Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVILLGAPGAGKGTQARFITEKFGIPQISTGDMLRAAVKAGSPLGQQVKGVMDSGGLVSDDIIIALIKERITEADCAKGFLFDGFPRTIPQAEALKD----AGVTIDHVVEIAVDDEEIVSRIAGRRVHPASGRVYHTEHNPPKVAGKDDVTGEELIQREDDKEETVRHRLSVYHSQTKPLVDFYQKLSAAEGTPKYHSIAGVGSVEQITAKVLSALS
2CDN Chain:A ((21-199))
MRVLLLGPPGAGKGTQAVKLAEKLGIPQISTGELFRRNIEEGTKLGVEAKRYLDAGDLVPSDLTNELVDDRLNNPDAANGFILDGYPRSVEQAKALHEMLERRGTDIDAVLEFRVSEEVLLERLKGRGRA-------------------------------DDTDDVILNRMKVYRDETAPLLEYYRDQ--------LKTVDAVGTMDEVFARALRAL-
General information:
TITO was launched using:
RESULT:
Template:
2CDN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109667 for 1350 contacts (-81.2/contact) +
2D Compatibility (PS) -18943 + (NN) -4963 + (LL) 1336
1D Compatibility (HY) -16400 + (ID) 3700
Total energy: -152337.0 ( -112.84 by residue)
QMean score : 0.579
(partial model without unconserved sides chains):
PDB file :
Tito_2CDN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CDN-query.scw
PDB file :
Tito_Scwrl_2CDN.pdb
: