Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTTALKGVVFDLDGVITDTAHYHYLAWKKTAESIGIE-FDEAFNENLKGVSRIDSLLLILRKDGRENDFTEEQIEALAADKNDFYVSLLKEITPADVLPGIKELIVDLKKQNLKCAIASVSKNARTVLSALEMEQEFDYIVDAAKITKSKPDPEIFVEACRGLGLETSEVVGIEDAQAGIEAINAAGIVSVGVGSGLRDADMTVKSTGLLDLRILEILHSK
2WHE Chain:A ((2-189))
----FKAVLFDLDGVITDTAEYHFRAWKALAEEIGINGVDRQFNEQLKGVSREDSLQKIL--DLADKKVSAEEFKELAKRKNDNYVKMIQDVSPADVYPGILQLLKDLRSNKIKIALASASKNGPFLLERMNLTGYFDAIADPAEVAASKPAPDIFIAAAHAVGVAPSESIGLEDSQAGIQAIKDSGALPIGVG---------------------------
General information:
TITO was launched using:
RESULT:
Template:
2WHE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111416 for 1490 contacts (-74.8/contact) +
2D Compatibility (PS) -20250 + (NN) -11014 + (LL) 2552
1D Compatibility (HY) -17200 + (ID) 4650
Total energy: -161978.0 ( -108.71 by residue)
QMean score : 0.660
(partial model without unconserved sides chains):
PDB file :
Tito_2WHE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WHE-query.scw
PDB file :
Tito_Scwrl_2WHE.pdb
: