Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
APEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKVVNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSFLQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPEYLITYQIMKPEAPS
4K4E Chain:A ((9-211))
APEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKVVNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSFLQFSTMKMAHAPPGHHSVIGRPS----AYAEYVIYRGEQAYPEYLITYQIMKPE---
General information:
TITO was launched using:
RESULT:
Template:
4K4E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -70897 for 1560 contacts (-45.4/contact) +
2D Compatibility (PS) -21855 + (NN) -10092 + (LL) 92
1D Compatibility (HY) -26000 + (ID) 9950
Total energy: -138702.0 ( -88.91 by residue)
QMean score : 0.448
(partial model without unconserved sides chains):
PDB file :
Tito_4K4E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4K4E-query.scw
PDB file :
Tito_Scwrl_4K4E.pdb
: