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



Input alignment information:
Query sequenceMKGIILAGGSGTRLYPLTKATSKQLMPIYDKPMIYYPMSTLMLAGIKEILIISTPQDTPRFKELFGNGNDLGLQIEYAVQESPDGLAQAFIIGEEFIGDDSVCLVLGDNIYYGGGLSKMLQRAASKDTGATVFGYHVNDPERFGVVEFDENMQALSIEEKPAQPKSNYAVTGLYFYDNEVISIAKGIKPSERGELEITDVNKAYLDKGKLSVELMGRGFAWLDTGTHESLLEASTFIETIEKRQNLKVACLEEIAYRMGYIDKEQLLALAQPLKKNQYGQYLLNLAAE
4B4M Chain:B ((14-300))-KGIILAGGSGTRLHPATLAISKQLLPVYDKPMIYYPLSTLMLAGIREILIISTPQDTPRFQQLLGDGSNWGLDLQYAVQPSPDGLAQAFLIGESFIGNDLSALVLGDNLYYGHDFHELLGSASQRQTGASVFAYHVLDPERYGVVEFDQGGKAISLEEKPLEPKSNYAVTGLYFYDQQVVDIARDLKPSPRGELEITDVNRAYLERGQLSVEIMGRGYAWLDTGTHDSLLEAGQFIATLENRQGLKVACPEEIAYRQKWIDAAQLEKLAAPLAKNGYGQYLKRLLTE


General information:
TITO was launched using:
RESULT:

Template: 4B4M.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1494 -193810 -129.73 -675.29
target 2D structure prediction score : 0.73
Monomeric hydrophicity matching model chain B : 0.92

3D Compatibility (PKB) : -129.73
2D Compatibility (Sec. Struct. Predict.) : 0.73
1D Compatibility (Hydrophobicity) : 0.92
QMean score : 0.638

(partial model without unconserved sides chains):
PDB file : Tito_4B4M.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4B4M-query.scw
PDB file : Tito_Scwrl_4B4M.pdb: