Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIPLEKPGSGGSSPGATSGSGRAGRGLSGPCRPPPPPQARGLLTEIRAVVRTEPFQDGYSLCPGRELGRGKFAVVRKCIKKDSGKEFAAKFMRKRRKGQDCRME-IIHEIAVLELAQDNPWVINLHEVYETASEMILVLEYAAGGEIFDQCVADREEAFKEKDVQRLMRQILEGVHFLHTRDVVHLDLKPQNILLTSESPLGDIKIVDFGLSRILKNSEELREIMGTPEYVAPEIL--SYDPISMATDMWSIGVLTYVMLTGISPFLGNDKQETFLNISQMNLSYSEEEFDVLSESAVDFIRTLLVKKPEDRATAEECLKHPWLT-----QSSIQEPS----------FRMEKALEEANALQEGHSVPEINSDTDKSETKESIVTEELIVVTSYTLGQCRQSEKEKMEQKAISKRFKFEEPLLQEIPGEFIY |
3I7B Chain:A ((23-336)) | -----------------------------------------------------IFSDRYK--GQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLK-QLDHPNIMKLYEFFEDKGYFYLVGEVYTGGELFDEIISRKR--FSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLSTHFEASKKMKDKIGTAYYIAPEVLHGTYDE---KCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWIQTYTKEQISVDVPSLDNAILNIRQFQGTQKLAQAALLYMGSKL------TSQDETKE--------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3I7B.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -108331 for 2252 contacts (-48.1/contact) +
2D Compatibility (PS) -31674 + (NN) -19124 + (LL) 6108
1D Compatibility (HY) -25200 + (ID) 5500
Total energy: -183721.0 ( -81.58 by residue)
QMean score : 0.436
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