Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MNFIKKWSVGLLSMLPVLAMAHPGH-----DHVHSGFMAGFIHP---FTGLDHLIMALGFGVLLWSAAKQWKIAGVITLSITLVIGFLVGA------QGLVPANVAEYGIVTSLIITAIALWTKSNRILPIAAALLASFHGMAHGVELAHAG-HIVALVTGMVAGMALI-YCGGLALGAVFTRYVPYGKKIVGACAALVAVIGLS 4CUA Chain:A ((4-181)) QGANISDQWT---GSELP-LAFASDSNPSDPVSNVNDKLISYNNQPANRWTNWNRSNPEASVGVL-FGDSGILSKRSVDNLSVGFHEDHGVGAPKSYVIEYYVGKTVPTAPKNPSFVGNEDHVFNDSANWKPVT--------NLKAPAQLKAGEMNHFSFDKVETYAIRIRMVKADNKRGTSITEVQIFAK----------------

General information: TITO was launched using: RESULT: Template: 4CUA.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 : 777 -19162 -24.66 -119.76 target 2D structure prediction score : 0.29 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -24.66 2D Compatibility (Sec. Struct. Predict.) : 0.29 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.066

(partial model without unconserved sides chains): PDB file : Tito_4CUA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CUA-query.scw PDB file : Tito_Scwrl_4CUA.pdb: