Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVKERLGKDDCERGFLLDGFPRTVAQAEALEEILEEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVSKRLEVNMKQTQPLLDFYSEKGYLAN-----VNGQQDIQDVYADVKDLLGGLKK
1AKE Chain:B ((1-214))
MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFPRTIPQADAMKEA----GINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKRLVEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKILG----
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) -56379 for 1626 contacts (-34.7/contact) +
2D Compatibility (PS) -22987 + (NN) -15150 + (LL) 608
1D Compatibility (HY) -16800 + (ID) 5150
Total energy: -115858.0 ( -71.25 by residue)
QMean score : 0.518
(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
: