Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMSAFTLYPAIDMRNGKCVRLVQGDYNKETIYGDSPYDMAELFEKEGAEWIHLVDLDGAKEGKRVNDRHVIEIAQKLNLKVEIGGGIRSENDVYEYLSAGVERVILGSSAVSNPPFVKKMLKQYGEKIAIGLDAR----NGFVSTEGWLETSTLKATELGKELANEGAEVFIFTDIATDGMLSGPNVKSTVELAKETGKSVIASGGVSSVADLEALARNEADGVSGAIIGKALYTNQFTLSEALERVKRK
2Y85 Chain:C ((3-243))---LILLPAVDVVEGRAVR----------EYG-SAVDAALGWQRDGAEWIHLVDLDAAF-GRGSNHELLAEVVGKLDVQVELSGGIRDDESLAAALATGCARVNVGTAALENPQWCARVIGEHGDQVAVGLDVQIIDGEHRLRGRGW-ETDGGDLWDVLERLDSEGCSRFVVTDITKDGTLGGPNLDLLAGVADRTDAPVIASGGVSSLDDLRAIATLTHRGVEGAIVGKALYARRFTLPQALAAVR--


General information:
TITO was launched using:
RESULT:

Template: 2Y85.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1342 -79682 -59.38 -351.02
target 2D structure prediction score : 0.74
Monomeric hydrophicity matching model chain C : 0.83

3D Compatibility (PKB) : -59.38
2D Compatibility (Sec. Struct. Predict.) : 0.74
1D Compatibility (Hydrophobicity) : 0.83
QMean score : 0.666

(partial model without unconserved sides chains):
PDB file : Tito_2Y85.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2Y85-query.scw
PDB file : Tito_Scwrl_2Y85.pdb: