Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MCPCPHSQAQGETDGEAEWHNAALDFTHAMSYGDYLKLDKVLDAQFPLS--PDHNEMLFIIQHQTSELWMKLMLHELRAAREHVKSGKLGPALKMLARVSRIFDQLVHAWAVLATMTPTEYNTIRPYLGQSSGFQSYQYREIEFILGNKNATLLKPHAHRAELLAALEQALHTPSLYDEAIRLMAAQGLPVSQERLARDAAAGTCYEASVEAAWRQVYQAPERYWDLYQLAEKLIDLEDSFRQWRFRHVTTVERIIGFKPGTGGTEGVGYLRSMLDTILFPELWRLRSNL
3BK9 Chain:H ((22-282))
-----------------------------LTYGGYLRLDQLLSAQQPLSEPAHHDEMLFIIQAQTSELWLKLLAHELRAAIVHLQRDEVWQCRKVLARSKQVLRQLTEQWSVLETLTPSEYMGFRDVLGPSSGFQSLQYRYIEFLLGNKNPQMLQVFAYDPAGQARLREVLEAPSLYEEFLRYLARFGHAIPQQ-----WTAAHVADDTLRPVFERIYENTDRYWREYSLCEDLVDVETQFQLWRFRHMRTVMRVIGFKRGTGGSSGVGFLQQALALTFFPELFDVRTSV
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) -110893 for 1834 contacts (-60.5/contact) +
2D Compatibility (PS) -28345 + (NN) -22314 + (LL) 1852
1D Compatibility (HY) -27600 + (ID) 6050
Total energy: -193350.0 ( -105.43 by residue)
QMean score : 0.509
(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
: