Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNATLNYQPHWVREDFVDFVLQKINATWAWKRVLAEVTAVQSLHTDMVLIKLKPNRNFNFDQVRAGESILLTLLIDGVYQQRSYSIIEVT-TQGEIALGIKVQGLVSRAAQLLHVGEC-VEISQPQGDFTLHQGQQPAILIASGSGVTAIYSLLQQALKQQLEQIHVIYFNRA---EIFHAELKALAEQYPQLQYHFFNTTEQ----KQHLTESLLQKLVP-DFEQTATYVCGHHGMMQQANEIYTQKGAQSQLHQEYFQPLQVTGTHAAQPVIFRRAQQEFLAETNLLGSAEQAGLRPQHGCRMGVCNKCSCTKVSGVTQNLLTGEIEDQPNRPIKLCVSQALSPVTIDL 5JCA Chain:S ((6-250)) --------------------------------MMFKILRKERLAPGINLFEIESPR--IAKHAKPGQFVMIRLHEK--GERIPLTIADVDISKGSITIVAQEVGKTTRELGTYEAGDYILDVLGPLGKPSHIDYFGTVVMIGGGVGVAEIYPVAKAMKEKG-NYVISILGFRTKDLVFWEDKLRSVSDE-----VIV-TTNDGSYGMKGFTTH-ALQKLIEEGRKIDLVHAVGPAIMMKAVAELTKPYGIK---------------------TVA--------------------SLNPIMVDGTGMCGACRVTV-GG---------------EVKFACVDGPEFD-----

General information: TITO was launched using: RESULT: Template: 5JCA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain S - contact count / total energy / energy per contact / energy per residue : 1318 -31374 -23.80 -133.51 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain S : 0.64 3D Compatibility (PKB) : -23.80 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.431

(partial model without unconserved sides chains): PDB file : Tito_5JCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5JCA-query.scw PDB file : Tito_Scwrl_5JCA.pdb: