Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDEYKNDEDKMLFEEIENRCRLNFELRGKMSLIQQKKYLANKSEFTLGHVEKLISDWISSRSEFTKIKQPIKFDMKKLLLNKSEIGNRDQYIRAK--GQEIIDSLGEMRSYNYLYVTHRADGMVITVGKS----SSNDIFLDGDLFYQLNT-------NHLSGTENIILRTEYGNEIFAKYDEILKNYLDWAWIIPVESGDAKKLERLLGDELINKKVPILNYYSHRQ 4C5N Chain:A ((125-223)) ---------------------------------------------------------------------------MIKYLLPKATVVTPNLFEAGQLSGLGKLNSIEDMKKAATIIFDKGAQHVIIKGGKALDQDKSYDLYYDGQTFYQLTTDMFQQSYNHGAGCTFAAATTAY-------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4C5N.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 : 372 11110 29.87 129.19 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 29.87 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.197

(partial model without unconserved sides chains): PDB file : Tito_4C5N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C5N-query.scw PDB file : Tito_Scwrl_4C5N.pdb: