Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MKTFFQFDELGTSYRNEIIGGLTTFLSMAYILFVNPITLALESVKDFPEALRIDQGAVFTATALASAAGCILMGLIARYPIAIAPGMGLNAFFAFSVVLGMGISWQAALSGVFISGLIFVALSLTGFR---EKIINAIPPELKLAVGAGIGLFITFVGLQGSGIITANPSTLVTIGNIHSGPVLLTIFGVIVTVILMVLRVNAGVFIGMLLTAVAGMIFGLVPVPTQIIGSVPSLAPTFGQAWIHLPDIFSVQMLIVILTFLFVGFFDTAGTLVAVATQAGLMKENKL-PRAGRALLADSSSIVIGAVLGTSTTTSYVESSSGVAAGARSGFAAIVTGILFLLATFFSPLLSVVTSNVTAPALIIVGALMVAPLGKIAWDKFEVAVPAFLTMIMMPLTYSIATGIAIGFI-FYPITMVCKGKAKEVHPIMYGLFVVFILYFIFLK-------------- 4QLA Chain:A ((19-442)) LDLEEWWGPPELKQKQDTSIKPFEITFS----ETMVKELKERIKKRRPFAPPL---EGVGFKYGFNSKQLDSWLKYWAEEYPFAERQKFLNQYPHFKTNIQGLNIHFMRITPKVPKGVEIVPLLLLHGWPGSVREFYEAIPHLTAVSKDRNFALEIIAPSLPGYGFSDAAVRP-----GLAAAEVAVIFKNLMARLGYKQYYVQGGDWGALIGSAMATFF------PKEIIGFHSNMALTLSPAATFLEFVGALFPSLIVEPELANRLYPLSEKYSTLLEELGYMHIQATKPDTVGIGLTDSPAGLLAYILEKFSTWTNPDLRSKEDGGLSYRWT---------KDQLIDNLMLYWSTKSIVTSMRLYAESFSSRHFDLKLDEIQVQVPTWVLQAKHELAYQPPCILKMKYPKLVNASVIEDG----------GHFLAFELPEIFAKDVLKAIGEFRKLKN

General information: TITO was launched using: RESULT: Template: 4QLA.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 : 2048 -290694 -141.94 -721.33 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -141.94 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.091

(partial model without unconserved sides chains): PDB file : Tito_4QLA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QLA-query.scw PDB file : Tito_Scwrl_4QLA.pdb: