Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKILVIDDHPAVMEGTKTILETDSNLSVDCLSPEPSEQFIKQHDFSSYDLILMDLNLGGEVNGMELSKQILQENPHCKIIVYTGYEVEDYFEEAIRAGLHGAISKTESKEKITQYIYHVLNGEILVDFAYFKQLMTQQKTKPAPSSQKEQDVLTPRECLILQEVEKGFTNQEIADALHLSKRSIEYSLTSIFNKLNVGSRTEAVLIAKSDGVL 4YN8 Chain:A ((7-198)) --RVMLIDDHPVVRAGLRSILDSFDDITVVAEASDGSNINTK-----GIDVVVTDIQMPG-TDGITLTRA-LANAGGPPVLILTTYDTEADILAAVEAGAMGYLLKDAPESALHDAVVATFEGRRTLAPEVANALM-QRVSKP-------RQALSAREIEILQNLEQGLSNRQLAAKLFISEATVKTHLVHIYSKLGVDNRTAAITAAR-----

General information: TITO was launched using: RESULT: Template: 4YN8.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 : 853 -113679 -133.27 -592.08 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -133.27 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.589

(partial model without unconserved sides chains): PDB file : Tito_4YN8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YN8-query.scw PDB file : Tito_Scwrl_4YN8.pdb: