Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLFIQNDQQRQWMEKIGRIADE-FQQTAAEDDEQGRFPAEKIQKLRDAGYTALTLPASHGGGGISVYDMLLFQERLARGDAPTALSIGWHLSVI-GELGEGNSWDEDVFAFVAKEVQNGA-VINRAATEAKTGSPTRGGRPGTHAVKKDGKWAVNGRKTFTTMSQALDYFLVTAWIED---KQTTGVFLIHKDDPGLSIEETWDMMAMRATGSHDLVLNEVMLDENKLVELLQGP-RG--AKPNGWLLHIPAIYLGVAQAARDYAVQFASEYSPNSLNGPIKNVPAVQQRTGEMELELLNARHFLFHIAQLYDDPVRRPHLTSELGAAKHIVTNAALSVVDKAMRIVGAKSLERTNPLQRYYRDVRAGLHNPPMDDAVIHKLAAEAFES 4IRN Chain:A ((39-415)) ----AWNSQQIQFRKKVIQFAQQSLISDLIKNDKEEIFNRDAWQKCSEFGVHGWPIPARYGGQELDILTTAYALQGLGYGCKDNGLIFAMNAHIWACEMPLLTFGTEEQKEKYLPLLCRGGWIASHAATEPQAGSDIYS--LKTTAQKDGDKYILNGYKHYVTNGTIADLFIIFATIDPSLGKEGLTTFMIEKDTPGLILSKPISKMGMRTAEVPELRLENCEVSAANRLGEEGTGLAIFNHSMEWERGFILAAAVGTMERLLEQSIRYARSHKQ--FGQAIGKFQLVANKLVEMKLRLENAKAYLYKVAWMKENKQ---MALLEASMANLYISEAWVQSCLEAIEIHGAYGYLTNTELERELRDAIASKFYSGTSEIQRVVIAKFLG--

General information: TITO was launched using: RESULT: Template: 4IRN.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 : 1995 -141136 -70.74 -383.52 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -70.74 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.384

(partial model without unconserved sides chains): PDB file : Tito_4IRN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IRN-query.scw PDB file : Tito_Scwrl_4IRN.pdb: