Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIPLEKPGSGGSSPGATSGSGRAGRGLSGPCRPPPPPQARGLLTEIRAVVRTEPFQDGYSLCPGRELGRGKFAVVRKCIKKDSGKEFAAKFMRKRRKGQDCRMEIIHEIAVLELAQDNPWVINLHEVYETASEMILVLEYAAGGEIFDQCVADREEAFKEKDVQRLMRQILEGVHFLHTRDVVHLDLKPQNILLTSESPLGDIKIVDFGLSRILKNSEELREIMGTPEYVAPEIL--SYDPISMATDMWSIGVLTYVMLTGISPFLGNDKQETFLNISQMNLSYSEEEFDVLSESAVDFIRTLLVKKPEDRATAEECLKHPWLTQSSIQEPSFRMEKALEEANALQEGHSVPEINSDTDKSETKESIVTEELIVVTSYTLGQCRQSEKEKMEQKAISKRFKFEEPLLQEIPGEFIY |
3IGO Chain:A ((30-299)) | ------------------------------------------------------------------LGKGSFGEVLKCKDRITQQEYAVKVINKASAKNK-TSTILREVELLK-KLDHPNIMKLFEILEDSSSFYIVGELYTGGELFDEII--KRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLSTCFQQNT-------TAYYIAPEVLRGTYDE---KCDVWSAGVILYILLSGTPPFYGKNEYDILKRVETGKYAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPWIQKYSSETPTISDLPSLESA-------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IGO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -120446 for 1990 contacts (-60.5/contact) +
2D Compatibility (PS) -27032 + (NN) -9106 + (LL) 7364
1D Compatibility (HY) -24400 + (ID) 4650
Total energy: -178270.0 ( -89.58 by residue)
QMean score : 0.450
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