Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIRHPTRDTDILRLLQMLGIEASRIVEYRHGIAARNFHIVCM-DGTTRVVRYDTRRTAADIREDRMLGTLAVRNGIN-APTGNWL-----IHELGNATVVIRQHLAGTTLAELP-PATWPDARRLGEVLRSIHEFPQPVIARKFFYAPVLDML---DRQWQ---TIRD-A---VAS---IAETADLAALLRYALQQFDHA-----TEIETLRLSPTGLIHGDFTPANILIH-EHGLTVLDWEKSCIGPVCADIAQSLYYFTAHSSKIGIFATSFLEGYGKPDWYKPDVIKAWMTLHPAFILLTDAANTFINQRLPLPARNPHREAYFRDVSVPRYRAYLAHQRDLLSIVS 4PDY Chain:A ((25-301)) ------------QAVVSKYDLAIQ---QR---HADGNIEVWTDSKGRRYAAKRSSI-APAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRHGDFTYYVTEWVSGQPANFGLPEHVAQTAYTLAQFHEATRSFRTDWK-----DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERS-SGG--WCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERGNWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRF----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4PDY.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 : 974 -41047 -42.14 -167.54 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -42.14 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.277

(partial model without unconserved sides chains): PDB file : Tito_4PDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4pdy-query.scw PDB file : Tito_Scwrl_4PDY.pdb: