Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKDLKGLYAALLVPFDENGQVNEQGLKQIAQNAIETEELDGLYVNGSSGENFLLNTEQKKQVFKVAKEAVGDKVKLIAQVGSLDLNEAIELGKYATELGYDALSAVTPFYYPFTFEEIRDYYFDIIEATQNNMIIYAIPDLTGVNISIEQFSELFNHEKIVGVKYTAPNFFLLERIRKAFPDKLILSGFDEMLVQATISGVDGAIGSTYNVNGRRARKIFDLARQGQIQEAYQLQHDSNDIIETVLSMGIYPTLKEILRHRDIDAGLPKRPFKPFNEAHRQTLDQLIAKYDL
4AHQ Chain:A ((2-293))
-NKDLKGLYAALLVPFDENGQVNEQGLKQIAQNAIETEELDGLYVNGSSGENFLLNTEQKKQVFKVAKEAVGDKVKLIAQVGSLDLNEAIELGKYATELGYDALSAVTPFYYPFTFEEIRDYYFDIIEATQNNMIIYAIPDLTGVNISIEQFSELFNHEKIVGVCYTAPNFFLLERIRKAFPDKLILSGFDEMLVQATISGVDGAIGSTYNVNGRRARKIFDLARQGQIQEAYQLQHDSNDIIETVLSMGIYPTLKEILRHRGIDAGLPKRPFKPFNEAHRQTLDQLIAKYDL
General information:
TITO was launched using:
RESULT:
Template:
4AHQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -156723 for 2589 contacts (-60.5/contact) +
2D Compatibility (PS) -32177 + (NN) -15553 + (LL) 208
1D Compatibility (HY) -42000 + (ID) 14500
Total energy: -260745.0 ( -100.71 by residue)
QMean score : 0.599
(partial model without unconserved sides chains):
PDB file :
Tito_4AHQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AHQ-query.scw
PDB file :
Tito_Scwrl_4AHQ.pdb
: