Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
APEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKVVNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSFLQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPEYLITYQIMKPEAPS
4BUI Chain:A ((37-239))
SPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVCNKKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRVTLGKSFLQFSAM--AHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYLITYQIMRPE---
General information:
TITO was launched using:
RESULT:
Template:
4BUI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -78397 for 1605 contacts (-48.8/contact) +
2D Compatibility (PS) -22250 + (NN) -11989 + (LL) 248
1D Compatibility (HY) -24800 + (ID) 8950
Total energy: -146138.0 ( -91.05 by residue)
QMean score : 0.499
(partial model without unconserved sides chains):
PDB file :
Tito_4BUI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BUI-query.scw
PDB file :
Tito_Scwrl_4BUI.pdb
: