Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVQATYASISLPGISSVEDVLEDARFGKLFILVDDENRENEGDLIVLAEKLKPEHVAFMVRYGTGIVFLAMTRLHMGRLGLEFMRRSNIDEKLTPHTAFTTSIDARYGIATGVSAHDRTHTILTAIDGKSTQDDIITPGHVFPIIANDGGVLARNGHTEASVEIAKLIGYNHAAVGCELVNDDGSMMRLPELLKFAEQHNIKLTTIDKLIRYIKKLS
4P77 Chain:A ((33-228))
-------------ITRVENALQALREGRGVLLLDDEDRENEGDIIYAVESLTTAQMALMIRECSGIVCLCLTEAQADRLALPPMVVNNN--N---QTAFTVSIEAKHGVTTGVSAQDRVTTIKTAANPQAKPEDLARPGHVFPLRARAGGVLARRGHTEGTVDLMQMAGLQPAGVLCELTNPDGSMAKTPEIIEFGKLHNMPVLTIEDMVQYRIQFD
General information:
TITO was launched using:
RESULT:
Template:
4P77.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137426 for 1644 contacts (-83.6/contact) +
2D Compatibility (PS) -20961 + (NN) -5211 + (LL) 1080
1D Compatibility (HY) -13200 + (ID) 4450
Total energy: -180168.0 ( -109.59 by residue)
QMean score : 0.448
(partial model without unconserved sides chains):
PDB file :
Tito_4P77.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4P77-query.scw
PDB file :
Tito_Scwrl_4P77.pdb
: