Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKEIVIASNNQGKINDFKVIFPDYHVIGISELIPDFDVEETGSTFEENAILKSEAAAKALNKTVIADDSGLEVFALNGEPGIYSARYAGENKSDEANIEKLLNKLGNTTDRRAQFVCVISMSGPDMETKVFKGTVSGEIADGKYGENGFGYDPIFYVPKLDKTMAQLSKEQKGQISHRRNAINLLQAFLEGEKNV
4BNQ Chain:A ((2-195))
-KEIVIASNNQGKINDFKVIFPDYHVIGISELIPDFDVEETGSTFEENAILKSEAAAKALNKTVIADDSGLEVFALNGEPGIYSARYAGENKSDEANIEKLLNKLGNTTDRRAQFVCVISMSGPDMETKVFKGTVSGEIADGKYGENGFGYDPIFYVPKLDKTMAQLSKEQKGQISHRRNAINLLQAFLEGEKNV
General information:
TITO was launched using:
RESULT:
Template:
4BNQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -53674 for 1589 contacts (-33.8/contact) +
2D Compatibility (PS) -21343 + (NN) -13940 + (LL) 208
1D Compatibility (HY) -24400 + (ID) 9700
Total energy: -122849.0 ( -77.31 by residue)
QMean score : 0.601
(partial model without unconserved sides chains):
PDB file :
Tito_4BNQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BNQ-query.scw
PDB file :
Tito_Scwrl_4BNQ.pdb
: