Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERTENLKKGEKGALLNIFAYVILAVVKLVIGILYHSEALRADGLNNGTDIVASVAVLIGLRISQRPADSDHPYGHYRAETISSLVASFIMMAVGIEVLIGGGKAIAGGTTETPNLIAAWTALGSAVFMYGIYLYNKRLAASIKSSALMAAAKDSRSDAFVSAGAFIGVFSSQLKLPWVDPVTAFIIGIIICKTAWDIFKDASHSLTD-GFHLKDLEPYKQTVGRIENVHRLKDVKARYLGSTVHIEMVITVDPKLTVEEGHGVADEVEDKIKHEHDVTHVHVHVEPDDIK 3J1Z Chain:P ((4-291)) --TSQYDFWVKLASRASVATALTLITIKLLAWLYSGSASMLASLTDSFADTLASIINFIAIRYAIVPADHDHRYGHGKAEPLAALAQSAFIMGSAFLLLFYGGERLLNPSPVENATLGVVVSVVAIVLTLALVLLQKRALAATNSTVVEADSLHYKSDLFLNAAVLLALVLSQYGWWWADGLFAVLIACYIGQQAFDLGYRSIQALLDRELDEDTRQRIKLIAKEDPRVLGLHDLRTRQAGKTVFIQFHLELDGNLSLNEAHSITDTTGLRVKAAFEDAEVIIHQDPVQV-

General information: TITO was launched using: RESULT: Template: 3J1Z.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain P - contact count / total energy / energy per contact / energy per residue : 1223 -107686 -88.05 -375.21 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain P : 0.77 3D Compatibility (PKB) : -88.05 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.295

(partial model without unconserved sides chains): PDB file : Tito_3J1Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J1Z-query.scw PDB file : Tito_Scwrl_3J1Z.pdb: