Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------MLRLV------YYQFLHNKKQWLGVSPVIFVS---SLVMGLAVNGVINVENNSQVFVGL---------PDPKPIFMFPIVFGGVTLFFVLSNIINMLVEIFRDDYELLEVLG--------ASRLQLSFLV----------------GGQIFIISSIISFIAYLCSIFVTSNYYYFLQYFFGEN---ILPDIQFQTSAV------------------------------------GCIITVVLI--SFLAFLSGCFYTFKKIRNRKSSKIRHVLSIVKRILLLAGFSVIWLLSLQQIFQDSTILAKAQIIFNIVI----LDIVIIYQLSPFIQSCFIKLLSIIIFRNNFMFIVSKWNLLYCKSYIKSISAAITG---AILLISSFQMISQNILSQ-FQDDSDLELKVAFIVYV------GAPILIV------------------------------------LANIISIAFLSSHQERIEIQQFEILGTSNYQMVKIKVGEAIF----------LTFVTSLIAFLLNIKIMALIYYSLEDILIDD-----MNLLGLILPN-FIVSIILFILIFITKSSYFIFKNAKIIS-------------- 5AKP Chain:B ((18-638)) VCAREPIHIPGLIQPYGVLLVIDPADGRIVQASTTAADLLGVPMAALLGMPYTQVLTLPEAQPFAVDDQPQHLMHAEVRFPQRATPPASAWVAAWHLYPQQWLVEMEPRDARLLDVTLREAMPLLRSVERDPGIAEAAVRVAKGLRSLIGFDRVMIYRFDEEWNGDIIAEARKPELEAYLGLHYPASDIPAQARALYLRNRVRQIADVGYQPSPIQPTVHPQLGTPVDLSDVSLRSVSPVHLEYLANMGVTATLVASIVVNDALWGLISCHHYSPHFTN-------HAMRDVTDAVARTLAGRIGALQAVARARLESVLLTVREKLITDFNDAEHMTVELLDDMAPDLMDV-VDADGVAIFHGN---DISRHGTTPDVAALRRIRDHIESEHHEALREDAVGALHVDAIGEVFPELADLAPLAAGFIFVPLMPQSRSALLWTRREQIQQIKWAGNPRKSFDLWQQTVRGRARRWSPLHLESARSLRVLIELMERKRFQQDFTLLEASLS--RLRDGVAIIERGTANAAHRLLFVNTAFADVCGSDVAELIGRELQTLYASDAPRANVELLQDALRNGRAAYVTLPLQVSDGAPVYRQFHLEPLPSPSGVTAHWLLQLRD

General information: TITO was launched using: RESULT: Template: 5AKP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1955 -148877 -76.15 -349.48 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -76.15 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.200

(partial model without unconserved sides chains): PDB file : Tito_5AKP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AKP-query.scw PDB file : Tito_Scwrl_5AKP.pdb: