Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAYLDLLQHILDNGGDKGDRTGTGTRSVFGHQMRFDLSKGFPLLTTKKVHFRSIVIELLWFLKGDTNVKYLQDNKVTIWDEWATAEQTARFGRPEHELGPVYGHQWRNFGATKNADGTYNQDGFDQIKWLINEIKTNPNSRRLIVSGWNPNEAGQVALPPCHTLFQFFVQDNKLSCQLYQRSADVFLGVPFNIASYALLTHMIAQVCGLGVGDFVWTGGDIHLYANHFEQAKLQLMREPLPLCQLKLNPDVKDIFDFKFEDIEIVGYESHPAIKAPVAV 4KNZ Chain:A ((4-264)) -KQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENG---------DLGPVYGKQWR---AWPTPDGRH----IDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAPVAI

General information: TITO was launched using: RESULT: Template: 4KNZ.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 : 1290 -30676 -23.78 -117.53 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.90 3D Compatibility (PKB) : -23.78 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.168

(partial model without unconserved sides chains): PDB file : Tito_4KNZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KNZ-query.scw PDB file : Tito_Scwrl_4KNZ.pdb: