Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVAGGEIRGDTGGEDTAAPGRFSFSPEPTLEDIRRLHAEFAAERDWEQFHQPRNLLLALVGEVGELAELFQWKTDGEPGPQGWSPRERAALQEELSDVLIYLVALAARCRVDLPLAVLSKMDINRRRYPAHLARSSSRKYTELPHGAISEDQAVGPADIPCDSTGQTST 2GTA Chain:A ((2-98)) --------------------------SDKTMKDIQAEVDRYIGQFKEG-YFSPLAMMARLTEELGELAREVNHRYGEKPK---KATEDDKSMEEEIGDVLFVLVCLANSLDISLEEAHDRVMHKFNT-------------------------------------------

General information: TITO was launched using: RESULT: Template: 2GTA.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 : 206 -17921 -87.00 -184.75 target 2D structure prediction score : 0.85 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -87.00 2D Compatibility (Sec. Struct. Predict.) : 0.85 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.341

(partial model without unconserved sides chains): PDB file : Tito_2GTA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2gta-query.scw PDB file : Tito_Scwrl_2GTA.pdb: