Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MCPCPHSQAQGETDGEAEWHNAALDFTHAMSYGDYLKLDKVLDAQFPLS--PDHNEMLFIIQHQTSELWMKLMLHELRAAREHVKSGKLGPALKMLARVSRIFDQLVHAWAVLATMTPTEYNTIRPYLGQSSGFQSYQYREIEFILGNKNATLLKPHAHRAELLAALEQALHTPSLYDEAIRLMAAQGLPVSQERLARDAAAGTCYEASVEAAWRQVYQAPERYWDLYQLAEKLIDLEDSFRQWRFRHVTTVERIIGFKPGTGGTEGVGYLRSMLDTILFPELWRLRSNL
3BK9 Chain:D ((22-282))
-----------------------------LTYGGYLRLDQLLSAQQPLSEPAHHDEMLFIIQAQTSELWLKLLAHELRAAIVHLQRDEVWQCRKVLARSKQVLRQLTEQWSVLETLTPSEYMGFRDVLGPSSGFQSLQYRYIEFLLGNKNPQMLQVFAYDPAGQARLREVLEAPSLYEEFLRYLARFGHAIPQQYQARDWTAAHVADDTLRPVFERIYENTDRYWREYSLCEDLVDVETQFQLWRFRHMRTVMRVIGFKRGTGGSSGVGFLQQALALTFFPELFDVRTSV
General information:
TITO was launched using:
RESULT:
Template:
3BK9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108893 for 1888 contacts (-57.7/contact) +
2D Compatibility (PS) -28554 + (NN) -20037 + (LL) 1408
1D Compatibility (HY) -27200 + (ID) 6200
Total energy: -189476.0 ( -100.36 by residue)
QMean score : 0.478
(partial model without unconserved sides chains):
PDB file :
Tito_3BK9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BK9-query.scw
PDB file :
Tito_Scwrl_3BK9.pdb
: