Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVILLGAPGAGKGTQARFITEKFGIPQISTGDMLRAAVKAGSPLGQQVKGVMDSGGLVSDDIIIAL----IKERITEADCAKGFLFDGFPRTIPQAEALKD-AGVTIDHVVEIAVDDEEIVSRI--AGRRVHPASGRVYHTEHNPPKVAGKDDVTGEELIQREDDKEETVRHRLSVYHSQTKPLVDFYQKLSAAEGTPKYHSIAGVGSVEQITAKVLSALS
1AKE Chain:A ((1-214))
MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIA-QEDCR---NGFLLDGFPRTIPQADAMKEA-GINVDYVLEFDVPDELIVDRIVG--RRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKRLVEYHQMTAPLIGYYSK-EAEAGNTKYAKVDGTKPVAEVRADLEKILG
General information:
TITO was launched using:
RESULT:
Template:
1AKE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -72855 for 1594 contacts (-45.7/contact) +
2D Compatibility (PS) -22754 + (NN) -12671 + (LL) 520
1D Compatibility (HY) -20400 + (ID) 6400
Total energy: -134560.0 ( -84.42 by residue)
QMean score : 0.574
(partial model without unconserved sides chains):
PDB file :
Tito_1AKE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1AKE-query.scw
PDB file :
Tito_Scwrl_1AKE.pdb
: