Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKIIAINAGSSSLKFQLFEMPSETVLTKGLVERIGIADSVFTISVNGEKNTEVTDIPDHAVAVKMLLNKLTEFGIIKDLNEIDGIGHRVVHGGEKFSDSVLLTDETIKEIEDISELAPLHNPANIVGIKAFKEVLPNVPAVAVFDTAFHQTMPEQSYLYSLPYEYYEKFGIRKYGFHGTSHKYVTERAAELLGRPLKDLRLISCHLGNGASIAAVEGGKSIDTSMGFTPLAGVAMGTRSGNIDPALIPYIMEKTGQTADEVLNTLNKKSGLLGISGFSSDLRDIVEATKEGNERAETALEVFASRIHKYIGSYAARMSGVDAIIFTAGIGENSVEVRERVLRGLEFMGVYWDPALNNVR-GEEAFISYPHSPVKVMIIPTDEEVMIARDVVRLAK 3R9P Chain:A ((12-390)) -RRVLVINSGSSSLKFQLVDPEFGVAASTGIVERIGEES---------------SPVPDHDAALRRAFDMLAGDGVDLNTAGLVAVGHRVVHGGNTFYRPTVLDDAVIARLHELSELAPLHNPPALQGIEVARRLLPDIAHVAVFDTGFFHDLPPAAATYAIDRELADRWQIRRYGFHGTSHRYVSEQAAAFLDRPLRGLKQIVLHLGNGCSASAIAGTRPLDTSMGLTPLEGLVMGTRSGDIDPSIVSYLCHTAGMGVDDVESMLNHRSGVVGLSGV-RDFRRLRELIESGDGAAQLAYSVFTHRLRKYIGAYLAVLGHTDVISFTAGIGENDAAVRRDAVSGMEELGIVLDERRNLAGGKGARQISADDSPITVLVVPTNEELAIARDCVRVLG

General information: TITO was launched using: RESULT: Template: 3R9P.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 : 2039 -226391 -111.03 -598.92 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -111.03 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.620

(partial model without unconserved sides chains): PDB file : Tito_3R9P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R9P-query.scw PDB file : Tito_Scwrl_3R9P.pdb: