Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTTTTTTISGGILPKEYQDLRDTVADFARTVVAPVSAKHDAEHSFPYEIVAKMGEMGLFGLPFPEEYGGMGGDYFALSLVLEELGKVDQSVAITLEAAVGLGAMPIYRFGTEEQKQKWLPDLTSGRALAGFGLTEPGAGSDAGSTRTTARLEGDEWIINGSKQFITNSGTDITSLVTVTAVTGTTGTAADAKKEISTIIVPSGTPGFTVEPVYNKVGWNASDTHPLTFADARVPRENLLGARGSGYANFLSILDEGRIAIAALATGAAQGCVDESVKYANQRQSFGQPIGAYQAIGFKIARMEARAHVARTAYYDAAAKMLAGKPFKKEAAIAKMISSEAAMDNSRDATQIHGGYGFMNEYPVARHYRDSKVLEIGEGTTEVQLMLIARSLGLQ |
4N5F Chain:B ((20-385)) | -------------------IRDAARAFATEMLAPNAAQWDHDAHLPDAIVAQLGELGLLGMIVPQELGGSYTDYVAYALAMEEVAAGDAACATMMSVHNSVGCGPILGFGTPAQKDRWLADMAAGRVIGAFCLTEPH-------LRTRAELRD--WVLNGAKQFVTNGQR--AGVAIVFAMTDPEA----GKRGISAFLVPTDTPGFIVGKPEKKMGIRASDTCPITFENCAIPEDNLLGNRGEGLKIALSNLEGGRIGIAAQALGIARAAFDKARRYAGERVQFGKPIAEHQAIQQKLADMAVQINAARLLVHHAAKLRTAGLPCLSEASQAKLFASEMAERVCSDAIQIHGGYGYLVDYEVERHYRDARITQIYEGTSEVQRMVIARQL--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4N5F.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -138420 for 3283 contacts (-42.2/contact) +
2D Compatibility (PS) -39473 + (NN) -22211 + (LL) 1252
1D Compatibility (HY) -22800 + (ID) 7850
Total energy: -229502.0 ( -69.91 by residue)
QMean score : 0.462
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