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:A ((1-237)) MKGIILSGGSGTRLYPLTKVVSKQLLPVYDKPMVYYPLSVLMLAGIKDILIISTPEDTPRFEQLLGGGSELGISLSYAVQSSPDGLAQAFIIGEEFIGDDNVALVLGDNIFYGHGFTELLQRAANRKSGATIFGYNVKDPQRFGVVEFDEKGKVI-SIEEKPEEPKSSYAVTGLYFYDNRVVDIAKNITPS--GELEITDVNKAYLELGELHVELLGRGFAWLDTGTHESLLQASQFI-----------

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 A - contact count / total energy / energy per contact / energy per residue : 1281 -72497 -56.59 -312.48 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -56.59 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.509

(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: