Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLQSLFLGILIIIAVLLLGVRQLEKTSGMSGAKVLTIYNWGDYIDPSLITKFEKEYGYKVNYETFDSNEAMFTKIQQGGTNYDIAIPSEYMIQKMIKEKLVLPLDHSKIKGLNNIDPRFLDL-D-FDPDNQYSIPYFWGTLGIVYNDKFFDAN-----QIKHWDDLWKP----ELKD-SLMLIDGAREVMGLSLNSLGYSLNSKNM-AQLTEAANKLNHLTPNVKAIVADEIKMYMINEEASVAVTFSGEAADMM------WENEHLHYVIPPEGSNLWFDNIVMPKTVKNKEGAYDFINFMLEPENAAQNAEYIGYSTPNEEAKALLPKDISSDEQFYPSDDTISHLEVYKDLGSKYLGIYNDLFLEFKMYRR 4JDF Chain:A ((4-344)) ---------------------------------QKTLHIYNWTEYIAPDTVANFEKETGIKVVYDVFDSNEVLEGKLMAGSTGFDLVVPSAYFLERQLTAGVFQPLDKSKLPEWKNLDPELLKLVAKHDPDNKFAMPYMWATTGIGYNVDKVKAVLGENAPVDSWDLILKPENLEKLKSCGVSFLDDPEEVFATVLNYLGKDPNSTKADDYTGPATDLLLKLRPNIRYFHSSQYINDLANGDICVAIGWAGSVWQASNRAKEAKNGVNVSFSIPKEGAMAWFDVFAMPADAKNKDEAYQFLNYLLRPDVVAHISDHVFYANANKAATPLVSAEVRENPGIYPPADVRAKLFTQKVQDPKIDRVRTRAWTKVKSG--

General information: TITO was launched using: RESULT: Template: 4JDF.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 : 1741 -939 -0.54 -2.92 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -0.54 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.520

(partial model without unconserved sides chains): PDB file : Tito_4JDF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JDF-query.scw PDB file : Tito_Scwrl_4JDF.pdb: