Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVKIGVCGPVGSGKTALIEALTRHMSKDYDMAVITNDIYTKEDAEFMCKNSVMPRDRIIGVETGGCPHTAIREDASMNLEAVEEMHGRFPNLELLLIESGGDNLSATFNPELADFT-IFVIDVAEGDKIPRKGGPGITRS-DLLVINKIDLAPYVGADLKVMERDSKKMRGEKPFIFTNIRAKEGLDDVIAWIKRNALLED
2HF9 Chain:A ((45-221))
-------GAIGSGKTLLIEKLIDNLKDKYKIACIAGDVIAKFDAERMEKHGA----KVVPLNTGKECHL----DAHLVGHALEDLN--LDEIDLLFIENVG-NLICPADFDLGTHKRIVVISTTEGDDTIEKH-PGIMKTADLIVINKIDLADAVGADIKKMENDAKRINPDAEVVLLSLKTMEGFDKVLEFIEKSVKEVK
General information:
TITO was launched using:
RESULT:
Template:
2HF9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -65842 for 1406 contacts (-46.8/contact) +
2D Compatibility (PS) -19432 + (NN) -11687 + (LL) 1068
1D Compatibility (HY) -15600 + (ID) 3450
Total energy: -114943.0 ( -81.75 by residue)
QMean score : 0.443
(partial model without unconserved sides chains):
PDB file :
Tito_2HF9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HF9-query.scw
PDB file :
Tito_Scwrl_2HF9.pdb
: