Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQWWQILLLTLYSAYQICDELTIVSSAGSPVFAGFITGLIMGDVTTGLLIGGNLQLFVLGVGTFGGASRIDATSGAVLATAFSVSQGIDAPLAITTIAVPVAALLTYFDVLGRMTTTFFAHRVDAAIE-RFDYKGIERNYLLGAIPWALSRALPVFFALAFGGAFVQSVVDFVEAYKWVADGLTLAGRMLPGLGFAILLRYLPVKRNLHYLAMGFGLTAMLTVLYSYVTGLGGAVAGIVGTLPAEVAQKIGFVNNFKGLSMIGISIVGIFLAVLHFKNSQKVAVAAPSTPSESGEIEDDEF 2G4O Chain:A ((207-323)) --------------AYQHVDAATIHMITDPGRFDVIVTDNLFGDIIT------DLAAAVCGGIGLAASGNIDATRAN--PSMFEPVHGSAPDIAGQGIADPTAAIMSVALLLSHLGEHDAAARVDRAVEAHLATRGSER-------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2G4O.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 : 309 -39997 -129.44 -344.80 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -129.44 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.091

(partial model without unconserved sides chains): PDB file : Tito_2G4O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2G4O-query.scw PDB file : Tito_Scwrl_2G4O.pdb: