Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVHLTRIYTRTGDDGTTGLSDMSRVAKTDARLVAYADCDEANAAIGAALA--LGHPDTQITDVLRQIQNDLFDAGADLSTPIVENPKHPPLRIAQSYIDRLEGWCDAYNAGLPALKSFVLPGGSPLSALLHVARTVVRRAERSAWAAVDAHPE-GVSVLPAKYLNRLSDLLFILSRVANPDGDVLWRPGGDRTAS
3KE5 Chain:C ((23-187))
-------LYTKTGDKGTTSVIG-GRVDKDDIRVEAYGTIDEANSHIGYAMTKLQGGAFIDIYNELENIQHELFDCGGDLA--IVE--QKIPYKVTIVMVESLERKIDLYIEEAPPLERFILPGGSEAAATIHIARTVVRRAERS---IVSLQKEVKINEVVLKYVNRLSDYLFAIARVIN----------------
General information:
TITO was launched using:
RESULT:
Template:
3KE5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -74640 for 1212 contacts (-61.6/contact) +
2D Compatibility (PS) -17671 + (NN) -10003 + (LL) 1128
1D Compatibility (HY) -13600 + (ID) 3800
Total energy: -118586.0 ( -97.84 by residue)
QMean score : 0.384
(partial model without unconserved sides chains):
PDB file :
Tito_3KE5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KE5-query.scw
PDB file :
Tito_Scwrl_3KE5.pdb
: