Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLERLNQDMKLYMKNREKDKLTVVRMVKASLQNEAIKLKKDSLTEDEELTVLSRELKQRKDSLQEFSNANRLDLVDKVQKELDILEVYLPEQLSEEELRTIVNETIAEVGASSKADMGKVMGAIMPKV-KGKADGSLINKLVSSQLS 3MIX Chain:A ((501-569)) ----------------------------------------------------------------------------------YPVLVEEVTPNPLSVGDIQKVLAKLLKEK--VSIRNLVTIFETLADYGKLTT-DSDLLTEYTRQAL-

General information: TITO was launched using: RESULT: Template: 3MIX.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 : 200 -7358 -36.79 -118.68 target 2D structure prediction score : 0.89 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -36.79 2D Compatibility (Sec. Struct. Predict.) : 0.89 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_3MIX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MIX-query.scw PDB file : Tito_Scwrl_3MIX.pdb: