Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTENFWRELPRPFFVLAPMEDVTDVVFRHVVSEAGRPDVFFTEFTN------SESYCHPDG--KDS----VRGRLTFT-EDEQPIVAHIWGDKPENFRKMSIGMAELGFKGLDINMGCPVPNVAGNGKGSGLICRPAVAAELIQAAKA-GGLPVSVKTRLGYTDVDEWREWLTHILKQDIANLSIHLRTRAEMSKVDAHWELIPEIKKLRDEVAPDTLLTINGD----IPDRQTGLKLAEQYGVDGIMIGRGIFTNPFAFEKEPKEHSSKELLDLLRLHLDLHDEYSKEEARPYKPLPRFFKIYLRGFRGASELRNQCMNTKSTDEVRALLDDFERKYLDGIE 4XP7 Chain:A ((14-321)) -------LCYHNKLILAPMVRVGTLPMRLLALDY-GADIVYCEELIDLKMIQCKRVVNEVLSTVDFVAPDDRVVFRTCEREQNRVVFQMGTSDAERALAVARLVE-NDVAGIDVNMGCPKQ---------ALLSDPDKIEKILSTLVKGTRRPVTCKIRILPSL-EDTLSLVKRIERTGIAAIAVHGRKREERPQHPVSCEVIKAIADTL-----SIPVIANGGSHDHIQQYSDIEDFRQATAASSVMVARAAMWNPSIFLKEGL----RPLEEVMQKYIRYAVQYDN----HYTNTKYCLCQMLREQLE-SPQGRLLHAAQSSREICEAFG-----------

General information: TITO was launched using: RESULT: Template: 4XP7.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 : 1541 -195397 -126.80 -695.36 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -126.80 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.470

(partial model without unconserved sides chains): PDB file : Tito_4XP7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XP7-query.scw PDB file : Tito_Scwrl_4XP7.pdb: