Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDEYKNDEDKMLFEEIENRCRLNFELRGKMSLIQQKKYLANKSEFTLGHVEKLISDWISSRSEFTKIKQPIKFDMKKLLLNKSEIGNRDQYIRAK--GQEIIDSLGEMRSYNYLYVTHRADGMVITVGKS----SSNDIFLDGDLFYQLNT-------NHLSGTENIILRTEYGNEIFAKYDEILKNYLDWAWIIPVESGDAKKLERLLGDELINKKVPILNYYSHRQ 4C5M Chain:A ((125-223)) ---------------------------------------------------------------------------MIKYLLPKATVVTPNLFEAGQLSGLGKLNSIEDMKKAATIIFDKGAQHVIIKGGKALDQDKSYDLYYDGQTFYQLTTDMFQQSYNHGAGCTFAAATTAY-------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4C5M.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 : 365 7010 19.21 81.51 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 19.21 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.148

(partial model without unconserved sides chains): PDB file : Tito_4C5M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C5M-query.scw PDB file : Tito_Scwrl_4C5M.pdb: