Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAEEFLNTHNASILLSAANKSHYPQDDLPEVALAGRSNVGKSSFINTLLGRKNLARTSSKPGKTQL--LNFYNIDD--KLRFVDVPGYGYAKVSKTERAKWGKMIEEYLVTRDNLRVVVSLVDFRHDPSADDIQIYE-FLKYYEIPVIIVATKADKI-PRGKWNKHESSIKKKLNFDKKDHFIVFSSVDRTGLDESWDTILSEL
3R9W Chain:A ((12-179))
------------------------------VAIVGKPNVGKSTLLNNLLGTK-VSIISPKAGTTRMRVLGVKNIPNEAQIIFLDTPGIYEPKKSDVLGHSMVEIAKQSLEEAD---VILFMIDATEGWRPRDEEIYQNFIKPLNKPVIVVINKIDKIGPAKNVLPLIDEIHKK--HPELTEIVPISALKGANLDELVKTILKYL
General information:
TITO was launched using:
RESULT:
Template:
3R9W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86165 for 1239 contacts (-69.5/contact) +
2D Compatibility (PS) -17633 + (NN) -6637 + (LL) 2008
1D Compatibility (HY) -12800 + (ID) 2750
Total energy: -123977.0 ( -100.06 by residue)
QMean score : 0.673
(partial model without unconserved sides chains):
PDB file :
Tito_3R9W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R9W-query.scw
PDB file :
Tito_Scwrl_3R9W.pdb
: