Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIDEALFDAEEKMEKAVAVARDDLSTIRTGRANPGMFSRITIDYYGAATPITQLASINVPEARLVVIKPYEANQLRAIETAIRNSDLGVNPTNDGALIRVAVPQLTEERRRELVKQAKHKGEEAKVSVRNIRRKAMEELHRIRKEGEAGEDEVGRAEKDLDKTTHQYVTQIDELVKHKEGELLEV
4KB4 Chain:A ((2-185))
-IDEALFDAEEKMEKAVAVARDDLSTIRTGAANPGMFSRITIDYYGAATPITQLASINVPEARLVVIKPYEANQLRAIETAIRNSDLGVNPTNDGALIRVAVPQLTEERRRELVKQAKHKGEEAKVSVRNIRRKAMEELHRIRKEGEAGEDEVGRAEKDLDKTTHQYVTQIDELVKHKEGELLEV
General information:
TITO was launched using:
RESULT:
Template:
4KB4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -48595 for 1303 contacts (-37.3/contact) +
2D Compatibility (PS) -20480 + (NN) -12929 + (LL) 208
1D Compatibility (HY) -20400 + (ID) 9150
Total energy: -111346.0 ( -85.45 by residue)
QMean score : 0.589
(partial model without unconserved sides chains):
PDB file :
Tito_4KB4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KB4-query.scw
PDB file :
Tito_Scwrl_4KB4.pdb
: