Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAYLDLLQHILDNGGDKGDRTGTGTRSVFGHQMRFDLSKGFPLLTTKKVHFRSIVIELLWFLKGDTNVKYLQDNKVTIWDEWATAEQTARFGRPEHELGPVYGHQWRNFGATKNADGTYNQDGFDQIKWLINEIKTNPNSRRLIVSGWNPNEAGQVALPPCHTLFQFFVQDNKLSCQLYQRSADVFLGVPFNIASYALLTHMIAQVCGLGVGDFVWTGGDIHLYANHFEQAKLQLMREPLPLCQLKLNPDVKDIFDFKFEDIEIVGYESHPAIKAPVAV 1DDU Chain:A ((2-265)) MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENG---------DLGPVYGKQWR---AWPTPDGRH----IDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAPVAI

General information: TITO was launched using: RESULT: Template: 1DDU.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 : 1302 -181803 -139.63 -688.65 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.91 3D Compatibility (PKB) : -139.63 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.569

(partial model without unconserved sides chains): PDB file : Tito_1DDU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DDU-query.scw PDB file : Tito_Scwrl_1DDU.pdb: