Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLLPLPLLLFLLCSRAEAGEIIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAG--RSITVTLGAHNITEEEDTWQKLEVIKQFRHPKYNTSTL--HHDIMLLKLKEKASLTLAVGTLPFPSQFNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSH---FRDFDHNLQLCVGNPRKTKSAFKGDSGGPLLC---AGV--AQGIVSYGR--SDAK--PPAVFTRISHYRPWINQILQAN
1BRU Chain:P ((1-241))
---------------------VVGGEDARPNSWPWQVSLQYDSSGQWRHTCGGTLVDQSWVLTAAHCISSSRTYRVVLGRHSLSTNEPGSLAVKVSKLVVHQDWNSNQLSNGNDIALLKLASPVSLTDKIQLGCLPAAGTILPNNYVCYVTGWGRLQTNGASPDILQQGQLLVVDYATCSKPGWWGSTVKTNMICAGGD-GIISSCNGDSGGPLNCQGANGQWQVHGIVSFGSSLGCNYYHKPSVFTRVSNYIDWINSVIANN
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) -157125 for 1899 contacts (-82.7/contact) +
2D Compatibility (PS) -24127 + (NN) -4456 + (LL) 2196
1D Compatibility (HY) -14400 + (ID) 4050
Total energy: -201962.0 ( -106.35 by residue)
QMean score : 0.671
(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
: