Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASEREQISRKVALIALIANLILMAGKVFFGLVGDSEAVFADGIHSAADVVASIAVLAVIGISNKPPDQDHPFGHGKAEVISEAIVGIILVIVSVYILIEAILSFVKGPSVPQYSALFAALISYVAKEILYRYSIKQGKKWNSKAIIAIAYDHKGDIVASLAAFIGVLLAIIGNSRGWSYLLYADAIASAIVAYLIFKISMELIRPSVDVLMEKSVDPELIEEYKAVIFQCDQVKRIDRIRAREHGHYKLLDVRLSLDHDLTIKQGHDIAREIRNEIKRQFSDVEEVLIHVNPYFEE 4UX1 Chain:A ((288-341)) ---------------------------------------------------------------------------------------------------------------------------------------------NEKTPIAIEIEHFVDIIAGLAILFGATFFIVAMCIGYTFLRAMVFFMAIVVAYV------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4UX1.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 : 93 -24104 -259.18 -446.36 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -259.18 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.314

(partial model without unconserved sides chains): PDB file : Tito_4UX1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UX1-query.scw PDB file : Tito_Scwrl_4UX1.pdb: