Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MS-----EYQGVNTVKKDRKPITITANAVERIRYLLDQKQYTNLERSEEAIGIRVLI---KQKGCSGLKYDIEYAYDIHP--LESVIEESCSDGQKVKVLIDPKS--------VMFILG---SEMDYVEEKFSS------GFVFKNPNEKGKCGCGESFHV
4UN1 Chain:B ((21-179))
MSHQFSPEEQAVLRIVQANLPDSLTPYADLAEQAGMTEAQVLELLGRLKASGAIRRFGASIKHQKTGWTHNAMVAWKVTPDQVDDCGRKAAEHSHISHVYYRPSSAPDWPYEMYTMIHGRSEAECLGVVEDVKRTTSLKEHAILRSLKELKKTS--MTYFT
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) -5539 for 735 contacts (-7.5/contact) +
2D Compatibility (PS) -13642 + (NN) 1068 + (LL) -116
1D Compatibility (HY) -1600 + (ID) 1250
Total energy: -21079.0 ( -28.68 by residue)
QMean score : 0.399
(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
: