Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLEKLLSAIKQKVSNYFLGVLPKSYSMSEENNILGLYDEHFLLTKNENLVGILRLEGVSYTHLST---EQLQDLF---TERQMALDSLEKVVARLVVKRRKIDYKQSIQSDSQYLQAILNQFENKEVYENQYFLVLESTHSLHGVLEHKKKSFMHANRENFKDILSYKAHFLQETLKSLEIQLKNYAPKLLNSKEVLNFYAEYINGFELPLKPLVGGYLSDSYIASSITFEKDYFIQESFNQKTYNRLIGIKAYESERITSIAVGALLYQETPLDIIFSIEPMSVNKTLSFLKERAKFSMSNLVKNELLEYQELVKTKRLSMQKFALNVLIKAPSLEDLDAQTSLILGLLFKENLVGVIETFGLKGGYFSFFPERIHLNHRLRFLTSKALACLMVFERQNLGFKANSWGNSPLSVFKNLDYSPFLFNFHNQEVSHNNAKEIARVNGHTLVIGATGSGKSTLISYLMMSALKYQNMRLLAFDRMQGLYSFTEFFKGHYHDGQSFSINPFCLEPNLQNLEFLQSFFLSMLDLAPSRDKEALEDMNAISGAIKSLYETLYPKDFSLLDFKETLKRTSSNQLGLSLEPYLNNPLFNALNDAFNSNAFLNVINLDAITQNPKDLGLLAYYLFYKILEESRKNDSGFLVFLDEFKSYVENDLLNTKINALITQARKANGVVVLALQDIYQLSGVKNAHSFLSNMGTLILYPQKNARELKHNFNVPLSETEISFLENTPLYARQVLVKNLGNGSSNMIDVSLEGLGCYLKIFNSDSSHVNKVKALQKDYPTEWREKLLKS |
4AYB Chain:C ((247-302)) | -------------------------------------DEYIILTDGSNLSGVLSVKGVDIAKVETNNIREIEEVFGIEAAREIIIREISKVLAEQGLDVDMRHILLVADVMTRTGVVRQIGRHGVTGEKNSVLARAAFEVTVKHLLDAAARGDVEEFKGVVENIIIGHPIKLGTGMVELTMRPIL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AYB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -9966 for 222 contacts (-44.9/contact) +
2D Compatibility (PS) -5417 + (NN) -1489 + (LL) 46796
1D Compatibility (HY) -6800 + (ID) 800
Total energy: 22324.0 ( 100.56 by residue)
QMean score : 0.290
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