Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVKERLGKDDCERGFLLDGFPRTVAQAEALEEILEEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVSKRLEVNMKQTQPLLDFYSEKGYLAN-----VNGQQDIQDVYADVKDLLGGLKK
1E4Y Chain:A ((1-214))
MRIILLGALVAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFPRTIPQADAMKEA----GINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKRLVEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKILG----
General information:
TITO was launched using:
RESULT:
Template:
1E4Y.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -59519 for 1593 contacts (-37.4/contact) +
2D Compatibility (PS) -22980 + (NN) -16319 + (LL) 608
1D Compatibility (HY) -16800 + (ID) 5100
Total energy: -120110.0 ( -75.40 by residue)
QMean score : 0.450
(partial model without unconserved sides chains):
PDB file :
Tito_1E4Y.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1E4Y-query.scw
PDB file :
Tito_Scwrl_1E4Y.pdb
: