Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVHLTRIYTRTGDDGTTGLSDMSRVAKTDARLVAYADCDEANAAIGAALALGHPDT--QITDVLRQIQNDLFDAGADLSTPIVENPKHPPLRIAQSYIDRLEGWCDAYNAGLPALKSFVLPGGSPLSALLHVARTVVRRAERSAWAAVDAHPEGVSVLPAKYLNRLSDLLFILSRVANPDG---DVLWRPGGDRTAS
3KE4 Chain:A ((31-200))
---------------GTTSVIGG-RVDKDDIRVEAYGTIDEANSHIGYAMTKLQGGAFIDIYNELENIQHELFDCGGDLAIVEQK----IPYKVTIVMVESLERKIDLYIEEAPPLERFILPGGSEAAATIHIARTVVRRAERSIVSLQKEV--KINEVVLKYVNRLSDYLFAIARVINARLQVKDVEYNRS------
General information:
TITO was launched using:
RESULT:
Template:
3KE4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -95872 for 1304 contacts (-73.5/contact) +
2D Compatibility (PS) -18220 + (NN) -11245 + (LL) 936
1D Compatibility (HY) -10800 + (ID) 3350
Total energy: -138551.0 ( -106.25 by residue)
QMean score : 0.380
(partial model without unconserved sides chains):
PDB file :
Tito_3KE4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KE4-query.scw
PDB file :
Tito_Scwrl_3KE4.pdb
: