Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
SSSVWGVAFSPDGQTIASASDDKTVKLWNR---NGQLLQTLT--GHSSSVWGVAFSPDGQTIASASDDKTVKLWNRNG---QLLQTLTGHSSSVWGVAFSPDGQTIASASDDKTVKLWNRN-----GQLLQTLTGHSSSVWGVAFSPDGQTIASASDDKTVKLWNR-NG--QLLQTLTGHSSSVWGVAFS-PDGQ-TIASASDDKTVKLWNRNG---------QLLQTLTGH
2HES Chain:X ((15-247))
-EKIWSFDFSQG--ILATGSTDRKIKLVSVKYDDFTLIDVLDETAHKKAIRSVAWRPHTSLLAAGSFDSTVSIWAK--FEMDLLAIIE----EVKGVAWSNDGYYLATCSRDKSVWIWETDESGEEYECISVLQEHSQDVKHVIWHPSEALLASSSYDDTVRIWKDYDDDWECVAVLNGHEGTVWSSDFDKTEGVFRLCSGSDDSTVRVWKYMGDDEDDQQEWVCEAILPD-
General information:
TITO was launched using:
RESULT:
Template:
2HES.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -55209 for 1522 contacts (-36.3/contact) +
2D Compatibility (PS) -21307 + (NN) -12746 + (LL) -472
1D Compatibility (HY) -18000 + (ID) 3200
Total energy: -110934.0 ( -72.89 by residue)
QMean score : 0.526
(partial model without unconserved sides chains):
PDB file :
Tito_2HES.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HES-query.scw
PDB file :
Tito_Scwrl_2HES.pdb
: