Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVQATYASISLPGISSVEDVLEDARFGKLFILVDDENRENEGDLIVLAEKLKPEHVAFMVRYGTGIVFLAMTRLHMGRLGLEFMRRSNIDEKLTPHTAFTTSIDARYGIATGVSAHDRTHTILTAIDGKSTQDDIITPGHVFPIIANDGGVLARNGHTEASVEIAKLIGYNHAAVGCELVNDDGSMMRLPELLKFAEQHNIKLTTIDKLIRYIKKLS
4P6C Chain:B ((34-229))
-------------ITRVENALQALREGRGVLLLDDEDRENEGDIIYAVESLTTAQMALMIRECSGIVCLCLTEAQADRLALPPMVVNNNSAN---QTAFTVSIEAKHGVTTGVSAQDRVTTIKTAANPQAKPEDLARPGHVFPLRARAGGVLARRGHTEGTVDLMQMAGLQPAGVLCELTNPDGSMAKTPEIIEFGKLHNMPVLTIEDMVQYRIQFD
General information:
TITO was launched using:
RESULT:
Template:
4P6C.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131866 for 1667 contacts (-79.1/contact) +
2D Compatibility (PS) -21254 + (NN) -6404 + (LL) 1052
1D Compatibility (HY) -13200 + (ID) 4450
Total energy: -176122.0 ( -105.65 by residue)
QMean score : 0.428
(partial model without unconserved sides chains):
PDB file :
Tito_4P6C.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4P6C-query.scw
PDB file :
Tito_Scwrl_4P6C.pdb
: