Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTQDISLSFYKPEHLPELQSFTLTNDDK--RFTS----LPKEVLSQALGIQDRYPVVILKDDLPVGFFILHASKETLASYSNNPFALLLSSLSLTAVHHGKGYAKKAMLLLPAFVSGYFPWCDEIILAVNHLNIRAKHLYMKSGFLDKGRRRI----GPLGEQLILHHFL
3KKW Chain:A ((10-180))
-HMQLSHRPAETGDLETVAGFPQDRDELFYCYPKAIWPFSVAQLAAAIAER-RGSTVAVHDGQVLGFANFYQW-Q-------HGDFCALGNMMVAPAARGLGVARYLIGVMENLAREQ-YKARLMKISCFNANAAGLLLYTQLGYQPRAIAERHDPDGRRVALIQMDKPL
General information:
TITO was launched using:
RESULT:
Template:
3KKW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117246 for 1122 contacts (-104.5/contact) +
2D Compatibility (PS) -16303 + (NN) -7491 + (LL) 656
1D Compatibility (HY) -800 + (ID) 1050
Total energy: -142234.0 ( -126.77 by residue)
QMean score : 0.499
(partial model without unconserved sides chains):
PDB file :
Tito_3KKW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KKW-query.scw
PDB file :
Tito_Scwrl_3KKW.pdb
: