Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MIPLEKPGSGGSSPGATSGSGRAGRGLSGPCRPPPPPQARGLLTEIRAVVRTEPFQDGYSLCPGRELGRGKFAVVRKCIKKDSGKEFAAKFMRKRRKGQDCRMEIIHEIAVLELAQDNPWVINLHEVYETASEMILVLEYAAGGEIFDQCVADREEAFKEKDVQRLMRQILEGVHFLHTRDVVHLDLKPQNILLTSESPLGDIKIVDFGLSRILKNSEELREIMGTPEYVAPEILSYDPISMATDMWSIGVLTYVMLTGISPFLGNDKQETFLNISQMNLSYS--EEEFDVLSESAVDFIRTLLVKKPEDRATAEECLKHPWLTQSSIQEPSF-RMEKALEEANALQEGHSVPEINSDTDKSETKESIVTEELIVVTSYTLGQCRQSEKEKMEQKAISKRFKFEEPLLQEIPGEFIY |
| 2W4O Chain:A ((60-331)) | -----------------------------------------------------------------ELGRGATSIVYRCKQKGTQKPYALKVLKK----------I----GVL-LRLSHPNIIKLKEIFETPTEISLVLELVTGGELFDRIV--EKGYYSERDAADAVKQILEAVAYLHENGIVHRDLKPENLLYATPAPDAPLKIADF----------------GTPGYCAPEILRGCAYGPEVDMWSVGIITYILLCGFEPFY-DERGDQFMFRRILNCEYYFISPWWDEVSLNAKDLVRKLIVLDPKKRLTTFQALQHPWVTGKAANFVHMDTAQKKLQEFNA------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2W4O.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136956 for 1883 contacts (-72.7/contact) +
2D Compatibility (PS) -25694 + (NN) -12948 + (LL) 8360
1D Compatibility (HY) -23200 + (ID) 4900
Total energy: -195338.0 ( -103.74 by residue)
QMean score : 0.406
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