Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LKLVLMGLPGAGKGTQAEQIVEKYNIPHISTGDMFRAAMKNNTELGRKAKSFMDNGDLVPDEVTNGIVRERLSEDDAKDGFLLDGFPRTVEQAQELENILSDLGTELDAVINIDVEKDVLMKRLTGRWICRTCGKTYHEIYNPPKVPGKCDLDGGELYQRDDDKKETVEKRLNVNMKQTKPLLDFYSEKGKLHN-----INGEQEIKDVFVDVEKILASF
2ECK Chain:B ((1-213))
MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFPRTIPQA----DAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKRLVEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKIL---
General information:
TITO was launched using:
RESULT:
Template:
2ECK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -43439 for 1604 contacts (-27.1/contact) +
2D Compatibility (PS) -22598 + (NN) -12522 + (LL) 752
1D Compatibility (HY) -16400 + (ID) 4950
Total energy: -99157.0 ( -61.82 by residue)
QMean score : 0.467
(partial model without unconserved sides chains):
PDB file :
Tito_2ECK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2ECK-query.scw
PDB file :
Tito_Scwrl_2ECK.pdb
: