Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MYEKARQMMIEAHSGQVRKITGE-PYFSHPLNVARILR-RAGFREE-VVVAGLLHDAVEDTEMTDADIRATFGDEVADLVASHTENKTLSWEERKAHTIEQVRTGNLEEKALIVADKLDNLTSVKYALSSEGKSVWSYFKRGYDLQKWYNQGIKNNMEYGLNPSEIPPFFDEYARLVKWIFKK
3NQW Chain:B ((20-132))
------------HRQQRRKDPQETPYVNHVINVSTILSVEACITDEGVLMAALLHDVVEDTDASFEDVEKLFGPDVCGLVREVTDDKSLEKQERKRLQIENAAKSSCRAKLIKLADKLDNLRDLQ----------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3NQW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -12999 for 759 contacts (-17.1/contact) +
2D Compatibility (PS) -11817 + (NN) -6133 + (LL) 5028
1D Compatibility (HY) -8000 + (ID) 2300
Total energy: -36221.0 ( -47.72 by residue)
QMean score : 0.527
(partial model without unconserved sides chains):
PDB file :
Tito_3NQW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NQW-query.scw
PDB file :
Tito_Scwrl_3NQW.pdb
: