Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKELTAKKRAALNRLK-TVRGHLDGIVRMLE----SDAYCVDVMKQISA----------------------------VQSSLERANRVML-HNHLETCFS------------TAVLDGHGQAAIEELIDAVKFTPALTGPHARLGGAAVGESATEEPMPDASNM
4UN1 Chain:B ((21-179))
MSHQFSPEEQAVLRIVQANLPDSLTPYADLAEQAGMTEAQVLELLGRLKASGAIRRFGASIKHQKTGWTHNAMVAWKVTPDQVDDCGRKAAEHSHISHVYYRPSSAPDWPYEMYTMIHGRSEAECLGVVEDVKRTTSLK-EHAILRSLKELKKTSMTYFT-----
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) -31891 for 613 contacts (-52.0/contact) +
2D Compatibility (PS) -12425 + (NN) -4686 + (LL) -4
1D Compatibility (HY) -6800 + (ID) 1000
Total energy: -56806.0 ( -92.67 by residue)
QMean score : 0.510
(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
: