Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------MMKKLFHSTLIVLLFFSFFGVQPIHAKKQFKVPNSVASISKENTYPNASQDQPMLQPSKLAKELLDHSEVK-------IENPHLIKMLNESNISGTPLAVGYRATIFL-----GKWALGYESNETVANWEYKKINTN------RADNRGGKETAEMHYAQEQQYRVKGGLTAK-----VPNAEDVKSMMM-QKAMKKTNLPLAFETVIGAGTKRDQIYKVAPK---------KIGYLHAYAPAV-----NEKGKVTYGE-----VYLVLK---------GNKRKLVVKNVTSQGIGAWIPVQDHVTF-----GFQLSSLPR----- 3HGU Chain:A ((2-354)) KDYSLEIDAVMKAAQINDTNNFVQALMRWHFSKETGSPFWLGMREQLNFDPIKDVKTINDLRQFS-DISHCLRQEPVANLVPQGLPADSHPQVYESGGAPKYVVAYDAWIEALISWRMSGYQHRPGRPSGNTLAAIPTGPHIVGAINKERALRLGGMFFSIDIDPRWVKRSLSEGDTATVRKYTHHLVDQVQNTLMNQDIRFLVTTPPVLRELLKRPEVVLQMKQSLAQITLGGTELNLDEIKFIASEILPDCEFSASYGSTSALGVSRSLLITSESQQVIYDSFSPFITYDVVDSITAQTVEYGERGNVIVTHLSPWAFYPRVAERDTAIRLPGVSGFAGDRLADIEPLK

General information: TITO was launched using: RESULT: Template: 3HGU.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 : 1092 -69082 -63.26 -262.67 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -63.26 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.220

(partial model without unconserved sides chains): PDB file : Tito_3HGU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HGU-query.scw PDB file : Tito_Scwrl_3HGU.pdb: