Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTAVYMNGGGLVNPHYARWDRRDSVESGCQTESSKEGEEGQPRQLTPFEKLTQDMSQDEKVVREITLGKRIGFYRIRGEIGSGNFSQVKLGIHSLTKEKVAIKILDKTKLDQKTQRL-LSREISSMEKLHHPNIIRLYEVVETLSKLHLVMEYAGGGELFGKISTEGKLSEPESKLIFSQIVSAVKHMHENQIIHRDLKAENVFYTS---NTCVKVGDFGFSTVSKKGEMLNTFCGSPPYAAPELFRDEHYIGI--YVDIWALGVLLYFMVTGTMPFRA-ETVAKLKKSILEGTYSVPP----HVSEPCHRLIRGVLQQIPTERYGIDCIMNDEWMQGVPYPTPLEPFQLDPKHLSETSTLKEEENEVKSTLEHLGITEEHIRNNQGRDARSSITGVYRIILHRVQRKKALESVPVMMLPDPKERDLKKGSRVYRGIRHTSKFCSIL |
4BDF Chain:A ((18-285)) | -------------------------------------------------------------------------YIMSKTLG----GEVKLAFERKTCKKVAIKIISK----------NVETEIEILKKLNHPCIIKIKNFFDA-EDYYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEENESTALPQVL------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BDF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -151879 for 1719 contacts (-88.4/contact) +
2D Compatibility (PS) -25195 + (NN) -8262 + (LL) 9852
1D Compatibility (HY) -26000 + (ID) 4550
Total energy: -206034.0 ( -119.86 by residue)
QMean score : 0.381
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