Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVKERLGKDDCERGFLLDGFPRTVAQAEALEEILEEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVSKRLEVNMKQTQPLLDFYSEKGYLAN-----VNGQQDIQDVYADVKDLLGGLKK
4X8O Chain:A ((1-214))
MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFPRTIPQADAMKEA----GINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKRLVEWHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKILG----
General information:
TITO was launched using:
RESULT:
Template:
4X8O.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -60547 for 1632 contacts (-37.1/contact) +
2D Compatibility (PS) -23239 + (NN) -16271 + (LL) 608
1D Compatibility (HY) -16800 + (ID) 5150
Total energy: -121399.0 ( -74.39 by residue)
QMean score : 0.544
(partial model without unconserved sides chains):
PDB file :
Tito_4X8O.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4X8O-query.scw
PDB file :
Tito_Scwrl_4X8O.pdb
: