Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSAIQASWPSGTECIAKYNFHGTAEQDLPFCKGDVLTIVAVTKDPNWYKAKNKVGREGIIPANYVQKREGVKAGTKLSLMPWFHGKITREQAERLLYPPETGLFLVRESTNYPGDYTLCVSCEGKVEHYRIMYHASKLSIDEEVYFENLMQLVEHYTTDADGLCTRLIKPKVMEGTVAAQDEFYRSGWALNMKELKLLQTIGKGEFGDVMLGDYR----GNKVAVKCIKNDA--TAQAFLAEASVMTQLRHSNLVQLLGVIVEEKGGLYIVTEYMAKGSLVDYLRSRGR--SVLGGDCLLKFSLDVCEAMEYLEGNNFVHRDLAARNVLVSEDNVAKVSDFGLTKEASSTQDTGKLPVKWTAPEALREKKFSTKSDVWSFGILLWEIYSFGRVPYPRIPLKDVVPRVEKGYKMDAPDGCPPAVYDVMKNCWHLDAATRPTFLQLREQLEHIRTHELHL |
4AOJ Chain:A ((35-320)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VHHIKRRDIVLKWELGEGAFGKVFLAECHNLLPKMLVAVKALKEASESARQDFQREAELLTMLQHQHIVRFFGVCTEG-RPLLMVFEYMRHGDLNRFLRSHGPDPGPLGLGQLLAVASQVAAGMVYLAGLHFVHRDLATRNCLVGQGLVVKIGDFG-----------TMLPIRWMPPESILYRKFTTESDVWSFGVVLWEIFTYGKQPWYQLSNTEAIDCITQGRELERPRACPPEVYAIMRGCWQREPQQRHSIKDVHARLQALAQA---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AOJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -164894 for 1969 contacts (-83.7/contact) +
2D Compatibility (PS) -26109 + (NN) -8569 + (LL) 13596
1D Compatibility (HY) -24800 + (ID) 4600
Total energy: -215376.0 ( -109.38 by residue)
QMean score : 0.323
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