Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAINKAVSIDTAFQTIMQELRERSARFLGTKQAVSEEKAEFDCPYCKDRGIVVYRVHKDTSWHLDEQLDLMVPDDMVSEDDFLLGKVCTPDKASEWKDTYSKQCECVRRKKIARLMAASGITEEFEKLLFGNFITDGKPDMIKDAYECAVEYYKDFQKIKGERQNSIALLGQPGSGKTHLLTAIMNNLIKKKSVHCMYFP---YVEGMGD-LKANFDNLEAKLDAMRKVEVLFIDDLFKPINGQPRATDWQVEQIQSVLNYRYLNHKPLLISSELTIDEILDIDEALGSRIHQMCRDYIVIIRGDRMQLNHRLGDWE 3R8F Chain:A ((12-159)) -----------------------------------------------------------------------------------------------------------------------------------NFIV-GEGNRL--AYEVVKEALENL----GSLYNPIFIYGSVGTGKTHLLQA-AGNEAKKRGYRVIYSSADDFAQAMVEHLKKGTIN-EFR-NMYKSVDLLLLDDV-QFLSGKERT---QIEFFH-IFNTLYLLEKQIILASDRHPQKLDGVSDRLVSR---------------------------

General information: TITO was launched using: RESULT: Template: 3R8F.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 : 595 -18442 -30.99 -131.73 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -30.99 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.423

(partial model without unconserved sides chains): PDB file : Tito_3R8F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R8F-query.scw PDB file : Tito_Scwrl_3R8F.pdb: