Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESLIQTYLPNVYKMGWAGQAGWGTAIYLTLYMTVLSFIIGGFLGLVAGLFLVLTAPGGVLENKVVFWILDKITSIFRAVPFIILLAILSPLSHLIVKT-----SIGPNAALVPLSFAVFAFFARQVQVVLAELDGGVIEAAQASGATFWDIV-GVYLSEGLPDLIRVTTVTLISLVGETAMAGAVGAG----GIGNVAIAYGFNRYNHDVTILATIVIILIIFAIQFLGDFLTKKLSHK 3PUY Chain:G ((80-249)) ---------------------PVLLWLWNSVKVAGISAIGIVALSTTCAYAFARM-------RFPGKATLLKGMLIFQMFPAVLSLVALYALFDRLGEYIPFIGLNTHGGVIFAYL-GGIALHVWTIKGYFETIDSSLEEAAALDGATPWQAFRLVLLPLSVPILAVVFILSFIAAITEVPVASLLLRDVNSYTLAVGM-----------------------------------------

General information: TITO was launched using: RESULT: Template: 3PUY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 518 -65507 -126.46 -409.42 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain G : 0.61 3D Compatibility (PKB) : -126.46 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.237

(partial model without unconserved sides chains): PDB file : Tito_3PUY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PUY-query.scw PDB file : Tito_Scwrl_3PUY.pdb: