Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MREPDFLNHFLKKGYFKKHAKAVLALSGGLDSMFLFKVLSTYQKELEI-ELILAHVNHKQRIESDWEEKELRKLAAEAELPIYISNF--------SGEFSEARARNFRYDFFQEVMKKTGATALVTAHHADDQVETIFMRLIRGTRLRYLSGIKEKQVVGEIEIIRPFLHFQKKDFPSIFH------FEDTSNQENHYFRNRIRNSYLPELEKENPRFRDAILGIGNEILDYDLAIAELSNNINVE-------DLQQLFSYSESTQRVLLQTYLNRFPDLNLTKAQFAEVQQILKFKSQYRHPIKNGYELIKEYQQFQICKISPQADEKEDELVLHYQNQVAYQGYLFSFGLPLEGELIQQIPVSRETSIHIRHRKTGDVLIKNGHRKKLRRLFIDLKIPMEKRNSALIIEQFGEIVSILGIATNNLSKKTKNDIMNTVLYIEKIDR 1WY5 Chain:A ((1-311)) MNPESRVIRKVLALQNDEKIFSGERRVLIAFSGGVDSVVLTDVLLKLKNYFSLKEVALAHFNHMLRESAERDEEFCKEFAKERNMKIFVGKEDVRAFAKENRMSLEEAGRFLRYKFLKEILESEGFDCIATAHHLNDLLETSLLFFTRGTGLDGLIGFLPKE----EVIRRPLYYVKRSEIEEYAKFKGLRWVEDETNYEVSIPRNRIRHRVIPELKRINENLEDTFLKMVKVLRAEREFLEEEAQKLYKEVKKGNCLDVKKLKEKPLALQRRVIRKFIGE-----KDYEKVELVRSLLEKGGEVNLG--------------------------------------------------------------------------KGKVLKRKERWL----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1WY5.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 : 1248 72930 58.44 256.79 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 58.44 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_1WY5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WY5-query.scw PDB file : Tito_Scwrl_1WY5.pdb: