Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLLVVGSGGREHAIAKKLLASKDVDQVFVAPGNDGMTLDGLDLVNIGISEHSRLIDFAKENEIAWTFIGPDDALAAGIVDDFNSAGLRAFGPTKAAAELEWSKDFAKEIMVKYNVPTAAYGTFSDFEKAKAYIEEQGAPIVVKADGLALGKGVVVAETVEQAVEAAQEMLLDNKFGDSGARVVIEEFLDGEEFSLFAFANGDKFYIMPTAQDHKRAFDGDKGPNTGGMGAYAPVPHLPQSVVDTAVETIIKPVLEGMIAEGRPYLGVLYAGLILTADGPKVIEFNSRFGDPETQIILPRLTSDFAQNIDDIMMGIEPYITWQKDGVTLGVVVASEGYPLDYEKGVP---LPEKTDGDIITYYAGAKFAENSKALLSNGGRVYMLVTTEGSVKAGQDKIYTQLAQQDTTGLFYRNDIGSKAIK |
2XCL Chain:A ((3-418)) | --VLIIGKGGREHTLAWKAAQSSLVENVFAAPGNDGMAASA-QLVNIEESDHAGLVSFAKQNQVGLTIVGPEVPLIEGLVDEFEKAGLHVFGPSKAAAIIEGSKQFAKDLMKKYDIPTAEYETFTSFDEAKAYVQEKGAPIVIKADGLAAGKGVTVAMTEEEAIACLHDFLEDEKFGDASASVVIEEYLSGEEFSLMAFVKGEKVYPMVIAQDHKRAFDGDKGPNTGGMGAYSPVPQISEETVRHAVETIVKPAAKAMVQEGRSFTGVLYAGLMLTENGSKVIEFNARFGDPETQVVLPRMESDLVQVLLDLLDDKEVDLRW-KDTAAVSVVLASEGYPESYAKGTPIGSLAAETE-QVVVFHAGTK-AEGGE-FVTNGGRVANVTAFDETFEAARDRVYKAVDEIFKPGLFFRKDIGARALK |
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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) -216948 for 3767 contacts (-57.6/contact) +
2D Compatibility (PS) -45666 + (NN) -23792 + (LL) 672
1D Compatibility (HY) -34800 + (ID) 11150
Total energy: -331684.0 ( -88.05 by residue)
QMean score : 0.593
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