Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSIHKYPSKKAKNGYLYLVKVYMTRDGQRADHIKRGFRTRKEAKDYEARLIYLKASGKLEEFIKPTHKTYNEIFEKWYQAYQDTVEPTTASRTLDMFRLHILPVMGDLPISKISPLDCQNFIIEKAK---VFKNIKQIKSYTGKVFDFAIKMKLLKHNPMTEIIMPKRKKTRIENYWTVQELQEFLAIVLQEEPYKHYALFRLLAYSGLRKGELYALKWADIDFQSETLSVNKSLGRLDGQAIEKGTKNDFSVRRIKLDSETISILQEWKANCQKEKAQLAVAPLSIEQDFIFTYCTRSGSIEPLHADYINNVLSRIIRKHGLRKISPHGFRHTHATLMIEIGVDPVNTAKRLGHASSQMTLDTYSHSTTNGEDKSIKQFADYLKAK |
2KD1 Chain:A ((1-118)) | --------------------------------------------------------------MEPSKLSYGEYLESWFNTKRHSVGIQTAKVLKGYLNSRIIPSLGNIKLAKLTSLHMQNYVNSLRDEGLKRGTIEKIIKVIRNSLEHAIDLELITKNVAAKTKLPKADKEELEHHHHHH--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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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) -51707 for 802 contacts (-64.5/contact) +
2D Compatibility (PS) -11521 + (NN) 1463 + (LL) 19524
1D Compatibility (HY) -5600 + (ID) 1250
Total energy: -49091.0 ( -61.21 by residue)
QMean score : 0.381
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