Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAELKLEHIKKTYDNNNTVVKDFNLHITDKEFIVFVGPSGCGKSTTLRMVAGLESITSGDFYIDGERMNDVEPKNRDIAMVFQNYALYPH-----MTVFENMAFGLKLRKVNKKEIEQKVNEAAEILGL--TEYLGRKPKALSGGQRQRVALGRAIVRDAKVFLMDEPLSNLDAKLRVQMRTEILKLHKRLNTTTIYVTHDQTEALTMASRIVVLKDGDIMQVGTPREIYDAPNCIFVAQFIGSPAMNMLNATVEMDGLKVGTHHFKLHNKKFEKLKAAGYLDKEIILGIRAEDIHEEPIFIQTSPETQFESEVVVSELLGSEIMVHSTFQGMELISKLDSRTQVMTNDKITLAFDMNKCHFFDEKTGNRIV |
4HLU Chain:B ((25-226)) | -------------------LENVSLVINEGECLLVAGNTGSGKSTLLQIVAGLIEPTSGDVLYDGERKKGYEIR-RNIGIAFQ----YPEDQFFAERVFDEVAFAVKNFYPDRDPVPL-VKKAMEFVGLDFDSFKDRVPFFLSGGEKRRVAIASVIVHEPDILILDEPLVGLDREGKTDL-LRIVEKWKTLGKTVILISHDIETVINHVDRVVVLEKGKKVFDGTRME------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4HLU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -92545 for 1506 contacts (-61.5/contact) +
2D Compatibility (PS) -21576 + (NN) -8918 + (LL) 12740
1D Compatibility (HY) -16000 + (ID) 3550
Total energy: -129849.0 ( -86.22 by residue)
QMean score : 0.504
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