Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFVMVLRIILLALFAYCIYAVVKYVANPKRRLKLAQSKEHFYIIDEQNNTRKNFQLTYKGVLFEGEKHIPSKDHPLFIHTIFVWTESPEKLKHFSAKDFENIEEKVLERYPNCKIDWDQPIKLAKKAEER 2HW4 Chain:A ((114-141)) -------------------------------------------------------------------------------------------MAYGPAQHAISTEKIKAKYPDYEVTWAN-----------

General information: TITO was launched using: RESULT: Template: 2HW4.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 : 35 -1051 -30.01 -37.52 target 2D structure prediction score : 0.89 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -30.01 2D Compatibility (Sec. Struct. Predict.) : 0.89 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.665

(partial model without unconserved sides chains): PDB file : Tito_2HW4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HW4-query.scw PDB file : Tito_Scwrl_2HW4.pdb: