Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLQAIYNETKDLMQKSIQALNRDFSTLRSAKVSVNILDHIKVDYYGTPTALNQVGSVMSLDATTLQISPWEKNLLKEIERSIQEANIGVNPNNDGETIKLFFPPMTTEQRKLIAKDAKAMGEKAKVAVRNTRQDANNKVKKLEKDKEISEDESKKAQEQIQKITDEAIKKIDESVKNKEDAILKV
4KB2 Chain:A ((13-184))
------------MEKAVAVARDDLSTIRTGRANPGMFSRITIDYYGAATPITQLASINVPEARLVVIKPYEANQLRAIETAIRNSDLGVNPTNDGALIRVAVPQLTEEARRELVKQAKHKGEEAKVSVRNIRRKAMEELHRIRKEGEAGEDEVGRAEKDLDKTTHQYVTQIDELVKHKEGELLE-
General information:
TITO was launched using:
RESULT:
Template:
4KB2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -38648 for 1207 contacts (-32.0/contact) +
2D Compatibility (PS) -18624 + (NN) -6933 + (LL) 1376
1D Compatibility (HY) -10000 + (ID) 3200
Total energy: -76029.0 ( -62.99 by residue)
QMean score : 0.620
(partial model without unconserved sides chains):
PDB file :
Tito_4KB2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KB2-query.scw
PDB file :
Tito_Scwrl_4KB2.pdb
: