Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLSNSQGQSPPVPFPAPAPPPQPPTPALPHPPAQPPPPPPQQFPQFHVKSGLQIKKNAIIDDYKVTSQVLGLGINGKVLQIFNKRTQEKFALKMLQ-DCPKARREVELHWRASQCPHIVRIVDVYENLYAGRKCLLIVMECLDGGELFSRIQDRGDQAFTEREASEIMKSIGEAIQYLHSINIAHRDVKPENLLYTSKRPNAILKLTDFGFAKETTSHNSLTTPCYTPYYVAPEVLGPEKYDKSCDMWSLGVIMYILLCGYPPFYSNHGLAISPGMKTRIRMGQYEFPNPEWSEVSEEVKMLIRNLLKTEPTQRMTITEFMNHPWIMQSTKVPQTPLHTSRVLKEDKERWEDVKEEMTSALATMRVDYEQIKIKKIEDASNPLLLKRRKKARALEAAALAH |
2W4O Chain:A ((43-309)) | -----------------------------------------------IDGS---NRDALSDFFEVESE-LGRGATSIVYRCKQKGTQKPYALKVLKK--------IGVLLRLSH-PNIIKLKEIFETPTE----ISLVLELVTGGELFDRIVEKG--YYSERDAADAVKQILEAVAYLHENGIVHRDLKPENLLYATPAPDAPLKIADF----------------GTPGYCAPEILRGCAYGPEVDMWSVGIITYILLCGFEPFYDERG---DQFMFRRILNCEYYFISPWWDEVSLNAKDLVRKLIVLDPKKRLTTFQALQHPWV--------------------------------------------------------------------------- |
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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) -160029 for 1817 contacts (-88.1/contact) +
2D Compatibility (PS) -25552 + (NN) -12391 + (LL) 8444
1D Compatibility (HY) -22800 + (ID) 5050
Total energy: -217378.0 ( -119.64 by residue)
QMean score : 0.584
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