Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNLLVVGSGGREHAISKKLLASNNVEKVFCAPGNDGMRLDDIQLVAISETDKAGLIDFAKKAEIAFVIVGPEVPLLEGVVDALEEAGIKAFGPKANAALIEGSKDFAKQFMEKYAIPTAASRTFTDYAEAKAYLNERGVPIVIKADGLAAGKGVTVALEMEEAVLALKDMMLEEKFGDASLKVVIEDFLAGEEFSLMAFVNGEEVYPMSIAQDHKRAYEGDKGPNTGGMGAYSPVPHISEAVIEEAVQKILLPTAKGMVKEGRYFRGILYAGLILTADGPKVIEFNARFGDPETQVVLPRLESDFAALIDALLHNEKPDVRFKKTGLTLGVVLASAGYPEHYEKGNKLTGLNDIAEDVAIYHAGTKQDENGDFISDGGRVLLLAKEAETMSDARTLLYPEMQKLDNPNFFYRIDIGTKAE |
2XCL Chain:A ((2-416)) | -NVLIIGKGGREHTLAWKAAQSSLVENVFAAPGNDGMAAS-AQLVNIEESDHAGLVSFAKQNQVGLTIVGPEVPLIEGLVDEFEKAGLHVFGPSKAAAIIEGSKQFAKDLMKKYDIPTAEYETFTSFDEAKAYVQEKGAPIVIKADGLAAGKGVTVAMTEEEAIACLHDFLEDEKFGDASASVVIEEYLSGEEFSLMAFVKGEKVYPMVIAQDHKRAFDGDKGPNTGGMGAYSPVPQISEETVRHAVETIVKPAAKAMVQEGRSFTGVLYAGLMLTENGSKVIEFNARFGDPETQVVLPRMESDLVQVLLDLLDDKEVDLRWKDTA-AVSVVLASEGYPESYAKGTPIGSLAAETEQVVVFHAGTKA-EGGEFVTNGGRVANVTAFDETFEAARDRVYKAVDEIFKPGLFFRKDIGARA- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XCL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -229071 for 3805 contacts (-60.2/contact) +
2D Compatibility (PS) -45473 + (NN) -26258 + (LL) 336
1D Compatibility (HY) -40800 + (ID) 12300
Total energy: -353566.0 ( -92.92 by residue)
QMean score : 0.523
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