Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHMESIRYFDGEKHIEYSNTQEDVDFISFEEDKITKVNFKDGTCLKIVSPYI--EYKSKWEQDDSDERDRFGW 2JMS Chain:A ((1-63)) --TDPEEHFDPNTNCDYTNSQDAWDYCTN--------YIVNSSCGEICCNDCFDETGTGACRAQAFGNSCLNW

General information: TITO was launched using: RESULT: Template: 2JMS.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 : 246 -2908 -11.82 -47.67 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -11.82 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.072

(partial model without unconserved sides chains): PDB file : Tito_2JMS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JMS-query.scw PDB file : Tito_Scwrl_2JMS.pdb: