Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSYRQMLIHRCDIYHEAAQAPSAGRFGIPADRLQPVISYPDTPDEQDVPCYFTEKTQQLIQEEPDQTVYHSFLVHFPLSADIRVNDKIIWENHKYILKL-PKRIR--HHHWEVVAVRDESL 2KCA Chain:A ((37-138)) ----EEFRDVITFQSYVEQS---NGEGGKTY------K--WVD-EFTAAAHVQPISQEEYYKAQQLQTPIGYNIYTPYDDRIDKKMRVIYRGKIVTFIGDPVDLSGLQEITRIKGKED---

General information: TITO was launched using: RESULT: Template: 2KCA.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 : 391 -31494 -80.55 -318.12 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -80.55 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.185

(partial model without unconserved sides chains): PDB file : Tito_2KCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KCA-query.scw PDB file : Tito_Scwrl_2KCA.pdb: