Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
APEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKVVNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSFLQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPEYLITYQIMKPEAPS
4N3R Chain:B ((9-211))
APEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKVVNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSFLQFSTMKMAHAPPGHHSVIGRP------YAEYVIYRGEQAYPEYLITYQIMKPE---
General information:
TITO was launched using:
RESULT:
Template:
4N3R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -69313 for 1552 contacts (-44.7/contact) +
2D Compatibility (PS) -21700 + (NN) -10471 + (LL) 208
1D Compatibility (HY) -26000 + (ID) 9850
Total energy: -137126.0 ( -88.35 by residue)
QMean score : 0.447
(partial model without unconserved sides chains):
PDB file :
Tito_4N3R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4N3R-query.scw
PDB file :
Tito_Scwrl_4N3R.pdb
: