Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKDDQKYLLAGLYSLLVAIFYFPLIDSKGIFVSILMAVLLLYLIYFIATVIHIVIIKFIRKKSFKYLVLYPFTYDGSWRFQPINLLYFPEMVRDVIPINLVQEYCQGQPYGLLKKMLKRIRLSREIALLLATIIVYFFTHRILPLSVFTFMFSYILLFVQSYLGSNTAWIGNRRLIIDDEFEKILLSKSYVKEISSARYSEYLTCEYKNLTPIILIAIFENLL--DSYLLQNQSEVDLDIFYKVLPLLYKEKYTMGFNYFVSLNYLLYKVGFLGIIYDNEALRDLSKQYLNKNISELQDGSFEGGIQDAVASKQIVVINEFIACLNSRCVPSQYDRFFYKDRPYIFSRKSPIKG 1RKU Chain:A ((1-206)) -------------------------------------DMEIACLDLEGVLVPEIWIAFAEKTGIDALKA-----------TTRDIPDYDVLMKQRLRILDEH----GLKLGDIQEVIATLKPLEGAVEFVDWLRERF-QVVILSDTFYEFSQPLMRQLGFPTLLCHKLEIDDSDRVVGYQLRQKDPKRQSVIAFKSLYYRVIAAGDSYNDTTMLSEAHAGILFHAPENVIREFPQFPAVHTYEDLKREFLKASSRSLSL-----------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1RKU.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 : 991 -147185 -148.52 -721.50 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -148.52 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.174

(partial model without unconserved sides chains): PDB file : Tito_1RKU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1RKU-query.scw PDB file : Tito_Scwrl_1RKU.pdb: