Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVKERLGKDDCERGFLLDGFPRTVAQAEALEEILEEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVSKRLEVNMKQTQPLLDFYSEKGYLAN-----VNGQQDIQDVYADVKDLLGGLKK
3X2S Chain:B ((1-214))
MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDCGKLVTDELVIALVKERIAQEDSRNGFLLDGFPRTIPQADAMKEA----GINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKRLCEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKILG----
General information:
TITO was launched using:
RESULT:
Template:
3X2S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -57158 for 1655 contacts (-34.5/contact) +
2D Compatibility (PS) -22893 + (NN) -14267 + (LL) 608
1D Compatibility (HY) -16000 + (ID) 5100
Total energy: -114810.0 ( -69.37 by residue)
QMean score : 0.473
(partial model without unconserved sides chains):
PDB file :
Tito_3X2S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3X2S-query.scw
PDB file :
Tito_Scwrl_3X2S.pdb
: