Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVLNKIALVTGGGTGIGKAASMELAKRGAIVAVNYSRSQSEAEETVEMIQKAGGQAFAIQADVSKNSDVQDMIQAIVNTHGTVDILVNNASITRHIPMDDLEAATEDV 3AY6 Chain:D ((15-112)) ----DKVVVITGGSTGLGRAMAVRFGQEEAKVVINYYNNEEEALDAKKEVEEAGGQAIIVQGDVTKEEDVVNLVQTAIKEFGTLDVMINNAGVENPVPSHEL-------

General information: TITO was launched using: RESULT: Template: 3AY6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 450 -37112 -82.47 -378.69 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain D : 0.83 3D Compatibility (PKB) : -82.47 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.630

(partial model without unconserved sides chains): PDB file : Tito_3AY6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AY6-query.scw PDB file : Tito_Scwrl_3AY6.pdb: