Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKDIDWSNLGFSYIKTDKRYISYWKDGEWDEGALTEDNTLHISEGSTALHYGQQCFEGLKAYRCKDGSINLFRPDRNAARIQKSCERLLMPHIPTEKFIDAVMQVVRANEEFVPPYGTGATLYLRPFV----IGVGDNIGVHAAPEYIFSVFCSPVGPYFKGGMAPTNF--IVSDFDRAAPNGT-GAAKVGGNYAASLLPGQAAKERNFGDCIYLDPATHTKIEEVGSANFFGITKDDKFVTPYSPSILPSITKYSLLYLAEHRLGLEAVEGDVYIDKLDEFKEAGACGTAAVITPIGGIQTKDDFHVFHSETEVGPVTKRLFDELCGIQFGDVEAPEGWIYKVK |
1IYE Chain:B ((5-308)) | -------------------KADYIWFNGEM---VRWEDAKVHVM--SHALHYGTSVFEGIRCYDSHKGPV-VFRHREHMQRLHDSAK---IYRFPVSQSIDELMEACRD----VIRKNNLTSAYIRPLIFVGDVGMGVNPPAGYSTDVIIAAF--PWGAYLGAEALEQGIDAMVSSWNRAAPNTIPTAAKAGGNYLSSLLVGSEARRHGYQEGIALD--VNGYISEGAGENLFEVKDGVLFTPPFTSSALPGITRDAIIKLAKE-LGIEVREQVLSRESLYLADEVFMSGTAAEITP---VRSVDGIQV--GEGRCGPVTKRIQQAFFGLFTGETEDKWGWLDQVN |
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General information:
TITO was launched using:
| RESULT:
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Template: 1IYE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -100773 for 2481 contacts (-40.6/contact) +
2D Compatibility (PS) -31687 + (NN) -10461 + (LL) 1440
1D Compatibility (HY) -16800 + (ID) 5050
Total energy: -163331.0 ( -65.83 by residue)
QMean score : 0.380
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