Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLVLMGLPGAGKGTQGERIVEDYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVKERLGKDDCERGFLLDGFPRTVAQAEALEEILEEYGKPIDYVINIEVDKDVLMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGGELYQRADDNEETVSKRLEVNMKQTQPLLDFYSEKGYLANVNGQQDIQDVYADVKDLLGGLKK
2BBW Chain:A ((28-235))
LRAVILGPPGSGKGTVCQRIAQNFGLQHLSSGHFLRENIKASTEVGEMAKQYIEKSLLVPDHVITRLMMSELEN-RRGQHWLLDGFPRTLGQAEALDKI-----CEVDLVISLNIPFETLKDRLSRRWIHPPSGRVYNLDFNPPHVHGIDDVTGEPLVQQEDDKPEAVAARLRQYKDVAKPVIELYKSRGVLHQFSGTET-NKIWPYVYTLFSNK--
General information:
TITO was launched using:
RESULT:
Template:
2BBW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76033 for 1525 contacts (-49.9/contact) +
2D Compatibility (PS) -22750 + (NN) -14876 + (LL) 560
1D Compatibility (HY) -16000 + (ID) 3850
Total energy: -132949.0 ( -87.18 by residue)
QMean score : 0.551
(partial model without unconserved sides chains):
PDB file :
Tito_2BBW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BBW-query.scw
PDB file :
Tito_Scwrl_2BBW.pdb
: