Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPVKDFMTKKLVYVSPDTTVAEAADLLREHHLRRLPVV-ENDQLLGLVTEGTMAEAQPSKATSLSIYEMNYLLNKTKIRDIMIKDIVTVSQYASLEDAIYLMMSRKIGVLPVVDN-GQLYGIITDRDVFKAFLEIAGYGQEGYRLVILADEGIGVLSKVLNRLSSANLSVKRLVIIERKAGKKAVEIQLEGYADKDVLKQELVFDDVIVETLEKTVKKPLS
3KPC Chain:A ((5-120))
--VKDILSKPPITAHSNISIMEAAKILIKHNINHLPIVDEHGKLVGIITSWDIAKA--------------LAQNKKTIEEIMTRNVITAHEDEPVDHVAIKMSKYNISGVPVVDDYRRVVGIVTSEDISRLFGGKK-------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3KPC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -90321 for 822 contacts (-109.9/contact) +
2D Compatibility (PS) -12812 + (NN) -6279 + (LL) 8372
1D Compatibility (HY) -8800 + (ID) 1750
Total energy: -111590.0 ( -135.75 by residue)
QMean score : 0.531
(partial model without unconserved sides chains):
PDB file :
Tito_3KPC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KPC-query.scw
PDB file :
Tito_Scwrl_3KPC.pdb
: