Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTFVDAARSFRTQFDLNFSEKIIVDFFAGGGGASTGLEMGLNRPVYVAVNHNPKAISMHEANHPH---AKHYIQDVFAVDPIDI-------------CDGHQVGWFHASPDCTHHSQAAGGQPRK-KEIRDLSWVVLKFAGKVKPDVISLENVKQILGWGPLIAKRDKATGRVITLDKININGKKVNRIAEPGERVPRHNQFLVPNPKKKGKTWKHFVRSLEQLGYEVEW---------QKNIIAADFGAPTKRERLFLIARCDGQPI--VWPEKYFSKKPKGNLKKWRSTVECVDFSDLGNSIFDRPQGPLADATLKRIAKGIQKYVIETKEPFFVNSSTPFIGRDFRTSFGHDIREPLATTTAGYGGHSSLISPILVPFITEFANASQQRNWSIDEPLSTICAQVKGGHHGLVTAKLSKDNYKGALRVAAFLINYYGNGDARSITEPMDTITTKDRLVLVTVWIKGEPWAIVDICIRMLKPRELFRAQGVPDSYVIEYGSDGKPLSKKDQVFMVGNSVSPYPMAAIARANNPFITQQIKGAA 3ME5 Chain:A ((84-331)) ------------------HYAFRFIDLFAGIGGIRRGFESI-GGQCVFTSEWNKHAVRTYKANHYCDPATHHFNEDIRDITLSHQEGVSDEAAAEHIRQHIPEHDVLLAGFPCQPF----------CDTQGTLFFDVVRIIDARRPAMFVLENVKNLKSHD-------------------------------------------------KGKTFRIIMQTLDELGYDVADAEDNGPDDPKI-IDGKHF-LPQHRERIVLVGFRRDLNLKADFTLRDISEC---FPAQRVTLAQLLDPMV-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ME5.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 : 868 -32554 -37.50 -172.24 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -37.50 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.355

(partial model without unconserved sides chains): PDB file : Tito_3ME5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ME5-query.scw PDB file : Tito_Scwrl_3ME5.pdb: