Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------MLQAVYLTPIELHQTPDWSDRPYNI----HRDPLWKTEKQGKEFDDVWFYHCDHLGT-PQEMTDHTGAIIWKAEYK------AWGECKAEKAKS-----------NFFENSEIIS-NNIRFQGQYFDEETGLHYNRYRYYSPY------VGRFVSKDPIGLLGG------------------SNNYAYAPSPTEWVDPLGLSCQK-------------------IPKGFKSFGQLKQ-------FGQAMQAGFSKLGFK---------GATMYMQGSAHSGRSFETGKAFDDGRV-SDFDIAVVQPELFEKAKKM---------GIAKGNRTLPIEINS----------VEANKLGINGVLQKMSKLAG-----GRDVNVMIFDSPESAKAKAE-GTRIPANCM---- 3J9O Chain:B ((79-505)) VIDKLIDLQVNSIISNDEFRALEQEWLKVQEVCQ-EDYDNVEVSILDVKKEELQYDFERNLYDISSSDFFKKVYVSEFDQYGGEPYGAILGLYNFENTTNDIIWLTGMGMVAKNSHAPFIASIDKSFFGVKDLSEITHIKSFEALLEHPRYKEWNDFRNLDVAAYIGLTVGDFMLRQPYNPENNPVQYKLMEGFNEFVDYDKNESYLWGPASIHLVKNMMRSYDKTRWFQYIRGVESGGYVKNLVACVYDNKGILETKSPLNVLFADYMELSLANIGLIPFVSEKGTSNACFFSVNSAKKVEEFVDGFDSANSRLIANLSYTMCISRISHYIKCVIRDKIGSIVDVESIQKILSDWISEFVTTVYQPTPLEMARYPFRNVSIEVKTIPGKPGWYSCKINVIPHIQFEGMNTTMTIDTRLEPELFGTNN

General information: TITO was launched using: RESULT: Template: 3J9O.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 : 1296 57204 44.14 193.91 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : 44.14 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.174

(partial model without unconserved sides chains): PDB file : Tito_3J9O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J9O-query.scw PDB file : Tito_Scwrl_3J9O.pdb: