Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLLVVGSGGREHAIAKKLLASKDVDQVFVAPGNDGMTLDGLDLVNIGISEHSRLIDFAKENEIAWTFIGPDDALAAGIVDDFNSAGLRAFGPTKAAAELEWSKDFAKEIMVKYNVPTAAYGTFSDFEKAKAYIEEQGAPIVVKADGLALGKGVVVAETVEQAVEAAQEMLLDNKFGDSGARVVIEEFLDGEEFSLFAFANGDKFYIMPTAQDHKRAFDGDKGPNTGGMGAYAPVPHLPQSVVDTAVETIIKPVLEGMIAEGRPYLGVLYAGLILTADGPKVIEFNSRFGDPETQIILPRLTSDFAQNIDDIMMGIEPYITWQKDGVTLGVVVASEGYPLDYEKGVPLP--EKTDGDIITYYAGAKFAENSKALLSNGGRVYMLVTTEGSVKAGQDKIYTQLAQQDTTGLFYRNDIGSKAIK |
2YS6 Chain:A ((22-439)) | MNVLVIGRGGREHAIAWKAAQSPLVGKLYVAPGNPGIA-DVAELVHIDELDIEALVQFAKQQAIDLTIVGPEAPLASGIVDRFMAEGLRIFGPSQRAALIEGSKAFAKELMKKYGIPTADHAAFTSYEEAKAYIEQKGAPIVIKAD----GKGVTVAQTVEEALAAAKAALVDGQFGTAGSQVVIEEYLEGEEFSFMAFVNGEKVYPLAIAQDHKRAYDGDEGPNTGGMGAYSPVPQISDEMMDAALEAILRPAAKALAAEGRPFLGVLYAGLMATANGPKVIEFNARFGDPEAQVVLPRLKTDLVEAVLAVMDGKELELEWTDEAV-LGVVLAAKGYPGAYERGAEIRGLDRISPDALLFHAGTK--REGGAWYTNGGRVLLLAAKGETLAKAKEKAYEQLAAIDCDGLFYRRDIGRRAIE |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YS6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -250655 for 3669 contacts (-68.3/contact) +
2D Compatibility (PS) -45646 + (NN) -25176 + (LL) 828
1D Compatibility (HY) -36800 + (ID) 10850
Total energy: -368299.0 ( -100.38 by residue)
QMean score : 0.634
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