Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQTRALMEGAILISLFAIITLLVVYVPVIGT-ILLFALPLPMILYTIRHGLKLGIWMGAVSLPVVFI-VG-SFNGLIVAFMSACAGIAMGHFFKRKEPGHAIISGALIYMLSIVFYFVISIQFLGINIIDEAMTQYRQSLDIVETVAKQSGNAGQFEKQLKLMEEQLGIVQYLFPTAIVMVGVIFSFLSYLIAKPLLRRFSPDIPNLKPFRELKFPQSVVVLYLIIVMLSFLPLEKGQMLYSIALNGEFILGFLIFIQGLSFIFFYCHKKQYPKAAAVIAVILGFVHPVFMAAIRILGVLDMGFHIRNKVK 3P5N Chain:A ((10-119)) -QQNKRLITISMLSAIAFVLTFIKFPIPFLPPYLTLDFSDVPSLLATFTFGPVAGIIVALVKNLLNYLFSMGDPVGPFANFLAGASFLLTAYAIYKNKRS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3P5N.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 : 333 -59052 -177.33 -615.12 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.48 3D Compatibility (PKB) : -177.33 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.48 QMean score : 0.319

(partial model without unconserved sides chains): PDB file : Tito_3P5N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3P5N-query.scw PDB file : Tito_Scwrl_3P5N.pdb: