Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSMDWETFLDPYIQTVGELKIKLRGIRKQFRKQNRHSPIEFVTGRVKSVESIQEKMVLRGISEENLAQDLQDIAGLRIMVQFVDDVDEVLALLRKRHDMTVVQERDYITHMKSSGYRSYHVVVEYPVDTIDGQKKVLAEIQIRTLAMNFWATIEHSLNYKYQGDFPEEIKQRLEKTAKIALELDEEMRKIREDIREAQLLFDPLNRKLSDGVGNSDDTDEFYR
2BE3 Chain:A ((5-206))
-TLEWEEFLDPYIQAVGELKIKLRGIRKQYRKQNKHSPIEFVTGRVKPIESIKEKMARRGITYATLEHDLQDIAGLRVMVQFVDDVKEVVDILHKRQDMRIIQERDYITHRKASGYRSYHVVVEYTVDTINGAKTILAEIQIRTLAMNFWATIEHSLNYKYQGDFPDEIKKRLEITARIAHQLDEEMGEIRDDIQEAQALFDP--------------------
General information:
TITO was launched using:
RESULT:
Template:
2BE3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -83255 for 1418 contacts (-58.7/contact) +
2D Compatibility (PS) -22197 + (NN) -11775 + (LL) 532
1D Compatibility (HY) -25600 + (ID) 7800
Total energy: -150095.0 ( -105.85 by residue)
QMean score : 0.516
(partial model without unconserved sides chains):
PDB file :
Tito_2BE3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BE3-query.scw
PDB file :
Tito_Scwrl_2BE3.pdb
: