Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSIHKYPSKKAKNGYLYLVKVYMTRDGQRADHIKRGFRTRKEAKDYEARLIYLKASGKLEEFIKPTHKTYNEIFEKWYQAYQDTVEPTTASRTLDMFRLHILPVMGDLPISKISPLDCQNFI-------IEKAKVFKNIKQIKSYTGKVFDFAIKMKLLKHNPMTEIIMPKRKKTRIENYWTVQELQEFLAIVLQEEPYKHYALFRLLAYSGLRKGELYALKWADIDFQSETLSVNKSLGRLDGQAIEKGTKNDFSVRRIKLDSETISILQEWKANCQKEKAQLAVAPLSIEQDFIFTYCTRSGSIEPLHADYINNVLSRIIRKHGLRKISPHGFRHTHATLMIEIGVDPVNTAKRLGHASSQMTLDTYSHSTTNGEDKSIKQFADYLKAK |
2KD1 Chain:A ((1-112)) | --------------------------------------------------------------MEPSKLSYGEYLESWFNTKRHSVGIQTAKVLKGYLNSRIIPSLGNIKLAKLTSLHMQNYVNSLRDEGLKRGTIEKIIKVIRNS----LEHAIDLELITKNVAAKTKLPKADKEELEHHHHHH--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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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) -57020 for 738 contacts (-77.3/contact) +
2D Compatibility (PS) -10572 + (NN) 803 + (LL) 19728
1D Compatibility (HY) -8000 + (ID) 1350
Total energy: -56411.0 ( -76.44 by residue)
QMean score : 0.508
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