Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNLIYNEWLKIFSRAGTWVMIGILGLTMVGFAFLANHFSAGESNSHWKQELQAQNAELKKEIKEDPSLKDGYKETITLNDYRIEHNIPSDTGYTVWSYVTDSANFTILTGLFTIIIAAGIVANEFNWGTIKLLMIRPLSRFQILMSKYITVLLFGLLLLLILFIGSTLLGLIFFGTGGETAANIHLIYKDGHVIEQNMMGHLATTYLSESVSALMVATMAFMLSAVFRNSSLAVGFSIFLLVAGTTATAFIAAKFDWAKYILFANVDLTQYVDGTPLIKGMTMTFSLVMLAIYFIIFLLLAFGIFMKRDIAN 2W3P Chain:A ((21-55)) ---------------------------------------------KHWKLSFNGPVATLGIDIAEDGGIRDGYK--LKLNSY---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2W3P.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 : 64 982 15.34 28.06 target 2D structure prediction score : 0.34 Monomeric hydrophicity matching model chain A : 0.40 3D Compatibility (PKB) : 15.34 2D Compatibility (Sec. Struct. Predict.) : 0.34 1D Compatibility (Hydrophobicity) : 0.40 QMean score : 0.166

(partial model without unconserved sides chains): PDB file : Tito_2W3P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W3P-query.scw PDB file : Tito_Scwrl_2W3P.pdb: