Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRVEPPYDVKEALVFTQKMAQLSKALWKSIEKDWQQWLKPYDLNINEHHILWIAYQLNGASISEIAKFGVMHVSTAFNFSKKLEERGYLRFSKRLNDKRNTYVQLTEEGTEVFWSLLEEFDPTRNAVFKGSQPLYHLFGKFPEVAEMMCMIRHIYGDDFMEIFETSLTNIDNDFESVNGKLKKKAKDSAADEPAEELEPVNS 3HSR Chain:A ((16-138)) -------------------------VSSKEIIKKYTNYLKEYDLTYTGYIVLMAIENDEKLNIKKLGERVFLDSGTLTPLLKKLEKKDYVVRTR-------LQISLTEQGKAIKSPLAEISVKVFNEF--NISE--------REASDIINNLRNFVSK---------------------------------------------

General information: TITO was launched using: RESULT: Template: 3HSR.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 : 358 -58518 -163.46 -504.47 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -163.46 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.402

(partial model without unconserved sides chains): PDB file : Tito_3HSR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HSR-query.scw PDB file : Tito_Scwrl_3HSR.pdb: