Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNNGHLNQILLITDGCSNHGEDPLAMAAFAKEQGITVNVIGIMEENQIDPEAMKEVEGIALAGGGVHQVVYASQLSQTVQMVTKKAMTQTLQGVVNQELKQILGKNVEMEELSPEKRGEVMEVVDELGETVHLQVLVLVDTSASMAPKLPTVKEALIDLSVSLNSRIGNNEFAMCIFPGKKQEVELVLNWTPKLQSLSTLFAKLSTGGITPTGPAIREATLQFEKIRSRRGMLADDERRFDEFGM
3RAG Chain:A ((10-233))
-----IRQILVITDGCSNIGPDPVEAARRAHRHGIVVNVIGIVGRGDAGEQGYQEAHSIADAGGGMCRIVQPADISATAQMMTHQTMQMTLQQVVNQELLAVMGKS--TEDLPPADRARVMQVVEKLEDEVALHLVVCLDTSASMRDKIPTVREAVRDLALSLKVRSGPLAVSVIAFPGKGEEATRLVQPFSSEVNVAALEAELVARGGTPTGPAIDHAADLL--LSHARNVD------------
General information:
TITO was launched using:
RESULT:
Template:
3RAG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115897 for 1889 contacts (-61.4/contact) +
2D Compatibility (PS) -24418 + (NN) -11495 + (LL) 1008
1D Compatibility (HY) -16800 + (ID) 4800
Total energy: -172402.0 ( -91.27 by residue)
QMean score : 0.521
(partial model without unconserved sides chains):
PDB file :
Tito_3RAG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RAG-query.scw
PDB file :
Tito_Scwrl_3RAG.pdb
: