Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKERFQMKKYQWGIVGLGTIAH-EFAESFNQE-TSELTAVASRTSEKAENFAHRYNIPKAYGSYQEMLDDAEIDIVYIAVPNRQHIDHILAALEAGKHVLCEKAITMNKKELADAMRLAEEKNLILAEAMTIFNMPLYQQLRSIMDTGKLGALKMIQAPFGSYKEPDPKNRFFNPELAGGALLDIGTYAVSFARFFLSSQPEVV-ASTM-VPFETGVDEQSVTILRNKENELAAVSLTFQAKMPKVGIVAFENGYVTIADYPR-----ADRAEILFTDGTKEFIESGNTSEAMNYEIKNMVHMIEGDLPN-RSLFLTKDVIEILDQMQVLWKNM 4HAD Chain:C ((22-344)) -------SMLRFGIISTAKIGRDNVVPAIQDAENCVVTAIASRDLTRAREMADRFSVPHAFGSYEEMLASDVIDAVYIPLPTSQHIEWSIKAADAGKHVVCEKPLALKAGDIDAVIAARDRNKVVVTEAYMITYSPVWQKVRSLIDEGAIGSLRHVQGAFTYFNR-DA------------GLPDIGVYPVMSTRFSTGKEPLRIQANTERDP-DFGTDIYSSVKADFDDF-ELSFYVSTQMANRQIMVFHGTNGYIEVKSPFNANRWGPEEIELADRSHNESRIFRFQDSRQYRREVEAFARAVENGKEEVVTLENSKLNQKVIDAIYRASEK-

General information: TITO was launched using: RESULT: Template: 4HAD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1695 13446 7.93 44.67 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain C : 0.75 3D Compatibility (PKB) : 7.93 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_4HAD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HAD-query.scw PDB file : Tito_Scwrl_4HAD.pdb: