Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSYMTQRLDEYRDGNEDKGRLLVSCPDQPGIVSAVSAFLFEHGANIIESNQYTTDPEGGRFFLRIEFDCAGIREKKSSLQAAFASVAEKFDMTWSLTLASELKRVAIFVSKELHCLHELIWEWQTGNLMAEIAVVISNHEEAREL--VERLNIPF----HYMKANKDIRAEVEKKQLELLEQYDVDVIVLARYMQILTPDFVSAHPNRIINIHHSFLPAFIGANPYKRAYERGVKLIGATSHYVTNDLDEGPIIEQDIERVDHRDNAEALKNIGRTIERSVLARAVKWHLEDRVIVHENKTIVFN 1RBY Chain:B ((2-199)) --------------------------------------------------------------------------------------------------------RVAVLISGTGSNLQALIDSTREPNSSAQIDIVISNKAAVAGLDKAERAGIPTRVINHKLYKN---RVEFDSAIDLVLEEFSIDIVCLAGFMRILSGPFVQKWNGKMLNIHPSLLPSFKGSNAHEQALETGVTVTGCTVHFVAEDVDAGQIILQEAVPVKRGDTVATLSERVKLAEHKIFPAALQLVASGTVQLGENGKICW-

General information: TITO was launched using: RESULT: Template: 1RBY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 977 -153467 -157.08 -799.30 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -157.08 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.496

(partial model without unconserved sides chains): PDB file : Tito_1RBY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1RBY-query.scw PDB file : Tito_Scwrl_1RBY.pdb: