Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRIGHGYDVHRFGEGDFITLGGVRIPHKHGLVAHSDGDVLLHALSDALLGAAALGDIGKHFPDTDPRFKGADSRALLRHVVAIVAEKGWKVGNVDATIVAQAPKMAPHIETMRGLIAEDLGVAVDQVNVKATTTERLGFTGREEGIAVHAVALLMAR
3K2X Chain:B ((24-178))
FRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLG--DADVLLHAITDALFGAAALGDIGRHFSDTDPR---ADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVV--
General information:
TITO was launched using:
RESULT:
Template:
3K2X.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124363 for 1246 contacts (-99.8/contact) +
2D Compatibility (PS) -16601 + (NN) -11927 + (LL) 284
1D Compatibility (HY) -15200 + (ID) 4550
Total energy: -172357.0 ( -138.33 by residue)
QMean score : 0.557
(partial model without unconserved sides chains):
PDB file :
Tito_3K2X.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K2X-query.scw
PDB file :
Tito_Scwrl_3K2X.pdb
: