Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSFFHGVTVTNVDIGARTIALPASSVIGLCDVFTPGAQASAKPNVPVLLTSKKDAAAAFGIGSSIYLACEAIYNRAQAVIVAVGVETAETPEAQASAVIGGISAAGERTGLQALLDGKSRFNAQPRLLVAPGHSAQQAVATA--MDGLAEKLRAIAILDGPNSTDE--AAVAYAKNFGSKRLFMVDP---GVQVWDSATNAARNAPASAYAAGLFAWTDAEYGFWSSPSNKEIKGVTGTSRPVEFLDGDETCRANLLNNANIATIIRDDGYRLWGNRTLSSDSKWAFVTRVRTMDLVMDAILAGHKWAVDRGITKTYVKDVTEGLRAFMRDLKNQGAVINFEVYADPDLNSASQLAQGKVYWNIRFTDVPPAENPNFRVEVTDQWLTEVLDVA |
3PVA Chain:A ((1-334)) | CSSLSIRTTDDKSLFARTMDFTME-----------------PDSKVIIVPRNYGIRLLEKENVVI---------NNSYAFVGMGSTDITSPVLYDGVNEKGLMGAMLYYATFATYADEPK---KGTTGINPVYVISQVLGNCVTVDDVIEKLTSYTLLNEANIILGFAPPLHYTFTDASGESIVIEPDKTGITIHRKTIGVMTNSPG-------YEWHQTNLRAYIGVTPNPPQDIMMGDLDLTPFGQGAGGLGLPGDFTPSARFLRVAYWKKYTEKAKN------------ETEGVTNLFHILSSVNIPKGVVLTNEGKTDYTIYTSAMCAQSK--NYYFKLYDNSRISAVSLMAENLNSQDLITFEWDRKQDIKQLNQVNVM--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PVA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -36433 for 2689 contacts (-13.5/contact) +
2D Compatibility (PS) -35015 + (NN) -15989 + (LL) 4656
1D Compatibility (HY) -4400 + (ID) 1850
Total energy: -89031.0 ( -33.11 by residue)
QMean score : 0.127
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