Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSIHKYPSKKAKNGYLYLVKVYMTRDGQRADHIKRGFRTRKEAKDYEARLIYLKASGKLEEFIKPTHKTYNEIFEKWYQAYQDTVEPTTASRTLDMFRLHILPVMGDLPISKISPLDCQNFIIEKAKVFKNIKQIKSYTGKVFDFAIKMKLLKHNPMTEIIMPKRKKTRIENYWTVQELQEFLAIVLQEEPYKHYALFRLL-----AYSGLRKGELYALKWADIDFQSETLSVNKSL----GRLDGQAIEKGTKNDFSVRRIKLDSETISILQEWKANCQKEKAQLAVAPLSIEQDFIFTYCTRSGSIEPLHADYINNVLSRIIRKHGLRK-ISPHGFRHTHATLMIEIGVDPVNTAKRLGHASSQMTLDTYSHSTTNGEDKSIKQFADYLKAK |
3NKH Chain:A ((50-227)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HKRFYLFVALMTEFQALNGMRIGEMLAIQNEDIDFDNKSLNINGTIHWFHDESGGFGVKDTT---SSYRTIGLSSRSCEIL---KKAILENKKDSKWNDGYLNRNFVFT--NHKGN--PMQTERFNKILREAAKDVGIDKEVSSHILRHSHISLLSQQGVSLKAIMDRVGHSDHRTTLSIYSHVTEQMDKDMMNKLEQVKLG- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NKH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -23640 for 1148 contacts (-20.6/contact) +
2D Compatibility (PS) -17274 + (NN) -3984 + (LL) 16252
1D Compatibility (HY) -10400 + (ID) 2650
Total energy: -41696.0 ( -36.32 by residue)
QMean score : 0.357
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