Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPIEFIATSKLPTAFGEFNISVFQDPVTGEEHVALSKGLENP----PTDPVLVRVHSECLTGDAFASLK---CDCGPQLQATQKLINEAGQGVILYLRQEGRGIGLTNKIRAYALQDQGHDTVDANLLLNLPADARRYDMCSIMLDHLKVKEVKLITNNPLKIQALKDQGINVVDRVPLTVGRNPFNEQYLKTKRERMAHLYQKDDF 5HKO Chain:A ((153-239)) ---------------GKGNIVILQGPLGGSGEINRGKGIDQVLAKYPDIKVLAKDTANWKRDEAVNKMKNWISSFGPQIDGVVAQNDDMGLGALQALKEAGR---------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5HKO.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 : 314 12392 39.46 154.89 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 39.46 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.445

(partial model without unconserved sides chains): PDB file : Tito_5HKO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HKO-query.scw PDB file : Tito_Scwrl_5HKO.pdb: