Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDTKQLKQDIIDYAYTIGIDSIGFTTADPFDELKQKLEAYHANGYASGFEESDIALRTEPKLSLPTARSIIAIAVGYPNKLKGAPKSVRGDRRGLFARASWGQDYHTIMRKRLDMLAAFIESKVPDVEIKSMVDTGVLSDRAVAERAGLGFVGRNGFVINPKLGTWTYLGEMLVSIPFEPDDPLLDSCGDCTICVDRCPTSALVGNG-----QLNSQKCISFLTQTKGYMPDQYRYKIGNRLYGCDTCQQVCPKNRGINTEQDDIILEPEILKPRLVPLLRMSNKEFKQTYGHLAGAWRGKKPIQRNAILALAHFNEVDAIPELKKVATTDERPMIRATAYWAIGQILGEEARDFINANYDQEDAEVQNEMIKGLDTRRE |
1HFE Chain:L ((32-81)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EAKCIGCDTCSQYCPTAAIFGEMGEPHSIPHIEACI-----------------------NCGQCLTHCPENAI--------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1HFE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -9865 for 251 contacts (-39.3/contact) +
2D Compatibility (PS) -4836 + (NN) -4465 + (LL) 21884
1D Compatibility (HY) -2400 + (ID) 750
Total energy: -432.0 ( -1.72 by residue)
QMean score : 0.626
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