Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKEVLSKSKEKMEKAEQALTRQLGTIRAGRANASLLDRLSVDYYGAATPVNQMASISVPEARMLLITPYDKTILGEIEKAILKSDLGLTPNNDGSVLRLSIPQLTEERRKELVKEVKKEAEEAKVAVRNIRREANEELKKLEKNGDITEDDLRSYGEDVQKLTDESIKNIDSITKDKEAEILEV
1WQH Chain:A ((2-184))
-IDEALFDAEEKMEKAVAVARDDLSTIRTGRANPGMFSRITIDYYGAATPITQLASINVPEARLVVIKPYEANQLRAIETAIRNSDLGVNPTNDGALIRVAVPQLTEERRRELVKQAKHKGEEAKVSVRNIRRKAMEELHRIRKEGEAGEDEVGRAEKDLDKTTHQYVTQIDELVKHKEGELLE-
General information:
TITO was launched using:
RESULT:
Template:
1WQH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -32887 for 1293 contacts (-25.4/contact) +
2D Compatibility (PS) -20181 + (NN) -11135 + (LL) 400
1D Compatibility (HY) -14000 + (ID) 4700
Total energy: -82503.0 ( -63.81 by residue)
QMean score : 0.512
(partial model without unconserved sides chains):
PDB file :
Tito_1WQH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WQH-query.scw
PDB file :
Tito_Scwrl_1WQH.pdb
: