Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKIVALVGDGIGPEIMEAGLEVLEALAEKTGFDYEIDRRPFGGADIDAAGPPLPDETLKASREADAILLVAIGSPQYDGV--AVRP-EQGLMALRKELNLYANIRPVKIFDSLKYLSPLKPER-ISGVDFVVVRELTGEIYFGDHILEERKARDINDYSYEEVERIIRKAFEIARNRRKIVTSIDKQNVLATSKLWRKVAEEVAQDFPDVTLEHQLVDSAAMLMITNPAKFDVIVTENLFGDILSDESSVLSGTLGVMPSASHSENGPSLYEPIHGSAPDIAGQGIANPISMILSVVMMLRDSFG-RYEDTERIKRAVETSLAAGILTRDIGGQ--ASTKEMMEAIIARL 3UDU Chain:H ((6-355)) -TYKVAVLAGDGIGPLVMKEALKILTFIAQKYNFSFELNEAKIGGASIDAYGVALSDETLKLCEQSDAILFGSVGGPKWD-LPIDQRPERASLLPLRKHFNLFANLRPCKIYESLTHASPLKNEIIQKGVDILCVRELTGGIYFGKQDLGKESAYDTEIYTKKEIERIARIAFESARIRKKKVHLIDKANVLASSILWREVVANVAKDYQDINLEYMYVDNAAMQIVKNPSIFDVMLCSNLFGDILSDELAAINGSLGLLSSASLNDKGFGLYEPAGGSAPDIAHLNIANPIAQILSAALMLKY-SFKEEQAAQDIENAISLALAQGKMTKDLNAKSYLNTDEMGDCILEIL

General information: TITO was launched using: RESULT: Template: 3UDU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 1953 -50350 -25.78 -147.22 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain H : 0.82 3D Compatibility (PKB) : -25.78 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.584

(partial model without unconserved sides chains): PDB file : Tito_3UDU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UDU-query.scw PDB file : Tito_Scwrl_3UDU.pdb: