Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVKERLGKDDCERGFLLDGFPRTVAQAEALEEILEEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVSKRLEVNMKQTQPLLDFYSEKGYLAN-----VNGQQDIQDVYADVKDLLGGLKK
4X8L Chain:B ((1-214))
MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFPRTIPQADAMKEA----GINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKRLVEYHQMTAALIGYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKILG----
General information:
TITO was launched using:
RESULT:
Template:
4X8L.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -55176 for 1622 contacts (-34.0/contact) +
2D Compatibility (PS) -23221 + (NN) -15925 + (LL) 608
1D Compatibility (HY) -16800 + (ID) 5100
Total energy: -115614.0 ( -71.28 by residue)
QMean score : 0.545
(partial model without unconserved sides chains):
PDB file :
Tito_4X8L.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4X8L-query.scw
PDB file :
Tito_Scwrl_4X8L.pdb
: