Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPVKDFMTKKLVYVSPDTTVAEAADLLREHHLRRLPVV-ENDQLLGLVTEGTMAEAQPSKATSLSIYEMNYLLNKTKIRDIMIKDIVTVSQYASLEDAIYLMMSRKIGVLPVVDN-GQLYGIITDRDVFKAFLEIAGYGQEGYRLVILADEGIGVLSKVLNRLSSANLSVKRLVIIERKAGKKAVEIQLEGYADKDVLKQELVFDDVIVETLEKTVKKPLS
3KPB Chain:A ((3-118))
--VKDILSKPPITAHSNISIMEAAKILIKHNINHLPIVDEHGKLVGIITSWDIAKALAQ--------------NKKTIEEIMTRNVITAHEDEPVDHVAIKMSKYNISGVPVVDDYRRVVGIVTSEDISRLFG----------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3KPB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85746 for 823 contacts (-104.2/contact) +
2D Compatibility (PS) -12485 + (NN) -4556 + (LL) 8964
1D Compatibility (HY) -9200 + (ID) 1750
Total energy: -104773.0 ( -127.31 by residue)
QMean score : 0.619
(partial model without unconserved sides chains):
PDB file :
Tito_3KPB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KPB-query.scw
PDB file :
Tito_Scwrl_3KPB.pdb
: