Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRIGQGYDVHKLAYDRDLIIGGVKIPYEKGLLGHSDADVLLHAITDAIIGAIGAGDIGHFFPDTDMVFKDADSAELLAEIWQKVEADGFRLGNLDATIIAEKPKMAPYVEQMKLRIAELLHADSAQVNVKATTTEKLGFTGREEGIASLAVVLLEK
3K14 Chain:B ((24-179))
-FRIGQGYDVHQLVPGRPLIIGGVTIPYERGLL---DADVLLHAITDALFGAAALGDIGRHFSDT------ADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVVR
General information:
TITO was launched using:
RESULT:
Template:
3K14.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111008 for 1224 contacts (-90.7/contact) +
2D Compatibility (PS) -16355 + (NN) -9753 + (LL) 496
1D Compatibility (HY) -12800 + (ID) 4250
Total energy: -153670.0 ( -125.55 by residue)
QMean score : 0.578
(partial model without unconserved sides chains):
PDB file :
Tito_3K14.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K14-query.scw
PDB file :
Tito_Scwrl_3K14.pdb
: