Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLQAIYNETKDLMQKSIQALNRDFSTLRSAKVSVNILDHIKVDYYGTPTALNQVGSVMSLDATTLQISPWEKNLLKEIERSIQEANIGVNPNNDGETIKLFFPPMTTEQRKLIAKDAKAMGEKAKVAVRNTRQDANNKVKKLEKDKEISEDESKKAQEQIQKITDEAIKKIDESVKNKEDAILKV
4KB4 Chain:A ((13-185))
------------MEKAVAVARDDLSTIRTGAANPGMFSRITIDYYGAATPITQLASINVPEARLVVIKPYEANQLRAIETAIRNSDLGVNPTNDGALIRVAVPQLTEERRRELVKQAKHKGEEAKVSVRNIRRKAMEELHRIRKEGEAGEDEVGRAEKDLDKTTHQYVTQIDELVKHKEGELLEV
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) -37482 for 1188 contacts (-31.6/contact) +
2D Compatibility (PS) -18773 + (NN) -6594 + (LL) 1184
1D Compatibility (HY) -10400 + (ID) 3250
Total energy: -75315.0 ( -63.40 by residue)
QMean score : 0.625
(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
: