Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDDIRKIERLAAASWPAYFQKSIGKWLLRANFGVTKRANSVWTSADMPEGDFQLEAELFYQSLGLPVCFHISNASPKGLDDALADSRYEKVDECFQMTALCRSIMSRTNDNSRFTYKWEQEPSSVWIDEFIQLEGFSPERHKGYKHIFERMPPCKTFFKMYDKESLTALGTVSVIDG---YGGLS-NIVVAEEHRGKGAGTQ-VIRVLTEWAKNNGAERMFLQVMKENLAAVSLYGKIGFSPISEHHYRIKR-------------- 2PSW Chain:A ((2-156)) ------------------------------------------------------------------------------------------------------------SKGSRIELGDVTPHN---IKQLKRLNQVIFPVSYNDKFYKDVLEVGELAKLAYFNDIAVGAVCCRVDHSQNQKRLYIMTLGCLAPYRRLGIGTKMLNHVLNICEKDGTFDNIYLHVQISNESAIDFYRKFGFEIIETKKNYYKRIEPADAHVLQKNLK

General information: TITO was launched using: RESULT: Template: 2PSW.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 : 543 -30680 -56.50 -225.59 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -56.50 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.350

(partial model without unconserved sides chains): PDB file : Tito_2PSW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PSW-query.scw PDB file : Tito_Scwrl_2PSW.pdb: