Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRIAIEKIIGLLKNQSSKESNVKIHRLAYITNSKFDGNNYIDRWCKIRNSHIGEYSYIGF--GSDFNN------------VEVGRYCSISSDVKIGLGKHPTHFFSSSPIFYSNNNPFNIKQKFIDFNDQPSRTTIKNDVWIGANVIIMDGLTINTGAVIAAGSVVTKNVGAYEVVGGVPAKVIKKRFDNKTIEKLLESKWWEKTPDKLKGFSVEYLNKKDT
1KHR Chain:E ((26-182))
---------------------------------------------KLENVEVGEYSYYDSKNGETFDKQILYHYPILNDKLKIGKFCSIGPGVTIIMNGANHRMDGSTYPFNLFGNGWEKHMPKLDQLPIKGDTIIGNDVWIGKDVVIMPGVKIGDGAIVAANSVVVKDIAPYMLAGGNPANEIKQRFDQDTINQLLDIKWW--------------------
General information:
TITO was launched using:
RESULT:
Template:
1KHR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -73594 for 959 contacts (-76.7/contact) +
2D Compatibility (PS) -15818 + (NN) -11844 + (LL) 4036
1D Compatibility (HY) -12800 + (ID) 2850
Total energy: -112870.0 ( -117.70 by residue)
QMean score : 0.486
(partial model without unconserved sides chains):
PDB file :
Tito_1KHR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KHR-query.scw
PDB file :
Tito_Scwrl_1KHR.pdb
: