Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTTTTTTISGGILPKEYQDLRDTVADFARTVVAPVSAKHDAEHSFPYEIVAKMGEMGLFGLPFPEEYGGMGGDYFALSLVLEELGKVDQSVAITLEAAVGLGAMPIYRFGTEEQKQKWLPDLTSGRALAGFGLTEPGAGSDAGSTRTTARLEGDEWIINGSKQFITNSGTDITSLVTVTAVTGTTGTAADAKKEISTIIVPSGTPGFTVEPVYNKVGWNASDTHPLTFADARVPRENLLGARGSGYANFLSILDEGRIAIAALATGAAQGCVDESVKYANQRQSFGQPIGAYQAIGFKIARMEARAHVARTAYYDAAAKMLAGKPFKKEAAIAKMISSEAAMDNSRDATQIHGGYGFMNEYPVARHYRDSKVLEIGEGTTEVQLMLIARSLGLQ |
4N5F Chain:A ((20-385)) | -------------------IRDAARAFATEMLAPNAAQWDHDAHLPDAIVAQLGELGLLGMIVPQELGGSYTDYVAYALAMEEVAAGDAACATMMSVHNSVGCGPILGFGTPAQKDRWLADMAAGRVIGAFCLTEPHAGSEANNLRTRAELRDGQWVLNGAKQFVTNGQR--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) -141154 for 3403 contacts (-41.5/contact) +
2D Compatibility (PS) -40596 + (NN) -24039 + (LL) 1412
1D Compatibility (HY) -22800 + (ID) 8050
Total energy: -235227.0 ( -69.12 by residue)
QMean score : 0.452
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