Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
---VTIKITRKTGIGSGITPVKIRIENEEIVKLDNHQSHFFMPK----MEKTKVCVTDWFYGSQEAVLENSNDVVVRINRKALLLNYSMFPFLFYGFVMTSLFATLIALGLCLVSFFYSRKHWFEFVKIK-
2W4Y Chain:A ((1-122))
ALGDTLTITLG---GSGGTAKVLRKINQ-----DGYTSEYYLPETSSSFRAKVRHTKESVKPNQVQYERHNVEFTETVYASGSTPEFVRQAYVVIRHKVGDVSATVSDLGEAL-SFYLNEALYGKLIGWES
General information:
TITO was launched using:
RESULT:
Template:
2W4Y.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -29448 for 614 contacts (-48.0/contact) +
2D Compatibility (PS) -12422 + (NN) 74 + (LL) 1016
1D Compatibility (HY) -1600 + (ID) 1000
Total energy: -43380.0 ( -70.65 by residue)
QMean score : 0.147
(partial model without unconserved sides chains):
PDB file :
Tito_2W4Y.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2W4Y-query.scw
PDB file :
Tito_Scwrl_2W4Y.pdb
: