Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKDIDWSNLGFSYIKTDKRYISYWKDGEWDEGALTEDNTLHISEGSTALHYGQQCFEGLKAYRCKDGSINLFRPDRNAARIQKSCERLLMP-HIPTEKFIDAVMQVVRANEEFVPPYGTGATLYLRPFVIGVGDNIGVHAAPE--YIFSVFCSPVGPYFKGGMAPTNFIVSDFDR-AAPNGTGAAKVGGNYAASLLPGQAAKERNFGDCIYLDPATHTKIEEVGSANFFGITKDDKFVTPYSPSILPSITKYSLLYLAEHRLGLEAVEGDVYIDKLDEFKEAGACGTAAVITPIGGIQTKDDFHVFHSETEVGPVTKRLFDELCGIQFGDVEAPEGWIYKVK- |
1A3G Chain:A ((4-308)) | ------------------------KADYIWFNGEMVRWEDAKVHVMSHALHYGTSVFEGIRCYDSHKGP-VVFRHREHMQRLHDSAKIYRFPVSQSIDELMEACRDVIRKNN--------LTSAYIRPLIFVGDVGMGVNPPAGYSTDVIIAAFPW--------QGIDAMVSSWNRAAPNTIPTAAKAGGNYLSSLLVGSEARRHGYQEGIALDV--NGYISEGAGENLFEVKDGVLFTPPFTSSALPGITRDAIIKLAKEL-GIEVREQVLSRESLYLADEVFMSGTAAEITPVRSV---DGIQV--GEGRCGPVTKRIQQAFFGLFTGETEDKWGWLDQVNQ |
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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) -120033 for 2390 contacts (-50.2/contact) +
2D Compatibility (PS) -31365 + (NN) -13640 + (LL) 2260
1D Compatibility (HY) -13600 + (ID) 4400
Total energy: -180778.0 ( -75.64 by residue)
QMean score : 0.363
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