Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LKLVLMGLPGAGKGTQAEQIVEKYNIPHISTGDMFRAAMKNNTELGRKAKSFMDNGDLVPDEVTNGIVRERLSEDDAKDGFLLDGFPRTVEQAQELENILSDLGTELDAVINIDVEKDVLMKRLTGRWICRTCGKTYHEIYNPPKVPGKCDLDGGELYQRDDDKKETVEKRLNVNMKQTKPLLDFYSEKGKLHN-----INGEQEIKDVFVDVEKILASF
3X2S Chain:A ((1-214))
MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDCGKLVTDELVIALVKERIAQEDSRNGFLLDGFPRTIPQA----DAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKRLCEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKILG--
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) -40555 for 1656 contacts (-24.5/contact) +
2D Compatibility (PS) -22692 + (NN) -13644 + (LL) 608
1D Compatibility (HY) -16400 + (ID) 4950
Total energy: -97633.0 ( -58.96 by residue)
QMean score : 0.452
(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
: