Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-----------MLKIVQGALDTDKLLKDYQEEACTKNFGAFCVFVGIVREEGNVQGLSFDIYEALL---KTWFEKWRHQPKDLGVVLKMA--HS-VGDVLIRHSS-------FLCVLMGANTKNALKLYEYFFKNFKRNAPIWKCYLSDNERIYAKKKDHLLKGSGLLA-
4UN1 Chain:B ((21-179))
MSHQFSPEEQAVLRIVQANLPDSLTPYADLAEQAGMTEAQVLELLGRLKASGAIRRFGASIKHQKTGWTHNAMVAWKVTPDQVDDCGRKAAEHSHISHVYYRPSSAPDWPYEMYTMIHGRSEAECLGVVEDVKRT-----------TSLKEHAILRSLKELKKTSMTYFT
General information:
TITO was launched using:
RESULT:
Template:
4UN1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -58991 for 769 contacts (-76.7/contact) +
2D Compatibility (PS) -13929 + (NN) 42 + (LL) 792
1D Compatibility (HY) -3600 + (ID) 1300
Total energy: -76986.0 ( -100.11 by residue)
QMean score : 0.290
(partial model without unconserved sides chains):
PDB file :
Tito_4UN1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4UN1-query.scw
PDB file :
Tito_Scwrl_4UN1.pdb
: