Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKGVILAGGNGSRLMPLTKAVNKHLLPVGPYPMIYWSIMKLQEAGIKDILLISQKEHMPQFYKLLGNGEELGVTITYQVQPAASGISDGLSYAKRFTKKESFILLLGDNIF-EDSLKPYTERFEQQGKGAKVLLKEVDDPERFGIAEIDEKNKRIRSIIEKPEQPPTNLCVTGIYMYDAEVFSYIEQISPSKRGELEITDVNNLYIENSQLTYDVLS-GW-WVDAGTHESLYLASQLVHQALRKGQDEK 4HOC Chain:B ((1-237)) MKGIILSGGSGTRLYPLTKVVSKQLLPVYDKPMVYYPLSVLMLAGIKDILIISTPEDTPRFEQLLGGGSELGISLSYAVQSSPDGLAQAFIIGEEFIGDDNVALVLGDNIFYGHGFTELLQRAANRKSGATIFGYNVKDPQRFGVVEFDEKGKVI-SIEEKPEEPKSSYAVTGLYFYDNRVVDIAKNITPSA--ELEITDVNKAYLELGELHVELLGRGFAWLDTGTHESLLQASQFI-----------

General information: TITO was launched using: RESULT: Template: 4HOC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1282 -77855 -60.73 -335.58 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.87 3D Compatibility (PKB) : -60.73 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_4HOC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HOC-query.scw PDB file : Tito_Scwrl_4HOC.pdb: