Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
APEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKVVNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSFLQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPEYLITYQIMKPEAPS
4KRS Chain:A ((8-210))
APEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKVVNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSFLQFSTIKMAHAPPGHHSVIGR------AYAEYVIYRGEQAYPEYLITYQIMKPE---
General information:
TITO was launched using:
RESULT:
Template:
4KRS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -62380 for 1542 contacts (-40.5/contact) +
2D Compatibility (PS) -21690 + (NN) -10034 + (LL) -76
1D Compatibility (HY) -26000 + (ID) 9800
Total energy: -129980.0 ( -84.29 by residue)
QMean score : 0.449
(partial model without unconserved sides chains):
PDB file :
Tito_4KRS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KRS-query.scw
PDB file :
Tito_Scwrl_4KRS.pdb
: