Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSIHKYPSKKAKNGYLYLVKVYMTRDGQRADHIKRGFRTRKEAKDYEARLIYLKASGKLEEFIKPTHKTYNEIFEKWYQAYQDTVEPTTASRTLDMFRLHILPVMGDLPISKISPLDCQNFIIEKAK--VFKNIKQIKSYTGKVFDFAIKMKLLKHNPMTEIIMPKRKKTRIENYWTVQELQEFLAIVLQEEPYKHYALFRLLAYSGLRKGELYALKWADIDFQSETLSVNKSLGRLDGQAIEKGTKNDFSVRRIKLDSETISILQEWKANCQKEKAQLAVAPLSIEQDFIFTYCTRSGSIEPLHADYINNVLSRIIRKHGLRKISPHGFRHTHATLMIEIGVDPVNTAKRLGHASSQMTLDTYSHSTTNGEDKSIKQFADYLKAK |
2KIW Chain:A ((64-161)) | --------------------------------------------------------------------TFKQVADDWLKQYANDVKVSSVRAREKAIQ-HAIERFNTKPIQTIKKHDYQRFVDDISAQYSKNYVDSIVASTNMIFKYAYDTRLIKAMPSEGIKRPKKKVSVELEHHHHHH-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2KIW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -51226 for 593 contacts (-86.4/contact) +
2D Compatibility (PS) -9795 + (NN) -805 + (LL) 19944
1D Compatibility (HY) -3200 + (ID) 1050
Total energy: -46132.0 ( -77.79 by residue)
QMean score : 0.439
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