Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKDKLRYAILKEIFEGN---TPLSENDIG---------VTEDQFDDAVNFLKREGYIIGVHYS-DDRPHLYKLGPELTEKGENYLKENGTWSKAYKTIKEIKDWIK 2ESH Chain:A ((13-95)) ----WLASTILLLVAEKPSHGYEL-AERLAEFGIEIPGIGHMGNIYRVLADLEESGFLSTEWDTTVSPPR---KIYRITPQGKLYLREILR----------------

General information: TITO was launched using: RESULT: Template: 2ESH.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 : 224 -35135 -156.85 -501.92 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -156.85 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.605

(partial model without unconserved sides chains): PDB file : Tito_2ESH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ESH-query.scw PDB file : Tito_Scwrl_2ESH.pdb: