Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVLLLGPPGAGKGTQAVKLAEKLGIPQISTGELFRRNIEEGTKLGVEAKRYLDAGDLVPSDLTNELVDDRLNNPDAANGFILDGYPRSVEQAKALHEMLERRGTDIDAVLEFRVSEEVLLERLKGR-------------------------------GRADDTDDVILNRMKVYRDETAPLLEYYRDQLKTVDAVGTMDEVFARALRALGK
3X2S Chain:A ((1-182))
MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDCGKLVTDELVIALVKERIAQEDSRNGFLLDGFPRTIPQADAMKEA----GINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKRLCEYHQMTAPLIGYY--------------------------
General information:
TITO was launched using:
RESULT:
Template:
3X2S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -43999 for 1146 contacts (-38.4/contact) +
2D Compatibility (PS) -16826 + (NN) -13950 + (LL) 2684
1D Compatibility (HY) -14800 + (ID) 3650
Total energy: -90541.0 ( -79.01 by residue)
QMean score : 0.577
(partial model without unconserved sides chains):
PDB file :
Tito_3X2S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3X2S-query.scw
PDB file :
Tito_Scwrl_3X2S.pdb
: