Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKRYTCQNGVRIVLENNPTVRSVAIGVWIGTGSRHETPEINGISHFLEHMFFKGTST-KSAREIAESFDRIGGQVNAFTSKEYTCYYAKVLDEHANYALDVLADMFFHSTFDENELKKEKNVVYEEIKMYEDAPDDIVHDL-----LSKATYGNHSLGYPILGTE-----ETLASFNGDSLRQ----YMHDYYTPDRVVISVAGNIS-DSFIKDVEKWFGSYEAKGKATGLEKPEFHTEKLTRKKETEQAHLCLGFKGLEVGHERIYDLIVLNNVLGGSMSSRLFQDVREDKGLAYSVYSYHSSYEDSGMLTIYGGTGANQLQQLSETIQETLATLKRDGITSKELENSKEQMKGSLMLSLESTNSKMSRNGKNELLLGKHKTLDEIINELNAVNLERVNGLARQLFTEDYALALISPSGNMPS 2WK3 Chain:A ((71-300)) --------NGIKVLLISDPTTDKSSAALDVHIGSLSDPPNIAGLSHFLQHMLFLGTKKYPKENEYSQFLSEHAGSSNAFTSGEHTNYYFDVSHEHLEGALDRFAQFFLSPLFDESAKDREVNAVDSEHE------KNVMNDAWRLFQLEKAT-GNPKHPFSKFGTGNKYTLETRPNQEGIDVRQELLKFHSAYYSSNLMAVVVLGRESLDDLTNLVVKLFSEVENK----NVPLPEF--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2WK3.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 : 915 -69850 -76.34 -345.79 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -76.34 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_2WK3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WK3-query.scw PDB file : Tito_Scwrl_2WK3.pdb: