Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKDIDWSNLGFSYIKTDKRYISYWKDGEWDEGALTEDNTLHISEGSTALHYGQQCFEGLKAYRCKDGSINLFRPDRNAARIQKSCERLLMPHIPTEKFIDAVMQVVRANEEFVPPYGTGATLYLRPFV----IGVGDNIGVHAAPEYIFSVFCSPVGPYFKGGMAPTNF--IVSDFDRAAPNGT-GAAKVGGNYAASLLPGQAAKERNFGDCIYLDPATHTKIEEVGSANFFGITKDDKFVTPYSPSILPSITKYSLLYLAEHRLGLEAVEGDVYIDKLDEFKEAGACGTAAVITPIGGIQTKDDFHVFHSETEVGPVTKRLFDELCGIQFGDVEAPEGWIYKVK |
1A3G Chain:C ((4-307)) | -------------------KADYIWFNGEM---VRWEDAKVHVM--SHALHYGTSVFEGIRCYDSHKGPV-VFRHREHMQRLHDSAK---IYRFPVSQSIDELMEACRD----VIRKNNLTSAYIRPLIFVGDVGMGVNPPAGYSTDVIIAAF--PW----------QGIDAMVSSWNRAAPNTIPTAAKAGGNYLSSLLVGSEARRHGYQEGIALD--VNGYISEGAGENLFEVKDGVLFTPPFTSSALPGITRDAIIKLAKE-LGIEVREQVLSRESLYLADEVFMSGTAAEITP---VRSVDGIQV--GEGRCGPVTKRIQQAFFGLFTGETEDKWGWLDQVN |
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General information:
TITO was launched using:
| RESULT:
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Template: 1A3G.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -93715 for 2321 contacts (-40.4/contact) +
2D Compatibility (PS) -30479 + (NN) -8085 + (LL) 1284
1D Compatibility (HY) -16400 + (ID) 4950
Total energy: -152345.0 ( -65.64 by residue)
QMean score : 0.313
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