Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ------MTKSEKIIELTNHYGAHNYLPLPIVISEAEGVWVKDPEGNKYMDMLSAYSAVNQGHRHPKIIQALKDQADKVTLVSRAFHSDNLGEWYEKIC-KLAGK---DKALPMNTGAEAVETALKAARRWAYDVKGIEPNKAEIIAFNGNFHGRTMAPVSLSSEAEYQR-GYGPLLDGFRKVDFGDVDALKAAINE-NTAAVLVEPIQGEAGINIPPEGYLKAIRELCDEHNVLFIADEIQAGLGRSGKLFATDWDNVK--PDVYILGKALGGGVFPISVVLADKEVLDVFTPGS--HGSTFGGNPLACAASIAALDVIVDEDLPGRSLELGDYFKEQLKQIDHPSIKEVRGRGLFIGVEL----NESARPYCEALKEEGLLCKET-HDTVIRFAPPLIITKEELDLALEKIRHVFQ-- |
2OAT Chain:A ((36-439)) | GPPTSDDIFEREYKYGAHNY-----HPLPVALERGKGIYLWDVEGRKYFDFLSSYSAVNQGHCHPKIVNALK-SQVDKL--TLTSRA-FYNNVLGEYEEYITKLFNYHKVLPMNTGVEAGETACKLARKWGYTVKGIQKYKAKIVFAAGNFWGRTLSAISSSTDPTS-YDGFGPFMPGFDIIPYNDLPALERALQDPNVAAFMVEPIQGEAGVVVPDPGYLMGVRELCTRHQVLFIADEIQTGLARTGRWLAVDYEN--VRPDIVLLGKALSGGLYPVSAVLCDDDIMLTIKP--GEHGSTYGGNPLGCRVAIAALEVLEEENLAENADKLGIILRNELMKLPSDVVTAVRGKGLLNAIVIKETKDWDAWKVCLRLRDNGLLAKPTH-GDIIRFAPPLVIKEDELRESIEIINKTILSF |
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General information:
TITO was launched using:
| RESULT:
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Template: 2OAT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -192248 for 3271 contacts (-58.8/contact) +
2D Compatibility (PS) -42023 + (NN) -22065 + (LL) 464
1D Compatibility (HY) -36000 + (ID) 8300
Total energy: -300172.0 ( -91.77 by residue)
QMean score : 0.573
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