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



Input alignment information:
Query sequenceMLNKIYDWVDERLDITPMWRDIADHEVPEHVNPAHHFSAFVYCFGGLTFFVTVIQVLSGMFLTMYYVPDIKNAWESVYYLQNEVAFGQIVRGMHHWGASLVIVMMFLHTLRVFFQGAYKKPRELNWIVGVLIFFVMLGLGFTGYLLPWDMKALFATKVGLQIAEATPLIGTQVKTLLAGHPDIVGAQTLTRFFAIHVFFLPAALFGLMAAHFIMIRKQGISGPL
4H44 Chain:A ((1-215))-MANVYDWFEERLEIQAIAEDVTSKYVPPHVN-------IFYCLGGITLVCFLIQFATGFAMTFYYKPTVAEAYSSVQYIMNEVNFGWLIRSIHRWSASMMVLMMILHVFRVYLTGGFKKPRELTWVSGVILAVITVSFGVTGYSLPWDQVGYWAVKIVSGVPEAIPVVGVLISDLLRGGSS-VGQATLTRYYSAHTFVLPWLIAVFMLFHFLMIRKQGISGPL


General information:
TITO was launched using:
RESULT:

Template: 4H44.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 692 -116168 -167.87 -540.31
target 2D structure prediction score : 0.79
Monomeric hydrophicity matching model chain A : 0.85

3D Compatibility (PKB) : -167.87
2D Compatibility (Sec. Struct. Predict.) : 0.79
1D Compatibility (Hydrophobicity) : 0.85
QMean score : 0.308

(partial model without unconserved sides chains):
PDB file : Tito_4H44.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4H44-query.scw
PDB file : Tito_Scwrl_4H44.pdb: