Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEMMIKKRIKQVKKGDQDAFADIVDIYKDKIYQLCYRMLGNVHEAEDIAQEAFIRAYVNIDSFDINRKFSTWLYRIATNLTIDRIRKKKPDYYLDAEVAGTEGLTMYSQIVADGVLPEDAVVSLELSNTIQQKILKLPDKYRTVIVLKYIDELSLIEIGEILNIPVGTVKTRIHRGREALRKQLRDL
2MAO Chain:A ((7-93))
----DQVLVERVQKGDQKAFNLLVVRYQHKVASLVSRYVPS-GDVPDVVQEAFIKAYRALDSFRGDSAFYTWLYRIAVNTAKNYLVAQGRRL-----------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2MAO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -57096 for 581 contacts (-98.3/contact) +
2D Compatibility (PS) -9477 + (NN) -4771 + (LL) 8920
1D Compatibility (HY) -6400 + (ID) 1600
Total energy: -70424.0 ( -121.21 by residue)
QMean score : 0.785
(partial model without unconserved sides chains):
PDB file :
Tito_2MAO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2MAO-query.scw
PDB file :
Tito_Scwrl_2MAO.pdb
: