Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--M-VKDRQIQKTKVAIYNAFISLLQENDYSKITVQDVIGLANVGRSTFYSHYESKEVLLKELCEDLFHHLFKQGRDVTFEEYLVHILKHFEQNQDSIATLLLSDDPYFLLRFRSELEHDVYPRLREEYITKVDIPEDFLKQFLLSSFIETLKWWLHQRQK-MTVEDLLKYYL-TMVER
3KKC Chain:A ((1-177))
SNAMVKDRQIQKTKVAIYNAFISLLQENDYSKITVQDVIGLANVGRSTFYSHYESKEVLLKELCEDLFHHLFKQGRDVTFEEYLVHILKHFEQNQDSIATLLLSDDPYFLLRFRSELEHDVYPRLREEYITKVDIPEDFLKQFLLSSFIETLKWWLHQRQKMTVEDLLKYYLTMVE--R
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) -106812 for 1149 contacts (-93.0/contact) +
2D Compatibility (PS) -18508 + (NN) -13439 + (LL) 296
1D Compatibility (HY) -24400 + (ID) 8000
Total energy: -170863.0 ( -148.71 by residue)
QMean score : 0.649
(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
: