Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence WYHSSLTREEAERKLYSGAQTDGKFLLRPRKEQGTYALSLIYGKTVYHYLISQDKAGKYCIPEGTKFDTLWQLVEYL 1A81 Chain:E ((160-235)) WFHGKISREESEQIVLIGSKTNGKFLIRARDNNGSYALCLLHEGKVLHYRIDKDKTGKLSIPEGKKFDTLWQLVEH-

General information: TITO was launched using: RESULT: Template: 1A81.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 : 243 -37117 -152.74 -488.38 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain E : 0.89 3D Compatibility (PKB) : -152.74 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.735

(partial model without unconserved sides chains): PDB file : Tito_1A81.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1A81-query.scw PDB file : Tito_Scwrl_1A81.pdb: