Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLLVVGSGGREHAIAKKLLASKDVDQVFVAPGNDGMTLDGLDLVNIGISEHSRLIDFAKENEIAWTFIGPDDALAAGIVDDFNSAGLRAFGPTKAAAELEWSKDFAKEIMVKYNVPTAAYGTFSDFEKAKAYIEEQGAPIVVKADGLALGKGVVVAETVEQAVEAAQEMLLDNKFGDSGARVVIEEFLDGEEFSLFAFANGDKFYIMPTAQDHKRAFDGDKGPNTGGMGAYAPVPHLPQSVVDTAVETIIKPVLEGMIAEGRPYLGVLYAGLILTADGPKVIEFNSRFGDPETQIILPRLTSDFAQNIDDIMMGIEPYITWQKDGVTLGVVVASEGYPLDYEKGVP---LPEKTDGDIITYYAGAKFAENSKALLSNGGRVYMLVTTEGSVKAGQDKIYTQLAQQDTTGLFYRNDIGSKAIK |
2XD4 Chain:A ((1-418)) | MNVLIIGKGGREHTLAWKAAQSSLVENVFAAPGNDGMAASA-QLVNIEESDHAGLVSFAKQNQVGLTIVGPEVPLIEGLVDEFEKAGLHVFGPSKAAAIIEGSKQFAKDLMKKYDIPTAEYETFTSFDEAKAYVQEKGAPIVIKADGLAAGKGVTVAMTEEEAIACLHDFLEDEKFGDASASVVIEEYLSGEEFSLMAFVKGEKVYPMVIAQDHKRAFDGDKGPNTGGMGAYSPVPQISEETVRHAVETIVKPAAKAMVQEGRSFTGVLYAGLMLTENGSKVIEFNARFGDPETQVVLPRMESDLVQVLLDLLDDKEVDLRW-KDTAAVSVVLASEGYPESYAKGTPIGSLAAETE-QVVVFHAGTK-AEGGE-FVTNGGRVANVTAFDETFEAARDRVYKAVDEIFKPGLFFRKDIGARALK |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XD4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -209550 for 3795 contacts (-55.2/contact) +
2D Compatibility (PS) -45786 + (NN) -22550 + (LL) 400
1D Compatibility (HY) -35200 + (ID) 11200
Total energy: -323886.0 ( -85.35 by residue)
QMean score : 0.573
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