Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
------MVSSDNTNLKFLKAFSELLKMRSFEQIKVSDLAKKARLSRRSFYNHYNSKEDFLRESILIIFDDITKILNNDLLYEEVVLKEMLSYMYINKEIIKSFVFSEY-----------------------------------------------------------------------
3KKC Chain:A ((1-177))
SNAMVKDRQIQKTKVAIYNAFISLLQENDYSKITVQDVIGLANVGRSTFYSHYESKEVLLKELCEDLFHHLFKQGRDVTFEE--YLVHILKHFEQNQDSIATLLLSDDPYFLLRFRSELEHDVYPRLREEYITKVDIPEDFLKQFLLSSFIETLKWWLHQRQKMTVEDLLKYYLTMVER
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) -28288 for 629 contacts (-45.0/contact) +
2D Compatibility (PS) -10438 + (NN) -5876 + (LL) 296
1D Compatibility (HY) -6400 + (ID) 1350
Total energy: -52056.0 ( -82.76 by residue)
QMean score : 0.457
(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
: