Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKISKRLQNLPDQFFSSLVEKVGKKVA-EGHDVINLGQGNPDQPTPKHIVEAMKTASEKPLNHKYSLFRGKQELKQAAADFYAREYNVTIDPNTEVAILFGTKTGLVELPMCLMDPGDTMLLPDPGYPDYLSGVVLGEVQFEKMPLIAENDFLPDFTKIPEDIAEKTELMYLNYPNNPTGAVATADFFEETVAFAKNHNIVVAHDFAYGGIGFDGKKPISFLETNGAKEVGIELYTLSKTYNMAGWRVGFAVGNSEVIEAINLIQDHMYVSLFPGIQDAAIEALTGDQACVRELTARYENRRDAFISACREIGWEAVAPAGSFFAWMPVPEDFTSSEFADYLLEEVSVAVADGSGFGEFGEGYVRVGLLMDEERLEEAVTRVSKLHLFDKVTQQ |
2DOU Chain:A ((16-375)) | ---------------------AKRKARERGVGLIDLSIGSTDLPPPEAPLKALAEALNDPTTYGYCLKSCTLPFLEEAARWYEGRYGVGLDPRREALALIGSQEGLAHLLLALTEPEDLLLLPEVAYPSYFGAARVASLRTFLIPLRED--GLADLKAVPEGVWREAKVLLLNYPNNPTGAVADWGYFEEALGLARKHGLWLIHDNPYVDQVYEGEAPSPLA-LPGAKERVVELFSLSKSYNLAGFRLGFALGSEEALARLERVKGVIDFNQYAGVLRMGVEALKTPKEVVRGYARVYRERALGMAEALKGV-LSLLPPRATMYLWGRLPEGVDDLEFGLRL-VERGVALAPGRGFGPGGKGFVRIALVRPLEELLEAAKRIREAL-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DOU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -205263 for 3169 contacts (-64.8/contact) +
2D Compatibility (PS) -39888 + (NN) -23890 + (LL) 2384
1D Compatibility (HY) -24800 + (ID) 5800
Total energy: -297257.0 ( -93.80 by residue)
QMean score : 0.549
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