Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVQATYASISLPGISSVEDVLEDARFGKLFILVDDENRENEGDLIVLAEKLKPEHVAFMVRYGTGIVFLAMTRLHMGRLGLEFMRRSNIDEKLTPHTAFTTSIDARYGIATGVSAHDRTHTILTAIDGKSTQDDIITPGHVFPIIANDGGVLARNGHTEASVEIAKLIGYNHAAVGCELVNDDGSMMRLPELLKFAEQHNIKLTTIDKLIRYIKKLS
4P6D Chain:B ((33-228))
-------------ITRVENALQALREGRGVLLLDDEDRENEGDIIYAVESLTTAQMALMIRECSGIVCLCLTEAQADRLALPPM-------------AFTVSIEAKHGVTTGVSAQDRVTTIKTAANPQAKPEDLARPGHVFPLRARAGGVLARRGHTEGTVDLMQMAGLQPAGVLCELTNPDGSMAKTPEIIEFGKLHNMPVLTIEDMVQYRIQFD
General information:
TITO was launched using:
RESULT:
Template:
4P6D.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132973 for 1585 contacts (-83.9/contact) +
2D Compatibility (PS) -20436 + (NN) -6232 + (LL) 1536
1D Compatibility (HY) -13600 + (ID) 4350
Total energy: -176055.0 ( -111.08 by residue)
QMean score : 0.465
(partial model without unconserved sides chains):
PDB file :
Tito_4P6D.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4P6D-query.scw
PDB file :
Tito_Scwrl_4P6D.pdb
: