Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKDPLTIIEQAEDHFIERIAENMHAFGMPSTVGRVLGIIYMNRKPMTLTELSEATGMSKTRMSQVVREMLDANIAEKVFEKGVRKDLYEVEQDYYQTFITLFSATWSKVVSKNKMMHKKLNRELLSVLDEELTPEAEEKVNELLKELKEWLDYYNWLSRLIEFFESEDIFKYVPKP 4RGU Chain:A ((22-154)) ------YMIARVDRIISKYLTEHLSALEISLPQFTALSVLAAK-PNLSNAKLAERSFIKPQSANKILQDLLANGWIEKAPDPTH--RIL-----------VTVTPSGLDKLNQCNQVVQQLEAQMLQ----GVDINLAFLIRNNLELMVKNLSTF----------------------

General information: TITO was launched using: RESULT: Template: 4RGU.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 : 351 -49735 -141.70 -379.66 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -141.70 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.658

(partial model without unconserved sides chains): PDB file : Tito_4RGU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RGU-query.scw PDB file : Tito_Scwrl_4RGU.pdb: