Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSTIQSETDCYDIIEVLGKGTFGEVAKGWRRSTGEMVAIKILKNDAY---RNRIIKNELKLLHCMRGLDPEEAHVIRFLEFFHDA------LKFYLVFELLEQNLFEFQKENNFAPLPARHIRTVTLQVLTALARLKELAIIHADLKPENIMLVDQTRCPFRVKVIDFGSASIFSEVRYVKEPYIQSRFYRAPEILLGLPFCEKVDVWSLGCVMAELHLGWPLYPGNNEYDQVRYICETQGLPKPHLLHAACKAH-HFFKRNPHPDAANPWQLKSSADYLAETKVRPLERRKYMLKSLDQIETVNGGSVASRLTFP-DREALAEHADLKSMVELIKRMLTWESHERISPSAALRHPFVSMQQLRSAHETTHYYQLSLRSYRLSLQVEGKPPTPVVAAEDGTPYYCLAEEKEAAGMGSVAGSSPFFREEKAPGMQRAIDQLDDLSLQEAGHGLWGETCTNAVSDMMVPLKAAITGHHVPDSGPEPILAFYSSRLAGRHKARKPPAGSKSDSNFSNLIRLSQVSPEDDRPCRGSSWEEGEHLGASAEPLAILQRDEDGPNIDNMTMEAERPDPELFDPSSCPGEWLSEPDCTLESVRGPRAQGLPPRRSHQHGPPRGATSFLQHVTGHH |
| 3TTJ Chain:A ((61-360)) | -------LKRYQNLKPIGSGAQGIVCAAYDAVLDRNVAIKKLSRPFQNQTHAKRAYRELVLMKCVN-----HKNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQVIQM----ELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSD----CTLKILDFGLA-----S-FMM----VTRYYRAPEVILGMGYKENVDIWSVGCIMGEMVRHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRNYVENRPKYAGL-TFP-------------------K-LFPD---------------SLFPADSEH--NKLKASQARDLLSKMLVIDPAKRISVDDALQHPYINVWYDPAEVEAPPEHTIEEWKELIYKEVMN----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TTJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -175998 for 2176 contacts (-80.9/contact) +
2D Compatibility (PS) -29446 + (NN) -11844 + (LL) 14724
1D Compatibility (HY) -26000 + (ID) 4200
Total energy: -232764.0 ( -106.97 by residue)
QMean score : 0.454
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