Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSVDHLISPFRDKRIILALSNEIKKFASKLTKKLVIMEVCGGHTHSIMKYGLLDLMPKNLEFAHGPGCPVCVMP-----------RARLDEAYELASMKDSIVLSLGDMMRVPGSYGSLIQAREKGLDARFLYSPMQALEIAKENPHKKVIYIAIGFETTTPMTASVLLNAKKEKLKNLFFHINHILVPPSVSTILEDKACRINALLAPSHVSVISGAQIYAPLVDRFKLPIIVSGFEPVDILESVLMLTKQALNKEAKLEIQYKRAVSYEGNTKAQELVNACMEVRENFEWRGLGNIKRSALKLKEAFASYDAEKVFKAYLSHKTSKENKACKCGEILKGIAKPLDCSLFATTCTPQNPIGSCMVSSEGACAAYYRYKRV |
3VYR Chain:B ((8-368)) | ---------YRSREVAMKLVEKIREEAKTLDGEIRIMHVCGTHEDTVTRHGIRSLLPENVKVVSGPGCPVCITPVEDIVAMQLIMRKAREEGEEI------ILTTFGDMYKIPTPMGSFADLKSEGFDVRIVYGIFDTYRIAKENPDKTVVHFSPGFETTTAPAAGMLNVAAQEELENFKIYSVHRLTPPAVEVLLK-QGTVFQGLIAPGHVSTIIGVKGWEYLTEKYGIPQVVAGFEPNDVLMAILMLIRMYKEGEARIINEYERAVKYEGNVVAQKMIDKFFEVVDA-KWRALGVFPKSGLELRKEWKDFEIRSFYKVEVPKNLPDLEKGCRCGAVLRGLALPTDCPLFGKTCTPRHPVGPCMVSYEGTCQIFYKYGVL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VYR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -265655 for 3094 contacts (-85.9/contact) +
2D Compatibility (PS) -36486 + (NN) -5051 + (LL) 892
1D Compatibility (HY) -30000 + (ID) 6600
Total energy: -342900.0 ( -110.83 by residue)
QMean score : 0.506
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