Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLGITVLAALLACASSCGVPSFPPNLSARVVGGEDARPHSWPWQISLQYLKNDTWRHTCGGTLIASNFVLTAAHCISNTRTYRVAVGKNNLEVEDEEGSLFVGVDTIHVHKRWNALLL--RNDIALIKLAEHVELSDTIQVACLPEKDSLLPKDYPCYVTGWGRLWTNGPIADKLQQGLQPVVDHATCSRIDWWGFRVKKTMVCAGGDGVISACNGDSGGPLNCQLENGSWEVFGIVSFGSRRGCNTRKKPVVYTRVSAYIDWINEKMQL
1BRU Chain:P ((1-239))
-----------------------------VVGGEDARPNSWPWQVSLQYDSSGQWRHTCGGTLVDQSWVLTAAHCISSSRTYRVVLGRHSLST-NEPGSLAVKVSKLVVHQDWNSNQLSNGNDIALLKLASPVSLTDKIQLGCLPAAGTILPNNYVCYVTGWGRLQTNGASPDILQQGQLLVVDYATCSKPGWWGSTVKTNMICAGGDGIISSCNGDSGGPLNCQGANGQWQVHGIVSFGSSLGCNYYHKPSVFTRVSNYIDWINSVIA-
General information:
TITO was launched using:
RESULT:
Template:
1BRU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -181927 for 2016 contacts (-90.2/contact) +
2D Compatibility (PS) -25827 + (NN) -6907 + (LL) 2116
1D Compatibility (HY) -24400 + (ID) 7500
Total energy: -244445.0 ( -121.25 by residue)
QMean score : 0.491
(partial model without unconserved sides chains):
PDB file :
Tito_1BRU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1BRU-query.scw
PDB file :
Tito_Scwrl_1BRU.pdb
: