Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDTKQLKQDIIDYAYTIGIDSIGFTTADPFDELKQKLEAYHANGYASGFEESDIALRTEPKLSLPTARSIIAIAVGYPNKLKGAPKSVRGDRRGLFARASWGQDYHTIMRKRLDMLAAFIESKVPDVEIKSMVDTGVLSDRAVAERAGLGFVGRNGFVINPKLGTWTYLGEMLVSIPFEPDDPLLDSCGDCTICVDRCPTSA----LVGNGQLNSQKCISFLTQTKGYMPDQYRYKIG-NRL--YGCDTCQQVCPKN------RGINTEQDDIILEPEI-----LKPRLVPLLRMSNKEFKQTYGHLAGAWRGKKPIQRNAILALAHFNEVDAIPELKKVATTDERPMIRATAYWAIGQILGEEARDFINANYDQEDAEVQNEMIKGLDTRRE |
2C3M Chain:A ((686-813)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ENCIQCNQCAFVCPHSAILPVLAKEEELVGAPANFTALEAKGKELKGYKFRIQINTLDCMGCGNCADICPPKEKALVMQPLDTQRDAQVPNLEYAARIPVKSEVLPRDSLKGSQFQEPLMEFSGACSG-------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C3M.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -5104 for 643 contacts (-7.9/contact) +
2D Compatibility (PS) -11596 + (NN) -5285 + (LL) 17832
1D Compatibility (HY) -5200 + (ID) 1450
Total energy: -10803.0 ( -16.80 by residue)
QMean score : 0.097
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