Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKETLILLYGGRSAEREVSVLSAESVMRAINYDKFFVKTYFITQVGQFIKTQEFDEMPSSDE-------------KLMTNQTVDLDKMVRPSDIYDDNAIVFPVLHGPMGEDGSIQGFLEVLRMPYVGTNILSSSVAMDKITTKQVLATVGVPQVAYQTYFEGDDLEHA-IKLSLETLSFPIFVKPANMGSSVGISKATDESSLRSAIDLALKYDSRILIEQGVTAREIEVGILGNNDVKTTFPGEVVKDVDFYDYDAKYIDNKITMDIPAKVDEATMEAMRQYASKAFKAIGACGLSRCDFFLTKDGQIFLNELNTMPGFTQWSMYPLLWENMGLTYSDLIEKLVMLAKEMFEKRESHLI |
3E5N Chain:A ((2-352)) | -RKIRVGLIFGGKSAEHEVSLQSARNILDALDPQRFEPVLIGIDKQGQWHVNDPDSFLLHADDPARIALHRSGRGVALLPGAQQQQLRPIQ--QALAQIDVVFPIVHGTLGEDGSLQGLLRMANLPFVGSGVLGSAVAMDKDMAKRVLRDARLA-VAPFVCFDRHTAAHADVDTLIAQLGLPLFVKPANQGSSVGVSQVRTADAFAAALALALAYDHKVLVEAAVAGREIECAVLGNAVPHASVCGEVVV----------------EIVIPADIDAQTQQRIQQIAVQAYQALGCAGMARVDVFLCADGRIVINEVNTLPGFTRISVYPKLWQASGLDYRGLITRLIELALERHTDDQLL-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3E5N.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -181351 for 2652 contacts (-68.4/contact) +
2D Compatibility (PS) -35051 + (NN) -19500 + (LL) 1320
1D Compatibility (HY) -28000 + (ID) 6200
Total energy: -268782.0 ( -101.35 by residue)
QMean score : 0.522
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