Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAIDPNSIGAVTEPMLFEWTDRDTLLYAIGVGAGTGDLAFTTENSHGIDQQVLPTYAVICCPAFGAAAKVGTFNPAALLHGSQGIRLHAPLPAAGKLSVVTEVADIQDKGEGKNAIVVLRGRGCDPESGSLVAETLTTLVLRGQGGFGGARGERPAAPEFPDRHPDARIDMPTREDQALIYRLSGDRNPLHSDPWFATQLAGFPKPILHGLCTYGVAGRALVAELGGGVAANITSIAARFTKPVFPGETLSTVIWRTEPGRAVFRTEVAGSDGAEARVVLDDGAVEYVAG
3KHP Chain:D ((24-310))
--IDPNSIGAVTEPMLFEWTDRDTLLYAIGVGAGTGDLAFTTENSHGIDQQVLPTYAVICCPAFGAAAKV-----AALLHGSQGIRLHAPLPAAGKLSVVTEVADIQDKGE---AIVVLRGRGCDPESGSLVAETLTTLVL----------GERPAAPEFPDRHPDARIDMPTREDQALIYRLSGDRNPLHSDPWFATQLAGFPKPILHGLCTYGVAGRALVAELGGGVAANITSIAARFTKPVFPGETLSTVIWRTEPGRAVFRTEVAGS--AEARVVLDDGAVEYVA-
General information:
TITO was launched using:
RESULT:
Template:
3KHP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155052 for 2256 contacts (-68.7/contact) +
2D Compatibility (PS) -28216 + (NN) -11037 + (LL) -728
1D Compatibility (HY) -34000 + (ID) 13350
Total energy: -242383.0 ( -107.44 by residue)
QMean score : 0.516
(partial model without unconserved sides chains):
PDB file :
Tito_3KHP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KHP-query.scw
PDB file :
Tito_Scwrl_3KHP.pdb
: