Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVKDRQIQKTKVAIYNAFISLLQENDYSKITVQDVIGLANVGRSTFYSHYESKEVLLKELCEDLFHHLFKQGRDVTFEEYLVHILKHFEQNQDSIATLLLSDDPYFLLRFRSELEHDVYPRLREEYITKVDIPEDFLKQFLLSSFIETLKWWLHQRQKMTVEDLLKYYLTMVER
3KKC Chain:A ((5-177))
-VKDRQIQKTKVAIYNAFISLLQENDYSKITVQDVIGLANVGRSTFYSHYESKEVLLKELCEDLFHHLFKQGRDVTFEEYLVHILKHFEQNQDSIATLLLSDDPYFLLRFRSELEHDVYPRLREEYITKVDIPEDFLKQFLLSSFIETLKWWLHQRQKMTVEDLLKYYLTMVER
General information:
TITO was launched using:
RESULT:
Template:
3KKC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117705 for 1168 contacts (-100.8/contact) +
2D Compatibility (PS) -18581 + (NN) -12528 + (LL) 208
1D Compatibility (HY) -29200 + (ID) 8650
Total energy: -186456.0 ( -159.64 by residue)
QMean score : 0.678
(partial model without unconserved sides chains):
PDB file :
Tito_3KKC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KKC-query.scw
PDB file :
Tito_Scwrl_3KKC.pdb
: