for residue K 18 # IMPORTANT NOTE! Not complete main chain atoms for residue I 19 # IMPORTANT NOTE! Not complete main chain atoms for residue M 20 # IMPORTANT NOTE! Not complete main chain atoms for residue E 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue L 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue V 25 # IMPORTANT NOTE! Not complete main chain atoms for residue D 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue K 31 # IMPORTANT NOTE! Not complete main chain atoms for residue M 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue L 35 # IMPORTANT NOTE! Not complete main chain atoms for residue V 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue N 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue I 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue G 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue M 52 # IMPORTANT NOTE! Not complete main chain atoms for residue R 53 # IMPORTANT NOTE! Not complete main chain atoms for residue S 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue F 58 # IMPORTANT NOTE! Not complete main chain atoms for residue K 59 # IMPORTANT NOTE! Not complete main chain atoms for residue T 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue C 63 # IMPORTANT NOTE! Not complete main chain atoms for residue S 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue K 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue G 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue K 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue V 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue P 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue E 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue S 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue T 86 # IMPORTANT NOTE! Not complete main chain atoms for residue V 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue N 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue M 92 # IMPORTANT NOTE! Not complete main chain atoms for residue K 93 # IMPORTANT NOTE! Not complete main chain atoms for residue H 94 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue V 102 # IMPORTANT NOTE! Not complete main chain atoms for residue T 103 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue V 108 # IMPORTANT NOTE! Not complete main chain atoms for residue V 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue N 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue V 120 # IMPORTANT NOTE! Not complete main chain atoms for residue D 121 # IMPORTANT NOTE! Not complete main chain atoms for residue E 122 # IMPORTANT NOTE! Not complete main chain atoms for residue V 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue C 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue R 127 # IMPORTANT NOTE! Not complete main chain atoms for residue T 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0137 # Total number of residues in target: 133 # Total number of residues in model: 131 # Total number of atoms in model: 131 # Number of atoms with 1.0 occupancy: 131 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 131 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0137 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1HMT ATOM 1 CA MET 1 21.210 39.592 34.954 1.00 1.00 ATOM 2 CA GLU 2 17.647 39.561 33.700 1.00 1.00 ATOM 3 CA ALA 3 16.829 35.927 34.367 1.00 1.00 ATOM 4 CA PHE 4 17.422 36.427 38.087 1.00 1.00 ATOM 5 CA LEU 5 14.829 39.188 38.410 1.00 1.00 ATOM 6 CA GLY 6 11.588 38.482 40.201 1.00 1.00 ATOM 7 CA THR 7 10.158 37.031 43.416 1.00 1.00 ATOM 8 CA TRP 8 11.526 33.723 44.723 1.00 1.00 ATOM 9 CA LYS 9 10.464 31.563 47.659 1.00 1.00 ATOM 10 CA MET 10 12.580 29.056 49.582 1.00 1.00 ATOM 11 CA GLU 11 11.586 25.436 48.996 1.00 1.00 ATOM 12 CA LYS 12 14.622 23.459 50.238 1.00 1.00 ATOM 13 CA SER 13 17.646 23.960 52.485 1.00 1.00 ATOM 14 CA GLU 14 20.666 21.764 53.257 1.00 1.00 ATOM 15 CA GLY 15 23.271 22.429 55.928 1.00 1.00 ATOM 16 CA PHE 16 22.215 25.963 56.838 1.00 1.00 ATOM 17 CA ASP 17 22.898 25.182 60.477 1.00 1.00 ATOM 18 CA LYS 18 26.523 24.349 59.708 1.00 1.00 ATOM 19 CA ILE 19 26.876 27.584 57.826 1.00 1.00 ATOM 20 CA MET 20 25.394 29.681 60.639 1.00 1.00 ATOM 21 CA GLU 21 27.489 27.855 63.270 1.00 1.00 ATOM 22 CA ARG 22 30.646 28.648 61.289 1.00 1.00 ATOM 23 CA LEU 23 29.738 32.346 61.272 1.00 1.00 ATOM 24 CA GLY 24 29.236 32.330 65.056 1.00 1.00 ATOM 25 CA VAL 25 25.450 32.611 65.054 1.00 1.00 ATOM 26 CA ASP 26 23.975 31.667 68.416 1.00 1.00 ATOM 27 CA PHE 27 21.805 28.635 68.996 1.00 1.00 ATOM 28 CA VAL 28 18.531 30.518 69.531 1.00 1.00 ATOM 29 CA THR 29 18.828 32.383 66.264 1.00 1.00 ATOM 30 CA ARG 30 19.732 29.138 64.519 1.00 1.00 ATOM 31 CA LYS 31 16.549 27.571 65.871 1.00 1.00 ATOM 32 CA MET 32 14.302 30.229 64.365 1.00 1.00 ATOM 33 CA GLY 33 16.248 30.383 61.126 1.00 1.00 ATOM 34 CA ASN 34 15.873 26.678 60.571 1.00 1.00 ATOM 35 CA LEU 35 12.098 27.065 60.374 1.00 1.00 ATOM 36 CA VAL 36 11.944 30.292 58.394 1.00 1.00 ATOM 37 CA LYS 37 11.180 30.293 54.647 1.00 1.00 ATOM 38 CA PRO 38 12.214 33.630 53.197 1.00 1.00 ATOM 39 CA ASN 39 11.102 35.413 50.081 1.00 1.00 ATOM 40 CA LEU 40 13.817 37.014 47.954 1.00 1.00 ATOM 41 CA ILE 41 12.981 39.805 45.545 1.00 1.00 ATOM 42 CA VAL 42 15.488 40.918 42.947 1.00 1.00 ATOM 43 CA THR 43 14.781 44.066 40.977 1.00 1.00 ATOM 44 CA LEU 45 16.738 46.355 38.662 1.00 1.00 ATOM 45 CA GLY 46 16.609 50.057 37.836 1.00 1.00 ATOM 46 CA GLY 47 19.248 50.746 35.261 1.00 1.00 ATOM 47 CA GLY 48 22.567 49.621 36.585 1.00 1.00 ATOM 48 CA LYS 49 21.351 49.423 40.170 1.00 1.00 ATOM 49 CA TYR 50 20.189 46.079 41.572 1.00 1.00 ATOM 50 CA LYS 51 18.083 45.767 44.703 1.00 1.00 ATOM 51 CA MET 52 17.949 42.487 46.608 1.00 1.00 ATOM 52 CA ARG 53 15.303 42.220 49.320 1.00 1.00 ATOM 53 CA SER 54 15.039 39.183 51.638 1.00 1.00 ATOM 54 CA GLU 55 11.796 39.110 53.643 1.00 1.00 ATOM 55 CA SER 56 10.674 36.774 56.393 1.00 1.00 ATOM 56 CA THR 57 8.730 36.616 59.648 1.00 1.00 ATOM 57 CA PHE 58 12.022 36.784 61.542 1.00 1.00 ATOM 58 CA LYS 59 14.312 39.369 59.897 1.00 1.00 ATOM 59 CA THR 60 14.241 41.428 56.704 1.00 1.00 ATOM 60 CA THR 61 17.216 42.841 54.748 1.00 1.00 ATOM 61 CA GLU 62 17.585 45.069 51.706 1.00 1.00 ATOM 62 CA CYS 63 20.695 46.024 49.759 1.00 1.00 ATOM 63 CA SER 64 21.171 48.021 46.576 1.00 1.00 ATOM 64 CA PHE 65 24.396 47.891 44.566 1.00 1.00 ATOM 65 CA LYS 66 26.036 48.192 41.183 1.00 1.00 ATOM 66 CA LEU 67 27.792 45.115 39.805 1.00 1.00 ATOM 67 CA GLY 68 31.563 45.236 40.321 1.00 1.00 ATOM 68 CA GLU 69 31.557 48.152 42.786 1.00 1.00 ATOM 69 CA LYS 70 32.322 47.571 46.476 1.00 1.00 ATOM 70 CA PHE 71 29.700 48.553 49.033 1.00 1.00 ATOM 71 CA LYS 72 29.293 48.442 52.829 1.00 1.00 ATOM 72 CA GLU 73 26.709 45.940 54.033 1.00 1.00 ATOM 73 CA VAL 74 25.298 44.978 57.440 1.00 1.00 ATOM 74 CA THR 75 24.159 41.369 57.262 1.00 1.00 ATOM 75 CA PRO 76 21.189 39.690 58.947 1.00 1.00 ATOM 76 CA ASP 77 23.498 38.387 61.658 1.00 1.00 ATOM 77 CA SER 78 24.894 41.847 62.245 1.00 1.00 ATOM 78 CA ARG 79 28.311 41.545 60.620 1.00 1.00 ATOM 79 CA GLU 80 29.668 44.735 59.050 1.00 1.00 ATOM 80 CA VAL 81 31.236 43.647 55.818 1.00 1.00 ATOM 81 CA ALA 82 32.733 44.937 52.549 1.00 1.00 ATOM 82 CA SER 83 30.834 43.363 49.671 1.00 1.00 ATOM 83 CA LEU 84 31.063 43.061 45.923 1.00 1.00 ATOM 84 CA ILE 85 28.662 41.311 43.508 1.00 1.00 ATOM 85 CA THR 86 29.733 40.283 40.017 1.00 1.00 ATOM 86 CA VAL 87 28.477 38.085 37.170 1.00 1.00 ATOM 87 CA GLU 88 30.827 35.150 36.575 1.00 1.00 ATOM 88 CA ASN 89 29.912 32.318 34.223 1.00 1.00 ATOM 89 CA GLY 90 26.296 33.396 34.390 1.00 1.00 ATOM 90 CA VAL 91 26.274 33.148 38.188 1.00 1.00 ATOM 91 CA MET 92 25.677 36.051 40.509 1.00 1.00 ATOM 92 CA LYS 93 28.592 35.933 42.953 1.00 1.00 ATOM 93 CA HIS 94 28.387 37.928 46.189 1.00 1.00 ATOM 94 CA GLU 95 31.649 38.151 48.149 1.00 1.00 ATOM 95 CA GLN 96 31.666 39.477 51.746 1.00 1.00 ATOM 96 CA ASP 97 34.920 40.378 53.526 1.00 1.00 ATOM 97 CA ASP 98 35.399 41.275 57.204 1.00 1.00 ATOM 98 CA LYS 99 38.208 40.888 59.727 1.00 1.00 ATOM 99 CA THR 100 40.330 38.975 57.244 1.00 1.00 ATOM 100 CA LYS 101 37.601 36.420 56.677 1.00 1.00 ATOM 101 CA VAL 102 35.435 35.869 53.600 1.00 1.00 ATOM 102 CA THR 103 32.195 34.193 52.665 1.00 1.00 ATOM 103 CA TYR 104 30.594 33.661 49.275 1.00 1.00 ATOM 104 CA ILE 105 26.915 33.661 48.330 1.00 1.00 ATOM 105 CA GLU 106 26.590 32.284 44.797 1.00 1.00 ATOM 106 CA ARG 107 23.328 32.215 42.892 1.00 1.00 ATOM 107 CA VAL 108 22.797 30.125 39.793 1.00 1.00 ATOM 108 CA VAL 109 19.730 29.219 37.762 1.00 1.00 ATOM 109 CA GLU 110 19.391 25.495 37.030 1.00 1.00 ATOM 110 CA GLY 111 16.181 24.168 35.475 1.00 1.00 ATOM 111 CA ASN 112 14.285 27.350 36.292 1.00 1.00 ATOM 112 CA GLU 113 15.124 27.215 39.988 1.00 1.00 ATOM 113 CA LEU 114 17.476 29.612 41.782 1.00 1.00 ATOM 114 CA LYS 115 20.201 27.746 43.678 1.00 1.00 ATOM 115 CA ALA 116 21.994 29.698 46.406 1.00 1.00 ATOM 116 CA THR 117 25.246 28.218 47.660 1.00 1.00 ATOM 117 CA VAL 118 26.781 29.680 50.822 1.00 1.00 ATOM 118 CA LYS 119 30.384 28.859 51.748 1.00 1.00 ATOM 119 CA VAL 120 32.363 29.884 54.845 1.00 1.00 ATOM 120 CA ASP 121 35.326 27.937 56.202 1.00 1.00 ATOM 121 CA GLU 122 34.548 24.297 55.435 1.00 1.00 ATOM 122 CA VAL 123 30.771 24.756 55.675 1.00 1.00 ATOM 123 CA VAL 124 28.746 24.611 52.479 1.00 1.00 ATOM 124 CA CYS 125 24.985 25.189 52.445 1.00 1.00 ATOM 125 CA VAL 126 22.641 24.871 49.476 1.00 1.00 ATOM 126 CA ARG 127 19.314 26.655 49.403 1.00 1.00 ATOM 127 CA THR 128 16.792 26.211 46.627 1.00 1.00 ATOM 128 CA TYR 129 14.306 28.917 45.612 1.00 1.00 ATOM 129 CA SER 130 11.363 28.677 43.218 1.00 1.00 ATOM 130 CA LYS 131 9.878 31.535 41.230 1.00 1.00 ATOM 131 CA VAL 132 6.598 33.107 42.400 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Wed Jul 24 17:30:40 2002 Date: Wed, 24 Jul 2002 17:30:34 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu Subject: T0137 TS samt02.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBPass: NoBounce X-SBClass: OK # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Jul 24 17:03:12 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_154525_14107 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0137TS189_2 Current information on models submitted in prediction T0137TS189 MODEL_INDEX PIN CODE DATE E-mail T0137TS189_2 PIN_154525_14107 5035-2079-5263 07/24/02 17:03:12 casp5@bialko.llnl.gov T0137TS189_1 PIN_683731_14080 5035-2079-5263 07/24/02 16:56:03 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0137 MODEL_INDEX PIN CODE DATE E-mail T0137TS189_1 PIN_683731_14080 5035-2079-5263 07/24/02 16:56:03 casp5@bialko.llnl.gov T0137TS189_2 PIN_154525_14107 5035-2079-5263 07/24/02 17:03:12 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 T0137 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1IFC # Loading PARENT structure: 1ifc (chain: ) # Number of residues in PARENT structure: 131 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue A 3 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # 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 F 4 # IMPORTANT NOTE! Not complete main chain atoms for residue L 5 # IMPORTANT NOTE! Not complete main chain atoms for residue G 6 # IMPORTANT NOTE! Not complete main chain atoms for residue T 7 # IMPORTANT NOTE! Not complete main chain atoms for residue W 8 # IMPORTANT NOTE! Not complete main chain atoms for residue K 9 # IMPORTANT NOTE! Not complete main chain atoms for residue M 10 # IMPORTANT NOTE! Not complete main chain atoms for residue E 11 # IMPORTANT NOTE! Not complete main chain atoms for residue K 12 # IMPORTANT NOTE! Not complete main chain atoms for residue S 13 # IMPORTANT NOTE! Not complete main chain atoms for residue E 14 # IMPORTANT NOTE! Not complete main chain atoms for residue G 15 # IMPORTANT NOTE! Not complete main chain atoms for residue F 16 # IMPORTANT NOTE! Not complete main chain atoms for residue D 17 # IMPORTANT NOTE! Not complete main chain atoms for residue K 18 # IMPORTANT NOTE! Not complete main chain atoms for residue I 19 # IMPORTANT NOTE! Not complete main chain atoms for residue M 20 # IMPORTANT NOTE! Not complete main chain atoms for residue E 21 # IMPORTANT NOTE! Not complete main chain atoms for residue R 22 # IMPORTANT NOTE! Not complete main chain atoms for residue L 23 # IMPORTANT NOTE! Not complete main chain atoms for residue G 24 # IMPORTANT NOTE! Not complete main chain atoms for residue V 25 # IMPORTANT NOTE! Not complete main chain atoms for residue D 26 # IMPORTANT NOTE! Not complete main chain atoms for residue F 27 # IMPORTANT NOTE! Not complete main chain atoms for residue V 28 # IMPORTANT NOTE! Not complete main chain atoms for residue T 29 # IMPORTANT NOTE! Not complete main chain atoms for residue R 30 # IMPORTANT NOTE! Not complete main chain atoms for residue K 31 # IMPORTANT NOTE! Not complete main chain atoms for residue M 32 # IMPORTANT NOTE! Not complete main chain atoms for residue G 33 # IMPORTANT NOTE! Not complete main chain atoms for residue N 34 # IMPORTANT NOTE! Not complete main chain atoms for residue L 35 # IMPORTANT NOTE! Not complete main chain atoms for residue V 36 # IMPORTANT NOTE! Not complete main chain atoms for residue K 37 # IMPORTANT NOTE! Not complete main chain atoms for residue P 38 # IMPORTANT NOTE! Not complete main chain atoms for residue N 39 # IMPORTANT NOTE! Not complete main chain atoms for residue L 40 # IMPORTANT NOTE! Not complete main chain atoms for residue I 41 # IMPORTANT NOTE! Not complete main chain atoms for residue V 42 # IMPORTANT NOTE! Not complete main chain atoms for residue T 43 # IMPORTANT NOTE! Not complete main chain atoms for residue L 45 # IMPORTANT NOTE! Not complete main chain atoms for residue G 46 # IMPORTANT NOTE! Not complete main chain atoms for residue G 47 # IMPORTANT NOTE! Not complete main chain atoms for residue G 48 # IMPORTANT NOTE! Not complete main chain atoms for residue K 49 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 50 # IMPORTANT NOTE! Not complete main chain atoms for residue K 51 # IMPORTANT NOTE! Not complete main chain atoms for residue M 52 # IMPORTANT NOTE! Not complete main chain atoms for residue R 53 # IMPORTANT NOTE! Not complete main chain atoms for residue S 54 # IMPORTANT NOTE! Not complete main chain atoms for residue E 55 # IMPORTANT NOTE! Not complete main chain atoms for residue S 56 # IMPORTANT NOTE! Not complete main chain atoms for residue T 57 # IMPORTANT NOTE! Not complete main chain atoms for residue F 58 # IMPORTANT NOTE! Not complete main chain atoms for residue K 59 # IMPORTANT NOTE! Not complete main chain atoms for residue T 60 # IMPORTANT NOTE! Not complete main chain atoms for residue T 61 # IMPORTANT NOTE! Not complete main chain atoms for residue E 62 # IMPORTANT NOTE! Not complete main chain atoms for residue C 63 # IMPORTANT NOTE! Not complete main chain atoms for residue S 64 # IMPORTANT NOTE! Not complete main chain atoms for residue F 65 # IMPORTANT NOTE! Not complete main chain atoms for residue K 66 # IMPORTANT NOTE! Not complete main chain atoms for residue L 67 # IMPORTANT NOTE! Not complete main chain atoms for residue G 68 # IMPORTANT NOTE! Not complete main chain atoms for residue E 69 # IMPORTANT NOTE! Not complete main chain atoms for residue K 70 # IMPORTANT NOTE! Not complete main chain atoms for residue F 71 # IMPORTANT NOTE! Not complete main chain atoms for residue K 72 # IMPORTANT NOTE! Not complete main chain atoms for residue E 73 # IMPORTANT NOTE! Not complete main chain atoms for residue V 74 # IMPORTANT NOTE! Not complete main chain atoms for residue T 75 # IMPORTANT NOTE! Not complete main chain atoms for residue P 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue S 78 # IMPORTANT NOTE! Not complete main chain atoms for residue R 79 # IMPORTANT NOTE! Not complete main chain atoms for residue E 80 # IMPORTANT NOTE! Not complete main chain atoms for residue V 81 # IMPORTANT NOTE! Not complete main chain atoms for residue A 82 # IMPORTANT NOTE! Not complete main chain atoms for residue S 83 # IMPORTANT NOTE! Not complete main chain atoms for residue L 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue T 86 # IMPORTANT NOTE! Not complete main chain atoms for residue V 87 # IMPORTANT NOTE! Not complete main chain atoms for residue E 88 # IMPORTANT NOTE! Not complete main chain atoms for residue N 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue V 91 # IMPORTANT NOTE! Not complete main chain atoms for residue M 92 # IMPORTANT NOTE! Not complete main chain atoms for residue K 93 # IMPORTANT NOTE! Not complete main chain atoms for residue H 94 # IMPORTANT NOTE! Not complete main chain atoms for residue E 95 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 96 # IMPORTANT NOTE! Not complete main chain atoms for residue D 97 # IMPORTANT NOTE! Not complete main chain atoms for residue D 98 # IMPORTANT NOTE! Not complete main chain atoms for residue K 99 # IMPORTANT NOTE! Not complete main chain atoms for residue T 100 # IMPORTANT NOTE! Not complete main chain atoms for residue K 101 # IMPORTANT NOTE! Not complete main chain atoms for residue V 102 # IMPORTANT NOTE! Not complete main chain atoms for residue T 103 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 104 # IMPORTANT NOTE! Not complete main chain atoms for residue I 105 # IMPORTANT NOTE! Not complete main chain atoms for residue E 106 # IMPORTANT NOTE! Not complete main chain atoms for residue R 107 # IMPORTANT NOTE! Not complete main chain atoms for residue V 108 # IMPORTANT NOTE! Not complete main chain atoms for residue V 109 # IMPORTANT NOTE! Not complete main chain atoms for residue E 110 # IMPORTANT NOTE! Not complete main chain atoms for residue G 111 # IMPORTANT NOTE! Not complete main chain atoms for residue N 112 # IMPORTANT NOTE! Not complete main chain atoms for residue E 113 # IMPORTANT NOTE! Not complete main chain atoms for residue L 114 # IMPORTANT NOTE! Not complete main chain atoms for residue K 115 # IMPORTANT NOTE! Not complete main chain atoms for residue A 116 # IMPORTANT NOTE! Not complete main chain atoms for residue T 117 # IMPORTANT NOTE! Not complete main chain atoms for residue V 118 # IMPORTANT NOTE! Not complete main chain atoms for residue K 119 # IMPORTANT NOTE! Not complete main chain atoms for residue V 120 # IMPORTANT NOTE! Not complete main chain atoms for residue D 121 # IMPORTANT NOTE! Not complete main chain atoms for residue E 122 # IMPORTANT NOTE! Not complete main chain atoms for residue V 123 # IMPORTANT NOTE! Not complete main chain atoms for residue V 124 # IMPORTANT NOTE! Not complete main chain atoms for residue C 125 # IMPORTANT NOTE! Not complete main chain atoms for residue V 126 # IMPORTANT NOTE! Not complete main chain atoms for residue R 127 # IMPORTANT NOTE! Not complete main chain atoms for residue T 128 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 129 # IMPORTANT NOTE! Not complete main chain atoms for residue S 130 # IMPORTANT NOTE! Not complete main chain atoms for residue K 131 # IMPORTANT NOTE! Not complete main chain atoms for residue V 132 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0137 # Total number of residues in target: 133 # Total number of residues in model: 129 # Total number of atoms in model: 129 # Number of atoms with 1.0 occupancy: 129 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 129 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0137 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1IFC ATOM 1 CA ALA 3 -7.159 -4.586 10.739 1.00 1.00 ATOM 2 CA PHE 4 -4.171 -2.684 9.085 1.00 1.00 ATOM 3 CA LEU 5 -6.408 -0.062 7.359 1.00 1.00 ATOM 4 CA GLY 6 -6.028 3.491 8.414 1.00 1.00 ATOM 5 CA THR 7 -3.590 6.119 9.643 1.00 1.00 ATOM 6 CA TRP 8 -1.053 5.286 12.296 1.00 1.00 ATOM 7 CA LYS 9 1.294 7.728 14.066 1.00 1.00 ATOM 8 CA MET 10 4.409 6.633 15.861 1.00 1.00 ATOM 9 CA GLU 11 4.103 6.705 19.652 1.00 1.00 ATOM 10 CA LYS 12 7.192 5.122 21.068 1.00 1.00 ATOM 11 CA SER 13 10.246 3.163 20.193 1.00 1.00 ATOM 12 CA GLU 14 12.201 0.335 21.779 1.00 1.00 ATOM 13 CA GLY 15 15.938 -0.056 21.074 1.00 1.00 ATOM 14 CA PHE 16 15.636 2.016 17.894 1.00 1.00 ATOM 15 CA ASP 17 18.836 4.001 18.289 1.00 1.00 ATOM 16 CA LYS 18 20.754 0.731 18.809 1.00 1.00 ATOM 17 CA ILE 19 19.331 -0.617 15.476 1.00 1.00 ATOM 18 CA MET 20 20.261 2.566 13.609 1.00 1.00 ATOM 19 CA GLU 21 23.722 2.412 15.115 1.00 1.00 ATOM 20 CA ARG 22 24.076 -1.187 13.890 1.00 1.00 ATOM 21 CA LEU 23 22.913 -0.087 10.423 1.00 1.00 ATOM 22 CA GLY 24 25.753 2.499 10.257 1.00 1.00 ATOM 23 CA VAL 25 23.756 5.656 11.046 1.00 1.00 ATOM 24 CA ASP 26 25.578 8.458 12.822 1.00 1.00 ATOM 25 CA PHE 27 24.756 9.841 16.227 1.00 1.00 ATOM 26 CA VAL 28 23.028 13.034 15.087 1.00 1.00 ATOM 27 CA THR 29 20.963 11.296 12.471 1.00 1.00 ATOM 28 CA ARG 30 19.940 8.669 15.065 1.00 1.00 ATOM 29 CA LYS 31 18.460 11.394 17.268 1.00 1.00 ATOM 30 CA MET 32 16.661 12.829 14.282 1.00 1.00 ATOM 31 CA GLY 33 15.440 9.379 13.236 1.00 1.00 ATOM 32 CA ASN 34 14.043 8.597 16.644 1.00 1.00 ATOM 33 CA LEU 35 11.906 11.770 16.509 1.00 1.00 ATOM 34 CA VAL 36 10.811 11.595 12.872 1.00 1.00 ATOM 35 CA LYS 37 7.088 12.032 13.436 1.00 1.00 ATOM 36 CA PRO 38 6.465 9.029 11.287 1.00 1.00 ATOM 37 CA ASN 39 2.916 8.566 10.028 1.00 1.00 ATOM 38 CA LEU 40 1.742 5.605 7.988 1.00 1.00 ATOM 39 CA ILE 41 -1.452 5.584 5.936 1.00 1.00 ATOM 40 CA VAL 42 -2.224 2.016 4.875 1.00 1.00 ATOM 41 CA THR 43 -4.693 1.023 2.165 1.00 1.00 ATOM 42 CA LEU 45 -5.228 -2.288 0.482 1.00 1.00 ATOM 43 CA GLY 46 -6.579 -3.239 -2.891 1.00 1.00 ATOM 44 CA GLY 47 -6.593 -7.039 -3.029 1.00 1.00 ATOM 45 CA GLY 48 -3.138 -8.437 -2.447 1.00 1.00 ATOM 46 CA LYS 49 -1.673 -4.998 -3.173 1.00 1.00 ATOM 47 CA TYR 50 -0.879 -2.478 -0.451 1.00 1.00 ATOM 48 CA LYS 51 -0.149 1.213 -0.586 1.00 1.00 ATOM 49 CA MET 52 1.648 2.499 2.478 1.00 1.00 ATOM 50 CA ARG 53 2.054 6.247 2.494 1.00 1.00 ATOM 51 CA SER 54 4.946 7.224 4.649 1.00 1.00 ATOM 52 CA GLU 55 5.110 10.762 5.911 1.00 1.00 ATOM 53 CA SER 56 7.892 11.934 8.208 1.00 1.00 ATOM 54 CA THR 57 10.289 14.808 8.797 1.00 1.00 ATOM 55 CA PHE 58 12.548 13.235 6.218 1.00 1.00 ATOM 56 CA LYS 59 10.294 12.448 3.352 1.00 1.00 ATOM 57 CA THR 60 6.900 11.779 2.014 1.00 1.00 ATOM 58 CA THR 61 6.681 8.751 -0.200 1.00 1.00 ATOM 59 CA GLU 62 4.211 6.149 -1.294 1.00 1.00 ATOM 60 CA CYS 63 5.264 2.545 -0.918 1.00 1.00 ATOM 61 CA SER 64 3.399 0.098 -3.139 1.00 1.00 ATOM 62 CA PHE 65 3.794 -3.635 -3.133 1.00 1.00 ATOM 63 CA LYS 66 2.002 -6.844 -3.994 1.00 1.00 ATOM 64 CA LEU 67 2.160 -9.589 -1.344 1.00 1.00 ATOM 65 CA GLY 68 4.768 -12.206 -2.334 1.00 1.00 ATOM 66 CA GLU 69 6.242 -10.093 -5.160 1.00 1.00 ATOM 67 CA LYS 70 9.740 -8.761 -4.699 1.00 1.00 ATOM 68 CA PHE 71 10.291 -5.029 -4.815 1.00 1.00 ATOM 69 CA LYS 72 12.794 -2.304 -4.029 1.00 1.00 ATOM 70 CA GLU 73 12.486 -0.134 -0.955 1.00 1.00 ATOM 71 CA VAL 74 14.761 2.417 0.667 1.00 1.00 ATOM 72 CA THR 75 14.862 3.244 4.317 1.00 1.00 ATOM 73 CA PRO 76 14.610 6.921 5.247 1.00 1.00 ATOM 74 CA ASP 77 18.365 6.946 5.833 1.00 1.00 ATOM 75 CA SER 78 18.998 5.995 2.190 1.00 1.00 ATOM 76 CA ARG 79 19.832 2.293 2.594 1.00 1.00 ATOM 77 CA GLU 80 18.427 0.303 -0.338 1.00 1.00 ATOM 78 CA VAL 81 16.685 -3.018 0.335 1.00 1.00 ATOM 79 CA ALA 82 14.989 -5.682 -1.792 1.00 1.00 ATOM 80 CA SER 83 12.606 -8.463 -0.811 1.00 1.00 ATOM 81 CA LEU 84 8.965 -9.111 -0.081 1.00 1.00 ATOM 82 CA ILE 85 6.082 -8.664 2.243 1.00 1.00 ATOM 83 CA THR 86 3.800 -11.666 2.873 1.00 1.00 ATOM 84 CA VAL 87 0.842 -12.180 5.194 1.00 1.00 ATOM 85 CA GLU 88 1.622 -14.859 7.779 1.00 1.00 ATOM 86 CA ASN 89 -1.491 -15.502 9.733 1.00 1.00 ATOM 87 CA GLY 90 -2.505 -12.031 10.673 1.00 1.00 ATOM 88 CA VAL 91 0.880 -10.427 10.526 1.00 1.00 ATOM 89 CA MET 92 2.765 -8.746 7.666 1.00 1.00 ATOM 90 CA LYS 93 6.243 -10.309 7.468 1.00 1.00 ATOM 91 CA HIS 94 8.898 -8.530 5.420 1.00 1.00 ATOM 92 CA GLU 95 11.963 -10.453 4.392 1.00 1.00 ATOM 93 CA GLN 96 14.542 -8.088 2.979 1.00 1.00 ATOM 94 CA ASP 97 18.183 -7.892 2.127 1.00 1.00 ATOM 97 CA ASP 98 25.021 -3.167 -0.489 1.00 1.00 ATOM 98 CA LYS 99 26.089 -5.841 1.958 1.00 1.00 ATOM 99 CA THR 100 23.598 -8.622 1.281 1.00 1.00 ATOM 100 CA LYS 101 22.607 -8.879 4.981 1.00 1.00 ATOM 101 CA VAL 102 19.086 -9.815 6.018 1.00 1.00 ATOM 102 CA THR 103 16.643 -7.357 7.556 1.00 1.00 ATOM 103 CA TYR 104 13.351 -8.802 8.847 1.00 1.00 ATOM 104 CA ILE 105 10.379 -6.524 9.476 1.00 1.00 ATOM 105 CA GLU 106 7.156 -7.614 11.118 1.00 1.00 ATOM 106 CA ARG 107 3.990 -5.511 11.369 1.00 1.00 ATOM 107 CA VAL 108 1.282 -6.823 13.649 1.00 1.00 ATOM 108 CA VAL 109 -1.708 -5.378 15.535 1.00 1.00 ATOM 109 CA GLU 110 -1.711 -5.496 19.354 1.00 1.00 ATOM 110 CA GLY 111 -5.000 -4.293 20.685 1.00 1.00 ATOM 111 CA ASN 112 -5.313 -0.966 18.969 1.00 1.00 ATOM 112 CA GLU 113 -1.613 -0.426 18.320 1.00 1.00 ATOM 113 CA LEU 114 0.528 -1.378 15.313 1.00 1.00 ATOM 114 CA LYS 115 3.887 -2.725 16.331 1.00 1.00 ATOM 115 CA ALA 116 6.655 -2.838 13.793 1.00 1.00 ATOM 116 CA THR 117 9.613 -5.028 14.733 1.00 1.00 ATOM 117 CA VAL 118 12.907 -5.110 12.948 1.00 1.00 ATOM 118 CA LYS 119 15.789 -7.542 13.358 1.00 1.00 ATOM 119 CA VAL 120 19.166 -6.910 11.795 1.00 1.00 ATOM 120 CA ASP 121 22.432 -8.627 12.684 1.00 1.00 ATOM 121 CA GLU 122 21.253 -9.717 16.077 1.00 1.00 ATOM 122 CA VAL 123 19.602 -6.463 17.155 1.00 1.00 ATOM 123 CA VAL 124 15.857 -5.954 17.465 1.00 1.00 ATOM 124 CA CYS 125 14.029 -2.653 17.481 1.00 1.00 ATOM 125 CA VAL 126 10.394 -1.753 17.540 1.00 1.00 ATOM 126 CA ARG 127 8.345 1.281 16.550 1.00 1.00 ATOM 127 CA THR 128 4.844 1.240 17.957 1.00 1.00 ATOM 128 CA TYR 129 2.092 3.281 16.459 1.00 1.00 ATOM 129 CA SER 130 -1.217 4.494 17.722 1.00 1.00 ATOM 130 CA LYS 131 -4.269 4.596 15.538 1.00 1.00 ATOM 131 CA VAL 132 -5.343 7.985 14.132 1.00 1.00 TER END ################################ # # # END # # # ################################