Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLRVENLSIRRGGKTVLEGLELELRPGEMLGVLGPNGAGKSTLLGALCGELEPAEGLVLLDERGLDDWPGVARAQRLAVLPQSSSLGFAFPVEAVVGFGRLPHSSGRERDVQIVAEALAAADASHLAGRSYLALSGGERQRVHLARVLAQLWP--GEPGQVLLLDEPTSALDPLHQHTTLQAVHDFARRGASVLVILHDLNLAARYCDRLLLLQNGRPHLLGTPEEVLRPEPLRAVFGLEVLVQRHPERGHPLIVAR
4DBL Chain:I ((22-247))
----------------------EVRAGEILHLVGPNGAGKSTLLARMAG-MTSGKGSIQFAGQPLEAWSATKLALHRAYLSQQQTPPFATPVWHYLTLHQ--HDKTRTELLNDVAGALALDDK---LGRSTNQLSGGEWQRVRLAAVVLQITPQANPAGQLLLLDQPMNSLDVAQQSALDKILSALSQQGLAIVMSSHDLNHTLRHAHRAWLLKGGKMLASGRREEVLTPPNLAQAYGMN--FRRLDIEGHRMLIS-
General information:
TITO was launched using:
RESULT:
Template:
4DBL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -148374 for 1732 contacts (-85.7/contact) +
2D Compatibility (PS) -24511 + (NN) -14307 + (LL) 2580
1D Compatibility (HY) -12000 + (ID) 4150
Total energy: -200762.0 ( -115.91 by residue)
QMean score : 0.435
(partial model without unconserved sides chains):
PDB file :
Tito_4DBL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DBL-query.scw
PDB file :
Tito_Scwrl_4DBL.pdb
: