Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGQDHIEQHRRYIVISYAFMFLALFTVIFAAFAYLVARKVAVVDDAEVWIHAHALWIMRNGILFLLMSVFAVAWFIPLFFFAWDSNLWV----TASTVAGVVFSAIAWLFLLNA---WLKGLSKYLKNKAVF 1IUB Chain:A ((194-235)) ----------------------------------------------------------------------------------WDSNSWYVGGFSASASAGVSIAAISWGSTPNIRVYWQKGREE--------

General information: TITO was launched using: RESULT: Template: 1IUB.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 : 38 1251 32.92 35.74 target 2D structure prediction score : 0.14 Monomeric hydrophicity matching model chain A : 0.46 3D Compatibility (PKB) : 32.92 2D Compatibility (Sec. Struct. Predict.) : 0.14 1D Compatibility (Hydrophobicity) : 0.46 QMean score : -0.017

(partial model without unconserved sides chains): PDB file : Tito_1IUB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1IUB-query.scw PDB file : Tito_Scwrl_1IUB.pdb: