Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLEKAPQKSVADFWFDPLCPWCWITSRWILEVAKVRDIEVNFHVMSLAILNENRDDLPEQYREGMARAWGPVRVAIAAEQAHGAKVLDPLYTAMGNRIHNQGNHELDEVITQSLADAGLPAELAKAATSDAYDNALRKSHHAGMDAVGEDVGTPTIHVNGVAFFGPVLSKIPRGEEAGKLWDASVTFASYPHFFELKRTRTEPPQFD
4NXI Chain:A ((8-208))
------QKSVADFWFDPLCPWCWITSRWILEVAKVRDIEVNFHVMSLAILNENR-------REGMARAWGPVRVAIAAEQAHGAKVLDPLYTAMGNRIHNQGNHELDEVITQSLADAGLPAELAKAATSDAYDNALRKSHHAGMDAVGEDVGTPTIHVNGVAFFGPVLSKIPRGEEAGKLWDASVTFASYPHFFELKRTRTEPPQFD
General information:
TITO was launched using:
RESULT:
Template:
4NXI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -39664 for 1711 contacts (-23.2/contact) +
2D Compatibility (PS) -20687 + (NN) -7152 + (LL) 756
1D Compatibility (HY) -24800 + (ID) 9650
Total energy: -101197.0 ( -59.14 by residue)
QMean score : 0.588
(partial model without unconserved sides chains):
PDB file :
Tito_4NXI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NXI-query.scw
PDB file :
Tito_Scwrl_4NXI.pdb
: