Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQEMMEIVQQKQLAPKIFEMTLKGDLVKEMQQPGQFLHILVPRADLLLRRPISLNHIDHETNTCRIIYRVEGEGTRVFSTLSAGDH-LDVMGPLGNGFDLSNLHTGDEVFIIGGGIGVPPLYELSKQLVEKGIKPTHFLGFATHEVVYYEKEFNRLG-ETRIATDDGTYGMHGNVGNLLL-----GTKTEPTAVFACGSNGLLKTVEQLFSSHQ-NVQLSLESRMACGIGACYACVCHTPEDETGTKSVKVCDEGPIFKIGEVII 5JCA Chain:S ((7-249)) ----MFKILRKERLAPGINLFEIESPRIAKHAKPGQFVMIRLHEKG--ERIPLTIADVDISKGSITIVAQEVGKTTRELGTYEAGDYILDVLGPLGKP---SHIDYFGTVVMIGGGVGVAEIYPVAKAMKEKGNYVISILGFRTKDLVFWEDKLRSVSDEVIVTTNDGSYGMKGFTTHALQKLIEEGRKID--LVHAVGPAIMMKAVAELTKPYGIKTVASLNPIMVDGTGMCGACRV-----TVGGEVKFACVDGPEF-------

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 : 1328 -87942 -66.22 -374.22 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain S : 0.74 3D Compatibility (PKB) : -66.22 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.459

(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: