Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLHVRGLGLPGCLALAALASLVHSQHVFLAPQQALSLLQRVRRANSGFLEELRKGNLERECVEEQCSYEEAFEALESPQDTDVFWAKYTVCDSVRKPRETFMDCLEGRCAMDLGLNYHGNVSVTHTGIECQLWRSRYPHRPDINSTTHPGADLKENFCRNPDSSTSGPWCYTTDPTVRREECSIPVCGQEGRTTVKMTPRSRGSKENLSPPLGECLLERGRLYQGNLAVTTLGSPCLAWDSLPTKTLSKYQNFDPEVKLVQNFCRNPDRDEEGAWCFVAQQPGFEYCSLNYCDEAVGEENHDGDESIAGRTTDAEFHTFFDERTFGLGEADCGLRPLFEKKSLTDKTEKELLDSYIDGRIVEGWDAEKGIAPWQVMLFRKSPQELLCGASLISDRWVLTAAHCILYPPWDKNFTENDLLVRIGKHSRTRYERNVEKISMLEKIYIHPRYNWRENLDRDIALLKLKKPVPFSDYIHPVCLPDKQTVTSLLQAGYKGRVTGWGNLRETWTTNINEIQPSVLQVVNLPIVERPVCKASTRIRITDNMFCAGFKVNDTKRGDACEGDSGGPFVMKSPYNHRWYQMGIVSWGEGCDRNGKYGFYTHVFRLKRWMQKVIDQHR |
4AYV Chain:B ((1-256)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQ-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AYV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -167356 for 2079 contacts (-80.5/contact) +
2D Compatibility (PS) -27606 + (NN) -7038 + (LL) 18972
1D Compatibility (HY) -35600 + (ID) 11350
Total energy: -229978.0 ( -110.62 by residue)
QMean score : 0.299
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