Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERFEITKTPINTENIIKKVEK----REAGAITTFIGTVREWTNGKRTVRLEYEAYEPMAVQMLAQIGAEIEEKWE------GASAAITHRIGVLDIGEAAVVIAVSSPHRKAAYEANEYAIERIKQIVPIWKKEIWEDGEQWIGDQLETTAYPNGKPDLSEGEQHD 3RPF Chain:A ((5-126)) ---LKIIQGALDTRELLKAYQEEACAKNFGAFCVFVGIVRKEDN---IQGLSFDIYEALLKTWF--------EKWHHKAKDLGVVLKMAHSLGDVLIGQSSFLCVSMGKNRKNALELYENFIEDFKHNAPIWKYDL-------------------------------

General information: TITO was launched using: RESULT: Template: 3RPF.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 : 494 -76206 -154.26 -680.41 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -154.26 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.526

(partial model without unconserved sides chains): PDB file : Tito_3RPF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RPF-query.scw PDB file : Tito_Scwrl_3RPF.pdb: