Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEGYIIAGLLLLTAGMIDFLWTTLWLESG--AGPITRCLSAWLWKGCRKISGDHAKVL-SMAGPLLLCLTLVIWISLFWSGWVLIYSSDPHSLMETQSK--EPASWSDRIYFSGYVMFTLGNGDLAPNGG-LWKLVTIIETAQGLLTITFSVTYLISVLSAVNQKRSFAQSVLSLGHDGTEIVHNAWNGKDFHDIDFLLVAASSELGKLTAQHNAFPILHFYHSTQHQESSIIA-VAVLDEALTIFKYGIPEQYQPNQLHIKEARSSIKNY-LDTVHTAYIHPAEQAPPEPDISKLQQSGIPALSKQTFQIAVNSIKERRQLLLGIIQAGARKWPVQEQAIGNAYSPK 3F3K Chain:A ((3-263)) ----SLTPRCIIVRHG------QTEWSKSGQYTGLTDLPLT------------PYGEGQMLRTGESVFRNQ-----FLNPDNITYIFTSPRLRARQTVDLVLKPLSDEQRAKIRVVVDDDLREWEYGDYEGMLTREIIELRKSRGL-----------------DKERPW-----NIWRDGCE------NGETTQQIGLRLSRAIARIQNLHRKHQS------------EGRASDIMVFAHGHALRYFAAIWFGLGVQKKCETIEEIQNVKSYDDDTVPYVKLESYRHLVDNP-CFLLDAGGIGVLSYAHHNI---------------------DEPALELAGPFVSPPE

General information: TITO was launched using: RESULT: Template: 3F3K.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 : 1255 -85394 -68.04 -338.87 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -68.04 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.162

(partial model without unconserved sides chains): PDB file : Tito_3F3K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3F3K-query.scw PDB file : Tito_Scwrl_3F3K.pdb: