Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPIVNMTDMLKKALAGKYAVGQFNINNLEWTQAILKAAEAEKAPVILGVSEGAAKYMGGFKTVVKMTEGLVEDLKITVPVAIHLDHGSSFDSCKAAIDAGFSSVMIDGSHHPIDENIAMTKQVVDYAHAKGVSVEAEIGTVGGDEDGVTGGINYADPQECLRVVKEANIDALAAALGSVHGPY----HGEPVLGFDEMKEISELTGAPLVLHGGS---------------------GIPEHQIKKAIELGHSKINVNTECQIVWTAAVREKLATDDKVYDPRKVIGPGVDAIIKTVTEKIQEFGSNGKA |
3GAK Chain:B ((2-307)) | -PLCTLRQMLGEARKHKYGVGAFNVNNMEQIQGIMKAVVQLKSPVILQCSRGALKY-SDMIYLKKLCEAALEK-HPDIPICIHLDHGDTLESVKMAIDLGFSSVMIDASHHPFDENVRITKEVVAYAHARGVSVEAELG---------------TEPQDAKKFVELTGVDALAVAIGTSHGAYKFKSE----LAIDRVKTISDLTGIPLVMHGSSSVPKDVKDMINKYGGKMPDAVGVPIESIVHAIGEGVCKINVDSDSRMAMTGAIRKVFVEHPEKFDPRDYLGPGRDAITEMLIPKIKAFGSAGHA |
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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) -124885 for 2295 contacts (-54.4/contact) +
2D Compatibility (PS) -29392 + (NN) -13660 + (LL) 372
1D Compatibility (HY) -22800 + (ID) 6400
Total energy: -196765.0 ( -85.74 by residue)
QMean score : 0.604
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