Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTIQSETDCYDIIEVLGKGTFGEVAKGWRRSTGEMVAIKILKNDAYR-NRIIKNELKLLHCMRGLDPEEAHVIRFLEFFHDALKFYLVFELLEQNLFEFQKENNFAPLPARHIRTVTLQVLTALARLKELAIIHADLKPENIMLVDQTRCPFRVKVIDFGSASIFSEVRYVKEPYIQSRFYRAPEILLGLPFCEKVDVWSLGCVMAELHLGWPLYPGNNEYDQVRYICETQGLPKPHLLHAACKAHHFFKRNPHPDAANPWQLKSSADYLAETKVRPLERRKYMLKSLDQIETVNGGSVASRLTFPDREALAEHADLKSMVELIKRMLTWESHERISPSAALRHPFVSMQQLRSAHETTHYYQLSLRSYRLSLQVEGKPPTPVVAAEDGTPYYCLAEEKEAAGMGSVAGSSPFFREEKAPGMQRAIDQLDDLSLQEAGHGLWGETCTNAVSDMMVPLKAAITGHHVPDSGPEPILAFYSSRLAGRHKARKPPAGSKSDSNFSNLIRLSQVSPEDDRPCRGSSWEEGEHLGASAEPLAILQRDEDGPNIDNMTMEAERPDPELFDPSSCPGEWLSEPDCTLESVRGPRAQGLPPRRSHQHGPPRGATSFLQHVTGHH |
4BGQ Chain:A ((11-299)) | -------MNKFEILGVVGEGAYGVVLKCRHKETHEIVAIKKFK-----VKETTLRELKMLRTLK-----QENIVELKEAFRRRGKLYLVFEYVEKNMLELLEEMP-NGVPPEKVKSYIYQLIKAIHWCHKNDIVHRDIKPENLLISHN----DVLKLCDFGFARNLSE----------TRWYRSPELLLGAPYGKSVDMWSVGCILGELSDGQPLFPGESEIDQLFTIQKVLGPLPSEQMKLFYSNPRF-HGLRF-----------PAV----NHPQSLERRY----------LG---------IL-N----------SVLLDLMKNLLKLDPADRYLTEQCLNHPTFQTQRL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BGQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177818 for 2092 contacts (-85.0/contact) +
2D Compatibility (PS) -28899 + (NN) -13322 + (LL) 16376
1D Compatibility (HY) -23200 + (ID) 4350
Total energy: -231213.0 ( -110.52 by residue)
QMean score : 0.438
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