Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKPLNTAQVFIGSDHAGLHLAEFVKHFLEDKRFKI--QAFLPT--TRVDYPDYAKLVCQKVLENAQSYGILVCATGIGMSMGANRFKGIRAALCLDAYMAKMTRLHNNANVLCLGEKISGIGVAESILEAFFSTEFEQG-RHVLRIQKLDESLKS
3K7P Chain:A ((21-171))
-----MTRRVAIGTDHPAFAIHENLILYVKEAGDEFVPVYCGPKTAESVDYPDFASRVAEMVARKEVEFGVLAAGSGIGMSIAANKVPGVRAALCHDHYTAAMSRIHNDANIVCVGERTTGVEVIREIIITFLQTPFSGEERHVRRIEKIRAIEAS
General information:
TITO was launched using:
RESULT:
Template:
3K7P.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125509 for 1209 contacts (-103.8/contact) +
2D Compatibility (PS) -15623 + (NN) -5872 + (LL) 228
1D Compatibility (HY) -10800 + (ID) 2800
Total energy: -160376.0 ( -132.65 by residue)
QMean score : 0.506
(partial model without unconserved sides chains):
PDB file :
Tito_3K7P.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K7P-query.scw
PDB file :
Tito_Scwrl_3K7P.pdb
: