Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAIVSAEKFVQAARDNGYAVGGFNTNNLEWTQAILRAAEAKKAPVLIQTSMGAAKYMGGYKLCKQLIETLVESMGITVPVAIHLDHGHYDDALEC----IEVGYTSIMFDGSHLPVEENLEKAREVVAKAHAKGISVEAEVGTIGGEEDGIVGKGELAPIEDAKAMVE-TGIDFLAAGIGNIHGPYPANWEGLDLDHLKKLTEAVPGFPIVLHGGSGIPDD---------------------QIQEAIKLGVAKVNVNTECQLAFCQATRDYAVEFNANEAEYMKKKLFDPRKFLKPGFDAITEAVEERIDVFGSANKA |
3GAK Chain:A ((2-307)) | -PLCTLRQMLGEARKHKYGVGAFNVNNMEQIQGIMKAVVQLKSPVILQCSRGALKYSDMIYL-KKLCEAALEKHP-DIPICIHLDHG---DTLESVKMAIDLGFSSVMIDASHHPFDENVRITKEVVAYAHARGVSVEAELG---------------TEPQDAKKFVELTGVDALAVAI-------------LAIDRVKTISD-LTGIPLVMHGSSSVPKDVKDMINKYGGKMPDAVGVPIESIVHAIGEGVCKINVDSDSRMAMTGAIRKVFVEHPEK---------FDPRDYLGPGRDAITEMLIPKIKAFGSAGHA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GAK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136097 for 2129 contacts (-63.9/contact) +
2D Compatibility (PS) -28292 + (NN) -20464 + (LL) 1748
1D Compatibility (HY) -21200 + (ID) 5700
Total energy: -210005.0 ( -98.64 by residue)
QMean score : 0.611
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