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



Input alignment information:
Query sequenceMLNKIYDWVDERLDITPMWRDIADHEVPEHVNPAHHFSAFVYCFGGLTFFVTVIQVLSGMFLTMYYVPDIKNAWESVYYLQNEVAFGQIVRGMHHWGASLVIVMMFLHTLRVFFQGAYKKPRELNWIVGVLIFFVMLGLGFTGYLLPWDMKALFATKVGLQIAEATPLIGTQVKTLLAGHPDIVGAQTLTRFFAIHVFFLPAALFGLMAAHFIMIRKQGISGPL
4PV1 Chain:A ((3-215))---NVYDWFQERLEIQALADDVTSKYVPPHVN-------IFYCLGGITLTCFLIQFATGFAMTFYYKPTVTEAYASVQYIMNEVSFGWLIRSIHRWSASMMVLMMILHVFRVYLTGGFKKPRELTWISGVILAVITVSFGVTGYSLPWDQVGYWAVKIVSGVPEAIPVVGVLISDLLRGGSS-VGQATLTRYYSAHTFVLPWLIAVFMLLHFLMIRKQGISGPL


General information:
TITO was launched using:
RESULT:

Template: 4PV1.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 : 673 -117274 -174.25 -550.58
target 2D structure prediction score : 0.78
Monomeric hydrophicity matching model chain A : 0.85

3D Compatibility (PKB) : -174.25
2D Compatibility (Sec. Struct. Predict.) : 0.78
1D Compatibility (Hydrophobicity) : 0.85
QMean score : 0.291

(partial model without unconserved sides chains):
PDB file : Tito_4PV1.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4PV1-query.scw
PDB file : Tito_Scwrl_4PV1.pdb: