Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKERFQMKKYQWGIVGLGTIAHEFAESFNQE-TSELTAVASRTSEKAENFAHRYNIPKAYGSYQEMLDDAEIDIVYIAVPNRQHIDHILAALEAGKHVLCEKAITMNKKELADAMRLAEEKNLILAEAMTIFNMPLYQQLRSIMDTGKLGALKMIQAPFGSYK-EP---DPKNRFFNPELAGGALLDIGTYAVSFARFFLSSQPEVV-ASTMVPFETGVDEQSVTILRNKENELAAVSLTFQAKMPKVGIVAFENGYVTIADYPRADRAEILFTDGTKEFIESGN-TSEAMNYEIKNMVHMIEGDLP-N--RSLFLTKDVIEILDQMQVLWKNM 4NHE Chain:B ((3-322)) -------AMLKLGVIGTGAISHHFIEAAHTSGEYQLVAIYSRKLETAATFASRYQNIQLFDQLEVFFK-SSFDLVYIASPNSLHFAQAKAALSAGKHVILEKPAVSQPQEWFDLIQTAEKNNCFIFEAARNYHEKAFTTIKNFLADKQVLGADFNYAKYSSKMPDLLAGQTPNVFSD-RFAGGALMDLGIYPLYAAVRLFGK-ANDATYHAQQL-DNSIDLNGDGILFYPDY-QVHIKAGKNITSNLPCEIYTTDGTLTLNTIEHIRSAIFTDHQGNQ-VQLPIQQAPHTMTEEVAAFAHMIQQPDLNLYQTWLYDAGSVHELLYTMRQTAGI-

General information: TITO was launched using: RESULT: Template: 4NHE.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 : 1689 -48251 -28.57 -155.65 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -28.57 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_4NHE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NHE-query.scw PDB file : Tito_Scwrl_4NHE.pdb: