Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------MTISLMIEKKCERSFFSM--NAIIHGIVLAFGLILPLGVQNVFIFQQGALQKHIWRALPAVISASVCDTLLIVLAVAGVSVIVQELPV-FETVMMAGGF-----LFLLYMGWVT------WNIRPNTSQNEKHTFTPKKQAAFAAAVSL----------------------LNPHAILDTI--------GVIGTSSLQYSGLEKWLF--------------------------MAACIAVSWIWFISLAIAGRLFQTIDTSGRLM-----LIVNKCSAAV---------MWAAAGYFGVSLFCN-------- 4XYW Chain:A ((1-338)) MKNVGFIVTKSEIGGAQTWVNEISNLIKEECNIFLITSEEGWLTHKDVFA-GVFVIPGIKKYF-------DFLTLFKLRKILKENNISTLIASSANAGVYARLVRLLVDFKCIYVSHGWSCLKSIFCIVEKYLSLLTDVIWCVSKNDEKKAIENIGIKEPKIITVSNSVPQMPRCKQLQYKVLFVGRLTHPKRPELLANVISKKPQYSLHIVGSLKKQFSECENIHFLGEVNNFYNYHEYDLFSLISDSEGLPMSGLEAHTAAIPLLLSDVGGCFELIEGNGLLVENTEDDIGYKLDKIFDDYENYREQAIRASGKFVIENYASAYKSIILG

General information: TITO was launched using: RESULT: Template: 4XYW.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 : 829 -143195 -172.73 -675.45 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -172.73 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.172

(partial model without unconserved sides chains): PDB file : Tito_4XYW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XYW-query.scw PDB file : Tito_Scwrl_4XYW.pdb: