Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVKERLGKDDCERGFLLDGFPRTVAQAEALEEILEEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVSKRLEVNMKQTQPLLDFYSEKGYLAN-----VNGQQDIQDVYADVKDLLGGLKK
2ECK Chain:B ((1-214))
MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFPRTIPQADAMKEA----GINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKRLVEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKILG----
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) -54401 for 1610 contacts (-33.8/contact) +
2D Compatibility (PS) -23019 + (NN) -14804 + (LL) 608
1D Compatibility (HY) -16800 + (ID) 5150
Total energy: -113566.0 ( -70.54 by residue)
QMean score : 0.490
(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
: