Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAYLDLLQHILDNGGDKGDRTGTGTRSVFGHQMRFDLSKGFPLLTTKKVHFRSIVIELLWFLKGDTNVKYLQDNKVTIWDEWATAEQTARFGRPEHELGPVYGHQWRNFGATKNADGTYNQDGFDQIKWLINEIKTNPNSRRLIVSGWNPNEAGQVALPPCHTLFQFFVQDNKLSCQLYQRSADVFLGVPFNIASYALLTHMIAQVCGLGVGDFVWTGGDIHLYANHFEQAKLQLMREPLPLCQLKLNPDVKDIFDFKFEDIEIVGYESHPAIKAPVAV 2KCE Chain:A ((1-264)) MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENG---------DLGPVYGKQWR---AWPTPDGRH----IDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAPVAI

General information: TITO was launched using: RESULT: Template: 2KCE.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 : 1286 -189422 -147.30 -717.51 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.91 3D Compatibility (PKB) : -147.30 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.568

(partial model without unconserved sides chains): PDB file : Tito_2KCE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KCE-query.scw PDB file : Tito_Scwrl_2KCE.pdb: