Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
APEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKVVNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSFLQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPEYLITYQIMKPEAPS
4BUV Chain:A ((37-239))
SPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVCNKKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRVTLGKSFLQFSAM--AHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYLITYQIMRPE---
General information:
TITO was launched using:
RESULT:
Template:
4BUV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -78562 for 1602 contacts (-49.0/contact) +
2D Compatibility (PS) -22252 + (NN) -11689 + (LL) 248
1D Compatibility (HY) -24800 + (ID) 8950
Total energy: -146005.0 ( -91.14 by residue)
QMean score : 0.471
(partial model without unconserved sides chains):
PDB file :
Tito_4BUV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BUV-query.scw
PDB file :
Tito_Scwrl_4BUV.pdb
: