Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASEREQISRKVALIALIANLILMAGKVFFGLVGDSEAVFADGIHSAADVVASIAVLAVIGISNKPPDQDHPFGHGKAEVISEAIVGIILVIVSVYILIEAILSFVKGPSVPQYSALFAALISYVAKEILYRYSIKQGKKWNSKAIIAIAYDHKGDIVASLAAFIGVLLAIIGNSRGWSYLLYADAIASAIVAYLIFKISMELIRPSVDVLMEKSVDPELIEEYKAVIFQCDQVKRIDRIRAREHGHYKLLDVRLSLDHDLTIKQGHDIAREIRNEIKRQFSDVEEVLIHVNPYFEE 3W61 Chain:A ((3-82)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HMEAVQNRIVEAAERVPGVRGVIHLRARYVGQDIWADMIIGVDPENTVEQAHEICEAVQAAVCGKIRRIESLAVSAEARE--

General information: TITO was launched using: RESULT: Template: 3W61.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 : 324 -65818 -203.14 -822.73 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.48 3D Compatibility (PKB) : -203.14 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.48 QMean score : 0.708

(partial model without unconserved sides chains): PDB file : Tito_3W61.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W61-query.scw PDB file : Tito_Scwrl_3W61.pdb: