Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAQLFNLESRLDELENEINTQYCELDTNLDALKSNRIELESQLEKFESSLTNRLQGSISNNCRNDLLNLGYTHSQVDCMSDEEVYAALDKIDEEIHNTDQDY-STGF---EDLEKQIIEMKRDYFIDRKERGSGNFDEAWEGEILDLEFEYTVLCLEKGLEPLNYIITWEG 4BNM Chain:E ((90-141)) ---------------------------------------------------------------------------QIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMEDLRGRFSETSREGFL---------------------------------------------

General information: TITO was launched using: RESULT: Template: 4BNM.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 50 -2067 -41.34 -43.06 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain E : 0.64 3D Compatibility (PKB) : -41.34 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.468

(partial model without unconserved sides chains): PDB file : Tito_4BNM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BNM-query.scw PDB file : Tito_Scwrl_4BNM.pdb: