Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKISKRLQNLPDQFFSSLVEKVGKKVAE-GHDVINLGQGNPDQPTPKHIVEAMKTASEKPLNHKYSLFRGKQELKQAAADFYAREYNVTIDPNTEVAILFGTKTGLVELPMCLMDPGDTMLLPDPGYPDYLSGVVLGEVQFEKMPLIAENDFLPDFTKIPEDIAEKTELMYLNYPNNPTGAVATADFFEETVAFAKNHNIVVAHDFAYGGIGFDGKKPISFLETNGAKEVGIELYTLSKTYNMAGWRVGFAVGNSEVIEAINLIQDHMYVSLFPGIQDAAIEALTGDQACVRELTARYENRRDAFISACREIGWEAVAPAGSFFAWMPVPEDFTSSEFADYLLEEVSVAVADGSGFGEFGEGYVRVGLLMDEERLEEAVTRVSKLHLFDKVTQQ |
2DOU Chain:B ((8-373)) | -------------SVFLVVDEAKRKARERGVGLIDLSIGSTDLPPPEAPLKALAEALNDPTTYGYCLKSCTLPFLEEAARWYEGRYGVGLDPRREALALIGSQEGLAHLLLALTEPEDLLLLPEVAYPSYFGAARVASLRTFLIPL--REDGLADLKAVPEGVWREAKVLLLNYPNNPTGAVADWGYFEEALGLARKHGLWLIHDNPYVDQVYEGEAP-SPLALPGAKERVVELFSLSKSYNLAGFRLGFALGSEEALARLERVKGVIDFNQYAGVLRMGVEALKTPKEVVRGYARVYRERALGMAEALKGV-LSLLPPRATMYLWGRLPEGVDDLEFGLRLVER-GVALAPGRGFGPGGKGFVRIALVRPLEELLEAAKRIRE---------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2DOU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -193860 for 3225 contacts (-60.1/contact) +
2D Compatibility (PS) -40590 + (NN) -24701 + (LL) 2480
1D Compatibility (HY) -27600 + (ID) 6050
Total energy: -290321.0 ( -90.02 by residue)
QMean score : 0.588
|
|
|