Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSYMTQRLDEYRDGNEDKGRLLVSCPDQPGIVSAVSAFLFEHGANIIESNQYTTDPEGGRFFLRIEFDCAGIREKKSSLQAAFASVAEKFDMTWSLTLASELKR--VAIFVSKELHCLHELIWEWQTGNLMAEIAVVISNHEEAREL--VERLNIPFHYM--KANKDIRAEVEKKQLELLEQYDVDVIVLARYMQILTPDFVSAHPNRIINIHHSFLPAFIGANPYKRAYERGVKLIGATSHYVTNDLDEGPIIEQDIERVDHRDNAEALKNIGRTIERSVLARAVKWHLEDRVIVHENKTIVFN 1MEJ Chain:B ((11-210)) --------------------------------------------------------------------------------------------------------RILVAVLISGTGSNLQALIDSTREPNSSAQIDIVISNKAAVAGLDKAERAGIPTRVINHKLYKN-RVEFDSAIDLVLEEFSIDIVCLAGFMRILSGPFVQKWNGKMLNIHPSLLPSFKGSNAHEQALETGVTVTGCTVHFVAEDVDAGQIILQEAVPVKRGDTVATLSERVKLAEHKIFPAALQLVASGTVQLGENGKICW-

General information: TITO was launched using: RESULT: Template: 1MEJ.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 : 875 -146703 -167.66 -756.20 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -167.66 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.515

(partial model without unconserved sides chains): PDB file : Tito_1MEJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1MEJ-query.scw PDB file : Tito_Scwrl_1MEJ.pdb: