Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRIGQGYDVHKLAYDRDLIIGGVKIPYEKGLLGHSDADVLLHAITDAIIGAIGAGDIGHFFPDTDMVFKDADSAELLAEIWQKVEADGFRLGNLDATIIAEKPKMAPYVEQMKLRIAELLHADSAQVNVKATTTEKLGFTGREEGIASLAVVLLEK
3K2X Chain:B ((24-179))
-FRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLG--DADVLLHAITDALFGAAALGDIGRHFSDTDPR---ADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVVR
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) -112379 for 1256 contacts (-89.5/contact) +
2D Compatibility (PS) -16747 + (NN) -9961 + (LL) 344
1D Compatibility (HY) -12000 + (ID) 4350
Total energy: -155093.0 ( -123.48 by residue)
QMean score : 0.590
(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
: