Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVQATYASISLPGISSVEDVLEDARFGKLFILVDDENRENEGDLIVLAEKLKPEHVAFMVRYGTGIVFLAMTRLHMGRLGLEFMRRSNIDEKLTPHTAFTTSIDARYGIATGVSAHDRTHTILTAIDGKSTQDDIITPGHVFPIIANDGGVLARNGHTEASVEIAKLIGYNHAAVGCELVNDDGSMMRLPELLKFAEQHNIKLTTIDKLIRYIKKLS
4P8E Chain:A ((33-228))
-------------ITRVENALQALREGRGVLLLDDEDRENEGDIIYAVESLTTAQMALMIRECSGIVCLCLTEAQADRLALPPMVVNNNSAN---QTAFTVSIEAKHGVTTGVSAQDRVTTIKTAANPQAKPEDLARPGHVFPLRARAGGVLARRGHTEGTVDLMQMAGLQPAGVLCELTNPDGSMAKTPEIIEFGKLHNMPVLTIEDMVQYRIQFD
General information:
TITO was launched using:
RESULT:
Template:
4P8E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -133934 for 1668 contacts (-80.3/contact) +
2D Compatibility (PS) -21184 + (NN) -5432 + (LL) 1052
1D Compatibility (HY) -13200 + (ID) 4450
Total energy: -177148.0 ( -106.20 by residue)
QMean score : 0.461
(partial model without unconserved sides chains):
PDB file :
Tito_4P8E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4P8E-query.scw
PDB file :
Tito_Scwrl_4P8E.pdb
: