Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAVILCGGKGTRMSEVTNDIPKPLAMIGGKPILWHIMKIYQYYGVNEFILLLGYK-GEKIKEYFLDYEWKHNSLTLDSSTGEVQMLGQPETWKITFLETGVDTLTAGRILQAKDYIGDETFLLTYGDGLANIN-LFHLISYHQTKGAAATVTGID--KVSQFGTLTVE-DGMAKTFSEKTSS--DGIINGGFFVLSPKVFDYLPKDG-NTMFED---EPLKNLAKDGELAVYR--HYGFWTAIDTYKNLLEVNKMWNQGQQVWKVW 1MC3 Chain:A ((4-244)) MKGIILAGGSGTRLHPITRGVSKQLLPIYDKPMIYYPLSVLMLAGIREILIITTPEDKGYFQRLLGDG--------------------SEFGIQLEYAEQPSPDGLAQAFIIGETFLNGEPSCLVLGDNIFFGQGFSPKLRHVAARTEGATVFGYQVMDPERFGVVEFDDNFRAISLEEKPKQPKSNWAVTGLYFYDSKVVEYAKQVKPSERGELEITSINQMYLEAGNLTVELLGRGFAWLDTGTHDSLIEASTFVQTVE------

General information: TITO was launched using: RESULT: Template: 1MC3.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 : 1177 -164022 -139.36 -719.39 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -139.36 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_1MC3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1MC3-query.scw PDB file : Tito_Scwrl_1MC3.pdb: