Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSIHKYPSKKAKNGYLYLVKVYMTRDGQRADHIKRGFRTRKEAKDYEARLIYLKASGKLEEFIKPTHKTYNEIFEKWYQAYQDTVEPTTASRTLDMFRLHILPVMGDLPISKISPLDCQNFIIEKAKV---FKNIKQIKSYTGKVFDFAIKMKLLKHNPMTEIIMPKRKKTRIENYWTVQELQEFLAIVLQEEPYKHYALFRLLAYSGLRKGELYALKWADIDFQSETLSVNKSLGRLDGQAIEKGTKNDFSVRRIKLDSETISILQEWKANCQKEKAQLAVAPLSIEQDFIFTYCTRSGSIEPLHADYINNVLSRIIRKHGLRKISPHGFRHTHATLMIEIGVDPVNTAKRLGHASSQMTLDTYSHSTTNGEDKSIKQFADYLKAK |
2KD1 Chain:A ((4-117)) | -----------------------------------------------------------------SKLSYGEYLESWFNTKRHSVGIQTAKVLKGYLNSRIIPSLGNIKLAKLTSLHMQNYVNSLRDEGLKRGTIEKIIKVIRNSLEHAIDLELITKNVAAKTKLPKA--DKEELEHHHHHH------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2KD1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -56347 for 786 contacts (-71.7/contact) +
2D Compatibility (PS) -11214 + (NN) 170 + (LL) 19612
1D Compatibility (HY) -4400 + (ID) 1150
Total energy: -53329.0 ( -67.85 by residue)
QMean score : 0.437
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