Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESLIQTYLPNVYKMGWAGQAGWGTAIYLTLYMTVLSFIIGGFLGLVAGLFLVLTAPGGVLENKVVFWILDKITSIFRAVPFIILLAILSPLSHLIVKTSIGPNAALVPLSFAVFAFFARQVQVVLAELDGGVIEAAQASGATFWDIV-GVYLSEGLPDLIRVTTVTLISLVGETAMAGAVGAGGIGNVAIAYGFNRYNHDVTILATIVIILIIFAIQFLGDFLTKKLSHK 3DHW Chain:A ((13-208)) --------------------------VWETLAMTFVSGFFGFVIGLPVGVLLYVTRPGQIIANAKLYRTVSAIVNIFRSIPFIILLVWMIPFTRVIVGTSIGLQAAIVPLTVGAAPFIARMVENALLEIPTGLIEASRAMGATPMQIVRKVLLPEALPGLVNAATITLITLVGYSAMGGAVGAGGLGQIGYQYGYIGYNATVMNTVLVLLVILVYLIQFAGD---------

General information: TITO was launched using: RESULT: Template: 3DHW.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 : 756 -133740 -176.90 -685.85 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -176.90 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.286

(partial model without unconserved sides chains): PDB file : Tito_3DHW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DHW-query.scw PDB file : Tito_Scwrl_3DHW.pdb: