Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LKLVLMGLPGAGKGTQAEQIVEKYNIPHISTGDMFRAAMKNNTELGRKAKSFMDNGDLVPDEVTNGIVRERLSEDDAKDGFLLDGFPRTVEQAQELENILSDLGTELDAVINIDVEKDVLMKRLTGRWICRTCGKTYHEIYNPPKVPGKCDLDGGELYQRDDDKKETVEKRLNVNMKQTKPLLDFYSEKGKLHN-----INGEQEIKDVFVDVEKILASF
3HPR Chain:A ((1-214))
MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFPRTIPQA----DAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDGTGEELTTRKDDQEETVRKRLVEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKILG--
General information:
TITO was launched using:
RESULT:
Template:
3HPR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -47005 for 1633 contacts (-28.8/contact) +
2D Compatibility (PS) -22800 + (NN) -14321 + (LL) 608
1D Compatibility (HY) -15600 + (ID) 4950
Total energy: -104068.0 ( -63.73 by residue)
QMean score : 0.510
(partial model without unconserved sides chains):
PDB file :
Tito_3HPR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HPR-query.scw
PDB file :
Tito_Scwrl_3HPR.pdb
: