Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARNYYEILEY---VAPEEINKAYKRLGLKCHPDKLLPKKRKISRIVKKAINGAALSKLELEEMQSL
2OCH Chain:A ((4-60))
-ETGYYDVLGVKPDASDNELKKAYRKMALKFHPDKNPDGAEQFKQI-SQAYE--VLSDEKKRQIYDQ
General information:
TITO was launched using:
RESULT:
Template:
2OCH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -16790 for 318 contacts (-52.8/contact) +
2D Compatibility (PS) -5595 + (NN) -1750 + (LL) 372
1D Compatibility (HY) -3600 + (ID) 850
Total energy: -28213.0 ( -88.72 by residue)
QMean score : 0.730
(partial model without unconserved sides chains):
PDB file :
Tito_2OCH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OCH-query.scw
PDB file :
Tito_Scwrl_2OCH.pdb
: