Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRTNKLKMRETMIAYAFLAPILLFFLIFVFAPMVMGFVTSFFNYSMTQFTFIGLANYNRMFHDSIFMKSLIN----TVIIVIGSVPVVVFFSLFVAANTYEKNVFSRSFYRCVFFLPVVTGSVAVTVVWKWIYDPMSGILNYILKSGHVIEQNISWLGDKHWALLAIIIILLTTSVGQP--IILYIAAMGNIDNSLCEAARVDGANEMQVFWQIKWPSLLPTTLYIAVITTINSFQCFALIQLLTSGGPNYSTST--------LMYYLYEKAFKLS---EYGYANTMGVFLAVMIALISFAQFKILGNDVEY
3PUX Chain:F ((260-503))
----------------------------------------------------GWKNFTRVFTDEGIQKPFLAIFVWTVVFSLITVFLTVAVGMVLACLVQWEALRGKAVYRVLLILPYAVPSFISILIFKGLFNQSFGEINMMLSALFGVKP--AWFSDPTTARTMLIIV--NTWLGYPYMMILCMGLLKAIPDDLYEASAMDGAGPFQNFFKITLPLLIKPLTPLMIASFAFNFNNFVLIQLLTNGGPDRLGTTTPAGYTDLLVNYTYRIAFEGGGGQDFGLAAAIATLIFLLVGALAI------------
General information:
TITO was launched using:
RESULT:
Template:
3PUX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152503 for 1490 contacts (-102.4/contact) +
2D Compatibility (PS) -23842 + (NN) -10210 + (LL) 7120
1D Compatibility (HY) -22800 + (ID) 3050
Total energy: -205285.0 ( -137.78 by residue)
QMean score : 0.173
(partial model without unconserved sides chains):
PDB file :
Tito_3PUX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PUX-query.scw
PDB file :
Tito_Scwrl_3PUX.pdb
: