Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAIDPNSIGAVTEPMLFEWTDRDTLLYAIGVGAGTGDLAFTTENSHGIDQQVLPTYAVICCPAFGAAAKVGTFNPAALLHGSQGIRLHAPLPAAGKLSVVTEVADIQDKGEGKNAIVVLRGRGCDPESGSLVAETLTTLVLRGQGGFGGARGERPAAPEFPDRHPDARIDMPTREDQALIYRLSGDRNPLHSDPWFATQLAGFPKPILHGLCTYGVAGRALVAELGGGVAANITSIAARFTKPVFPGETLSTVIWRTEPGRAVFRTEVAGSDGAEARVVLDDGAVEYVAG
3KHP Chain:B ((22-310))
MAIDPNSIGAVTEPMLFEWTDRDTLLYAIGVGAGTGDLAFTTENSHGIDQQVLPTYAVICCPAFGAAAKVGTFNPAALLHGSQGIRLHAPLPAAGKLSVVTEVADIQDKGEGKNAIVVLRGRGCDPESGSLVAETLTTLVLRGQGGFGGARGERPAAPEFPDRHPDARIDMPTREDQALIYRLSGDRNPLHSDPWFATQLAGFPKPILHGLCTYGVAGRALVAELGGGVAANITSIAARFTKPVFPGETLSTVIWRTEPGRAVFRTEVAG----EARVVLDDGAVEYVA-
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) -147381 for 2419 contacts (-60.9/contact) +
2D Compatibility (PS) -30200 + (NN) -13788 + (LL) -304
1D Compatibility (HY) -35200 + (ID) 14250
Total energy: -241123.0 ( -99.68 by residue)
QMean score : 0.498
(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
: