Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
METLLSFEKVYKDYPSGPSIIHALKETNFEAKKGELIAIVGPSGSGKSTLLSLAGALLTPTGGTISINGKSVGNLSSKEQTALRLEEIGFIFQAAHLVPYLHVKDQISFIGKMAGKSAAELEKDTASLLSQLGISDRANFYPK-----------DLSGGQKQRVAIARALINQPSVILADEPTASLDTERSREVVELIRNEVVQTSRTAIMVTHDERMLDLVN--HVYRMEDGILTQES
3NHB Chain:A ((54-268))
----IEFENVHFSYAD-R---ETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVT---QASLR-SHIGVVPQDTVLFNDT-IADNIRYGRVTAGNDEVEAAAQAA------GIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAK--VCANRTTIVVAH--RLSTVVNADQILVIKDGCIVE--
General information:
TITO was launched using:
RESULT:
Template:
3NHB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85685 for 1559 contacts (-55.0/contact) +
2D Compatibility (PS) -21664 + (NN) -5394 + (LL) 2100
1D Compatibility (HY) -16000 + (ID) 3650
Total energy: -130293.0 ( -83.57 by residue)
QMean score : 0.485
(partial model without unconserved sides chains):
PDB file :
Tito_3NHB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NHB-query.scw
PDB file :
Tito_Scwrl_3NHB.pdb
: