Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLLVVGSGGREHAIAKKLLASKDVDQVFVAPGNDGMTLDGLDLVNIGISEHSRLIDFAKENEIAWTFIGPDDALAAGIVDDFNSAGLRAFGPTKAAAELEWSKDFAKEIMVKYNVPTAAYGTFSDFEKAKAYIEEQGAPIVVKADGLALGKGVVVAETVEQAVEAAQEMLLDNKFGDSGARVVIEEFLDGEEFSLFAFANGDKFYIMPTAQDHKRAFDGDKGPNTGGMGAYAPVPHLPQSVVDTAVETIIKPVLEGMIAEGRPYLGVLYAGLILTADGPKVIEFNSRFGDPETQIILPRLTSDFAQNIDDIMMGIEPYITWQKDGVTLGVVVASEGYPLDYEKGVPLP--EKTDGDIITYYAGAKFAENSKALLSNGGRVYMLVTTEGSVKAGQDKIYTQLAQQDTTGLFYRNDIGSKAIK |
2YRW Chain:A ((22-439)) | MNVLVIGRGGREHAIAWKAAQSPLVGKLYVAPGNPGIA-DVAELVHIDELDIEALVQFAKQQAIDLTIVGPEAPLASGIVDRFMAEGLRIFGPSQRAALIEGSKAFAKELMKKYGIPTADHAAFTSYEEAKAYIEQKGAPIVIKAD------GVTVAQTVEEALAAAKAALVDGQFGTAGSQVVIEEYLEGEEFSFMAFVNGEKVYPLAIAQDHKRAYDGDEGPNTGGMGAYSPVPQISDEMMDAALEAILRPAAKALAAEGRPFLGVLYAGLMATANGPKVIEFNARFGDPEAQVVLPRLKTDLVEAVLAVMDGKELELEWTDEAV-LGVVLAAKGYPGAYERGAEIRGLDRISPDALLFHAGTK--REGGAWYTNGGRVLLLAAKGETLAKAKEKAYEQLAAIDCDGLFYRRDIGRRAIE |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YRW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -259455 for 3695 contacts (-70.2/contact) +
2D Compatibility (PS) -45462 + (NN) -27838 + (LL) 720
1D Compatibility (HY) -36800 + (ID) 10750
Total energy: -379585.0 ( -102.73 by residue)
QMean score : 0.604
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