| Chain sequence(s) |
A: MASTDSEKVAEYLRRATLDLRAARQRIRELEGEPVAVVAMACRLPGGVSTPEEFWELLSEGRDAVAGLPTDRGWDLDSLFHPDPTRSGTAHQRGGGFLTEATAFDPAFFGMSPREALAVDPQQRLMLELSWEVLERAGIPPTSLQASPTGVFVGLIPQEYGPRLAEGGEGVEGYLMTGTTTSVASGRIAYTLGLEGPAISVDTACSSSLVAVHLACQSLRRGESSLAMAGGVTVMPTPGMLVDFSRMNSLAPDGRCKAFSAGANGFGMAEGAGMLLLERLSDARRNGHPVLAVLRGTAVNSDGASNGLSAPNGRAQVRVIQQALAESGLGPADIDAVEAHGTGTRLGDPIEARALFEAYGRDREQPLHLGSVKSNLGHTQAAAGVAGVIKMVLAMRAGTLPRTLHASERSKEIDWSSGAISLLDEPEPWPAGARPRRAGVSSFGISGTNAHAIIEEAPQVVEGERVEAGDVVAPWVLSASSAEGLRAQAARLAAHLREHPGQDPRDIAYSLATGRAALPHRAAFAPVDESAALRVLDGLATGNADGAAVGTSRAQQRAVFVFPGQGWQWAGMAVDLLDTSPVFAAALRECADALEPHLDFEVIPFLRAEAARREQDAALSTERVDVVQPVMFAVMVSLASMWRAHGVEPAAVIGHSQGEIAAACVAGALSLDDAARVVALRSRVIATMPGNKGMASIAAPAGEVRARIGDRVEIAAVNGPRSVVVAGDSDELDRLVASCTTECIRAKRLAVDYASHSSHVETIRDALHAELGEDFHPLPGFVPFFSTVTGRWTQPDELDAGYWYRNLRRTVRFADAVRALAEQGYRTFLEVSAHPILTAAIEEIGDGSGADLSAIHSLRRGDGSLADFGEALSRAFAAGVAVDWESVHLGTGARRVPLPTYPFQRERVWLEPKPVARRSTEVDEVSALRYRIEWRPTGAGEPARLDGTWLVAKYAGTADETSTAAREALESAGARVRELVVDARCGRDELAERLRSVGEVAGVLSLLAVDEAEPEEAPLALASLADTLSLVQAMVSAELGCPLWTVTESAVATGPFERVRNAAHGALWGVGRVIALENPAVWGGLVDVPAGSVAELARHLAAVVSGGAGEDQLALRADGVYGRRWVRAAAPATDDEWKPTGTVLVTGGTGGVGGQIARWLARRGAPHLLLVSRSGPDADGAGELVAELEALGARTTVAACDVTDRESVRELLGGIGDDVPLSAVFHAAATLDDGTVDTLTGERIERASRAKVLGARNLHELTRELDLTAFVLFSSFASAFGAPGLGGYAPGNAYLDGLAQQRRSDGLPATAVAWGTWAGSGMAEGPVADRFRRHGVIEMPPETACRALQNALDRAEVCPIVIDVRWDRFLLAYTAQRPTRLFDEIDDARRMASTDSEKVAEYLRRATLDLRAARQRIRELEGEPVAVVAMACRLPGGVSTPEEFWELLSEGRDAVAGLPTDRGWDLDSLFHPDPTRSGTAHQRGGGFLTEATAFDPAFFGMSPREALAVDPQQRLMLELSWEVLERAGIPPTSLQASPTGVFVGLIPQEYGPRLAEGGEGVEGYLMTGTTTSVASGRIAYTLGLEGPAISVDTACSSSLVAVHLACQSLRRGESSLAMAGGVTVMPTPGMLVDFSRMNSLAPDGRCKAFSAGANGFGMAEGAGMLLLERLSDARRNGHPVLAVLRGTAVNSDGASNGLSAPNGRAQVRVIQQALAESGLGPADIDAVEAHGTGTRLGDPIEARALFEAYGRDREQPLHLGSVKSNLGHTQAAAGVAGVIKMVLAMRAGTLPRTLHASERSKEIDWSSGAISLLDEPEPWPAGARPRRAGVSSFGISGTNAHAIIEEAPQVVEGERVEAGDVVAPWVLSASSAEGLRAQAARLAAHLREHPGQDPRDIAYSLATGRAALPHRAAFAPVDESAALRVLDGLATGNADGAAVGTSRAQQRAVFVFPGQGWQWAGMAVDLLDTSPVFAAALRECADALEPHLDFEVIPFLRAEAARREQDAALSTERVDVVQPVMFAVMVSLASMWRAHGVEPAAVIGHSQGEIAAACVAGALSLDDAARVVALRSRVIATMPGNKGMASIAAPAGEVRARIGDRVEIAAVNGPRSVVVAGDSDELDRLVASCTTECIRAKRLAVDYASHSSHVETIRDALHAELGEDFHPLPGFVPFFSTVTGRWTQPDELDAGYWYRNLRRTVRFADAVRALAEQGYRTFLEVSAHPILTAAIEEIGDGSGADLSAIHSLRRGDGSLADFGEALSRAFAAGVAVDWESVHLGTGARRVPLPTYPFQRERVWLEPKPVARRSTEVDEVSALRYRIEWRPTGAGEPARLDGTWLVAKYAGTADETSTAAREALESAGARVRELVVDARCGRDELAERLRSVGEVAGVLSLLAVDEAEPEEAPLALASLADTLSLVQAMVSAELGCPLWTVTESAVATGPFERVRNAAHGALWGVGRVIALENPAVWGGLVDVPAGSVAELARHLAAVVSGGAGEDQLALRADGVYGRRWVRAAAPATDDEWKPTGTVLVTGGTGGVGGQIARWLARRGAPHLLLVSRSGPDADGAGELVAELEALGARTTVAACDVTDRESVRELLGGIGDDVPLSAVFHAAATLDDGTVDTLTGERIERASRAKVLGARNLHELTRELDLTAFVLFSSFASAFGAPGLGGYAPGNAYLDGLAQQRRSDGLPATAVAWGTWAGSGMAEGPVADRFRRHGVIEMPPETACRALQNALDRAEVCPIVIDVRWDRFLLAYTAQRPTRLFDEIDDARR
C: EVQLVQSGGGLVQPGRSLRLSCTASGFTFGDYAMSWVRQAPGKGLEWVGFIRSKAYGGTTEYAASVKGRFTISRDDSKSIAYLQMNSLKTEDTAVYYCTRGGTLFDYWGQGTLVTVSSASTKGPSVFPLAPSSAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSTYICNVNHKPSNTKVDKKVEP B: MASTDSEKVAEYLRRATLDLRAARQRIRELEGEPVAVVAMACRLPGGVSTPEEFWELLSEGRDAVAGLPTDRGWDLDSLFHPDPTRSGTAHQRGGGFLTEATAFDPAFFGMSPREALAVDPQQRLMLELSWEVLERAGIPPTSLQASPTGVFVGLIPQEYGPRLAEGGEGVEGYLMTGTTTSVASGRIAYTLGLEGPAISVDTACSSSLVAVHLACQSLRRGESSLAMAGGVTVMPTPGMLVDFSRMNSLAPDGRCKAFSAGANGFGMAEGAGMLLLERLSDARRNGHPVLAVLRGTAVNSDGASNGLSAPNGRAQVRVIQQALAESGLGPADIDAVEAHGTGTRLGDPIEARALFEAYGRDREQPLHLGSVKSNLGHTQAAAGVAGVIKMVLAMRAGTLPRTLHASERSKEIDWSSGAISLLDEPEPWPAGARPRRAGVSSFGISGTNAHAIIEEAPQVVEGERVEAGDVVAPWVLSASSAEGLRAQAARLAAHLREHPGQDPRDIAYSLATGRAALPHRAAFAPVDESAALRVLDGLATGNADGAAVGTSRAQQRAVFVFPGQGWQWAGMAVDLLDTSPVFAAALRECADALEPHLDFEVIPFLRAEAARREQDAALSTERVDVVQPVMFAVMVSLASMWRAHGVEPAAVIGHSQGEIAAACVAGALSLDDAARVVALRSRVIATMPGNKGMASIAAPAGEVRARIGDRVEIAAVNGPRSVVVAGDSDELDRLVASCTTECIRAKRLAVDYASHSSHVETIRDALHAELGEDFHPLPGFVPFFSTVTGRWTQPDELDAGYWYRNLRRTVRFADAVRALAEQGYRTFLEVSAHPILTAAIEEIGDGSGADLSAIHSLRRGDGSLADFGEALSRAFAAGVAVDWESVHLGTGARRVPLPTYPFQRERVWLEPGAGEPARLDGTWLVAKYAGTADETSTAAREALESAGARVRELVVDARCGRDELAERLRSVGEVAGVLSLLAVDEAEPEEAPLALASLADTLSLVQAMVSAELGCPLWTVTESAVATGPFERVRNAAHGALWGVGRVIALENPAVWGGLVDVPAGSVAELARHLAAVVSGGAGEDQLALRADGVYGRRWVRAAAPATDDEWKPTGTVLVTGGTGGVGGQIARWLARRGAPHLLLVSRSGPDADGAGELVAELEALGARTTVAACDVTDRESVRELLGGIGDDVPLSAVFHAAATLDDGTVDTLTGERIERASRAKVLGARNLHELTRELDLTAFVLFSSFASAFGAPGLGGYAPGNAYLDGLAQQRRSDGLPATAVAWGTWAGSGMAEGPVADRFRRHGVIEMPPETACRALQNALDRAEVCPIVIDLASLPAPEREKALFELVRSHAAAVLGHASAERVPADQAFAELGVDSLSALELRNRLGAATGVRLPTTTVFDHPDVRTLAAHLTSELGMASTDSEKVAEYLRRATLDLRAARQRIRELEGEPVAVVAMACRLPGGVSTPEEFWELLSEGRDAVAGLPTDRGWDLDSLFHPDPTRSGTAHQRGGGFLTEATAFDPAFFGMSPREALAVDPQQRLMLELSWEVLERAGIPPTSLQASPTGVFVGLIPQEYGPRLAEGGEGVEGYLMTGTTTSVASGRIAYTLGLEGPAISVDTACSSSLVAVHLACQSLRRGESSLAMAGGVTVMPTPGMLVDFSRMNSLAPDGRCKAFSAGANGFGMAEGAGMLLLERLSDARRNGHPVLAVLRGTAVNSDGASNGLSAPNGRAQVRVIQQALAESGLGPADIDAVEAHGTGTRLGDPIEARALFEAYGRDREQPLHLGSVKSNLGHTQAAAGVAGVIKMVLAMRAGTLPRTLHASERSKEIDWSSGAISLLDEPEPWPAGARPRRAGVSSFGISGTNAHAIIEEAPQVVEGERVEAGDVVAPWVLSASSAEGLRAQAARLAAHLREHPGQDPRDIAYSLATGRAALPHRAAFAPVDESAALRVLDGLATGNADGAAVGTSRAQQRAVFVFPGQGWQWAGMAVDLLDTSPVFAAALRECADALEPHLDFEVIPFLRAEAARREQDAALSTERVDVVQPVMFAVMVSLASMWRAHGVEPAAVIGHSQGEIAAACVAGALSLDDAARVVALRSRVIATMPGNKGMASIAAPAGEVRARIGDRVEIAAVNGPRSVVVAGDSDELDRLVASCTTECIRAKRLAVDYASHSSHVETIRDALHAELGEDFHPLPGFVPFFSTVTGRWTQPDELDAGYWYRNLRRTVRFADAVRALAEQGYRTFLEVSAHPILTAAIEEIGDGSGADLSAIHSLRRGDGSLADFGEALSRAFAAGVAVDWESVHLGTGARRVPLPTYPFQRERVWLEPGAGEPARLDGTWLVAKYAGTADETSTAAREALESAGARVRELVVDARCGRDELAERLRSVGEVAGVLSLLAVDEAEPEEAPLALASLADTLSLVQAMVSAELGCPLWTVTESAVATGPFERVRNAAHGALWGVGRVIALENPAVWGGLVDVPAGSVAELARHLAAVVSGGAGEDQLALRADGVYGRRWVRAAAPATDDEWKPTGTVLVTGGTGGVGGQIARWLARRGAPHLLLVSRSGPDADGAGELVAELEALGARTTVAACDVTDRESVRELLGGIGDDVPLSAVFHAAATLDDGTVDTLTGERIERASRAKVLGARNLHELTRELDLTAFVLFSSFASAFGAPGLGGYAPGNAYLDGLAQQRRSDGLPATAVAWGTWAGSGMAEGPVADRFRRHGVIEMPPETACRALQNALDRAEVCPIVIDLASLPAPEREKALFELVRSHAAAVLGHASAERVPADQAFAELGVDSLSALELRNRLGAATGVRLPTTTVFDHPDVRTLAAHLTSELG E: EVQLVQSGGGLVQPGRSLRLSCTASGFTFGDYAMSWVRQAPGKGLEWVGFIRSKAYGGTTEYAASVKGRFTISRDDSKSIAYLQMNSLKTEDTAVYYCTRGGTLFDYWGQGTLVTVSSASTKGPSVFPLAPSSAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSTYICNVNHKPSNTKVDKKVEP D: DVVMTQSPLSLPVTPGEPASISCRSSQSLLHSNGYNYLDWYLQKPGQSPQLLIYLGSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCMQSLQTPRLTFGPGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPRGAKVQWKVQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEACEVTHQGLSSPVTKSF F: DVVMTQSPLSLPVTPGEPASISCRSSQSLLHSNGYNYLDWYLQKPGQSPQLLIYLGSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCMQSLQTPRLTFGPGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPRGAKVQWKVSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKACEVTHQGLSSPVTKSF input PDB |
| Selected Chain(s) | A,C,B,E,D,F |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Error log | Aggrescan encountered an error and it wasn't one we were expecting.
Please see the the following Traceback, perhaps it will be helpfull in understanding what happened.
We would be grateful if you reported the incident to one of the authors so we can correct the error.
Traceback (most recent call last):
File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/aggrescan/__main__.py", line 37, in run_program
a.run_job()
File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/aggrescan/newRunJob.py", line 105, in run_job
analyze(config=self.config, target="folded.pdb", working_dir=self.tmp_dir, agg_work_dir=self.work_dir)
File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/aggrescan/analysis.py", line 27, in aggregation_analysis
_run_aggrescan(target=target, working_dir=working_dir, config=config)
File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/aggrescan/analysis.py", line 38, in _run_aggrescan
out = run_aggrescan_3d(target, matrix_dir, config["distance"], working_dir, naccess=config["naccess"])
File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/aggrescan/aggrescan_3d.py", line 251, in run
filename="sasa.out", score_matrix=score_matrix, max_dist=max_dist)
File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/aggrescan/aggrescan_3d.py", line 236, in parse_freesasa
rsa = float(line[22:28].strip())
ValueError: could not convert string to float: N/A
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