Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PIPRIIGPCEVKVLKAGVSQ--HLAYFKMGRETTKTFFVPVPGGSTYLFELRTTYDCTATILRWTMPRDYG-------------------------------------------------------------------------------------------------------------------------------------------------- 5MSX Chain:A ((21-459)) HNNPFGNALIPDMIADASIQEINGVFYCYATTDGYGQGLKTSGPPVVWKSKDFVHWSFDGTYFPSAAKEKYWAPSKAIFANGKYYIYPTINGYMYPAVADKPEGPFKLARGKDEFYKPFTPSTLLQSKNPGGIDAEIFVDDDGQAYVFWGRRHVAKLNEDMITVDSVVQVISTPRKEYSEGPIFFKRKGIYYYLYTIGGDEKYQYAYVMSRVSPMGPFEAPEQDIISTTNYERGIFGPGHGCVFHPEGTDNYYFAYLEFGRRSTNR--------QTYVNQLKFNEDGTIRPVELTMDGVGALKKVKSDKKMKIDTVYASSIEVPLKIEPMKDPTCLRTEYFVPSFAVDGANGSRWMAAAEDSINPWIVADLGTVKKVRRSEIYFVRPTAGHAYVIEASMDGKVWQEFAVHQDRKMCSPHTDVLNKRFRYLRIKILKGVPGIWEWNIY

General information: TITO was launched using: RESULT: Template: 5MSX.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 : 171 13230 77.37 216.89 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : 77.37 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.290

(partial model without unconserved sides chains): PDB file : Tito_5MSX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5msx-query.scw PDB file : Tito_Scwrl_5MSX.pdb: