Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSKTSLDKSKIKFLLLEGVHQNAVDTLKAAGYTNIEYLKTALSGDELKERIADAHFIGIRSRTQLTEEVFDCAKKLIAVGCFCIGTNQVDLNAARERGIAVFNAPYSNTRSVAELVLAEAILLLRGIPEKNASCHRGGWIKSAANSFEIRGKKLGIVGYGSIGTQLSVLAEALGMQVFFYDTVTKLPLGNAVQIGSLHELLGMSDIVSLHVPELPSTQWMIGEKEIRAMKKGGILINAARGTVVELDHLAAAIKDEHLIGAAIDVFPVEPKSNDEEFASPLRGLDRVILTPHIGGSTAEAQANIGLEVAEKLVKYSDNGTSVSSVNFPEVALPSHPGKHRLLHIHANIPGVMSEINKVFADNGINVSGQYLQTNEKVGYVVIDVDAE--YSDLALEKLQQVNGTIRSRVLF |
| 3K5P Chain:A ((12-416)) | ------SRDRINVLLLEGISQTAVEYFKSSGYTNVTHLPKALDKADLIKAISSAHIIGIRSRTQLTEEIFAAANRLIAVGCFSVGTNQVELKAARKRGIPVFNAPFSNTRSVAELVIGEIIMLMRRIFPRSVSAHAGGWEKTAIGSREVRGKTLGIVGYGNIGSQVGNLAESLGMTVRYYDTSDKLQYGNVKPAASLDELLKTSDVVSLHVP-----SKLITEAKLRKMKKGAFLINNARGSDVDLEALAKVLQEGHLAGAAIDVFPVEPASNGERFSTPLQGLENVILTPHIGGSTEEAQERIGTEVTRKLVEYSDVGSTVGAVNFPQVQLPPRPTGTRFMHVHENRPGILNSLMNVFSHHHINIASQFLQTDGEVGYLVMEADGVGEASDAVLQEIREIPGTIRARLLY |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K5P.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -272716 for 3346 contacts (-81.5/contact) +
2D Compatibility (PS) -43794 + (NN) -19673 + (LL) 608
1D Compatibility (HY) -40400 + (ID) 11150
Total energy: -387125.0 ( -115.70 by residue)
QMean score : 0.588
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