Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAYFEKLLDSSQQQKQLPLIFPLLIALFSGAVFSFALAPYYWWWLAILSPALLYATLHNRSAKQAFAIGWSYGFGLWFVGAFWLYTSIHV-YGDTNAFLSVCMIAVMALVMGLFTAFQTWVYRRFFPETP--LTFAPLWIIFEWAK--TWVFTGFPWLFVGYAFTERLLDGYAPLFGIYAISFVVIV--LACALVEVLRKRIFWVI--PAALLVLGAWGASYIQFVQPKATKPLSVSLIQGNIPQDLKWLTEYQVRTLEIYAGLTQSEWGRDLIVWPESSIPLFQTDIEPFLDAMDAQAKKNHTAWVTGIPYWDVTKSHQVGSPLYYNSIMASGSDSSGLYKKQRLVPFGEYIPLSGLLSWVLPAMQNDISMSGFTRGESDQ--KPLLIKGHALAAAICYEVAYPNLTRRNAEDSDFLVTVSNDAWFTGTAGPWQHLQMVQMRAKENGRWFIRATNTGVTAFIDQNGHITEQAPIDKEFVLRGDLPAMQGQTFYNRLGDYPILGFAVLLLVLGWIYRPRKVDVSYKSRR 4QLA Chain:A ((19-442)) -LDLEEWWGPPELKQKQDTSIKPFEI------TFSETMVKELKERIKKRRPF----------APPLEGVGFKYGFNSKQLDSWLKYWAEEYPFAERQKFLNQ-YPHFKTNIQGLNIHFMRIT-----PKVPKGVEIVPLLLLHGWPGSVREFYEAIPHLTAVSKDRNFALEIIAPSLPGYGFSDAAVRPGLAAAEVAVIFKNLMARLGYKQYYVQGGDWGALIGSAMATFF--PKEIIGFHSNMALTL----SPAATFLEFVGALF-----PSLIVEPELANRLY-----PLSEKYSTLLEE-----------------------LGYMHIQATKPDTVGIGLTDSPAGLLAYI-LEKFSTWTNPDLRSKEDGGLSYRWTKDQLIDNLMLYWSTKSIVTSMRLYAESFSSRHFDLKLDEIQVQVPTWVLQAKHELAYQPPCILKMK-----YPKLVNASV---IEDGGHF-----------LAFELPEIFAKDVLKAIGEFRKLKN------------------------

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 : 2173 -135103 -62.17 -327.12 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -62.17 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.186

(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: