Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVKERLGKDDCERGFLLDGFPRTVAQAEALEEILEEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVSKRLEVNMKQTQPLLDFYSEKGYLANVNGQQDIQDVYADVKDLLGGLKK
3BE4 Chain:A ((6-217))
HNLILIGAPGSGKGTQCEFIKKEYGLAHLSTGDMLREAIKNG--IGLEAKSIIESGNFVGDEIVLGLVKEKFDLGVCVNGFVLDGFPRTIPQAEGLAKILSEIGDSLTSVIYFEIDDSEIIERISGRCTHPASGRIYHVKYNPPKQPGIDDVTGEPLVWRDDDNAEAVKVRLDVFHKQTAPLVKFYEDLGILKRVNAKLPPKEVTEQIKKIL-----
General information:
TITO was launched using:
RESULT:
Template:
3BE4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77091 for 1625 contacts (-47.4/contact) +
2D Compatibility (PS) -23338 + (NN) -17232 + (LL) -128
1D Compatibility (HY) -18400 + (ID) 5050
Total energy: -141239.0 ( -86.92 by residue)
QMean score : 0.546
(partial model without unconserved sides chains):
PDB file :
Tito_3BE4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BE4-query.scw
PDB file :
Tito_Scwrl_3BE4.pdb
: