Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKTIAINAGSSSLKWQLYQMPEETVVAK-GIVERIGLQDSIFTIKYGDNQKFEQIMDIENHEVAVKMLLDQLIELQILSSYDEITGVGHRVVHGGETYGDSVVIDEKVMDRIAELAEFAPLHNPANLMGIKAFKKILPDILSVAVFDTSFHSTMPKQNYLYSLPVSYYEDFKVRKYGFHGTSHRYVSERAAKLLNKPIEELKIITCHLGNGVSITAVDGGKSMDTSMGFTPLAGVTMGTRSGDIDPAVLPYLMEKLEIDIDEMINVLNKKSGLLGLTGLSSDMRDLEKNYEK--EHIRLAYDIFVDRIRKYIGGYVTTMNGVDAIVFTAGIGENDGHVRSEIIKGMSWFGCEIDPALNELRGEEV-DISTKESKVRVLVIPTDEELMIARDVERLRG 3R9P Chain:B ((13-390)) --RVLVINSGSSSLKFQLVD-PEFGVAASTGIVERIG----------------E--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 B - contact count / total energy / energy per contact / energy per residue : 1995 -29324 -14.70 -78.83 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -14.70 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.533

(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: