Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQD-EQVRAWLER-ELDGTVVAFERQERWRAAWFAELKNQGELRSYYVRGHRGGNFREMITLGQEADINRVLHRHGVPVPRVHGMIDDPPAIVM----DRLPGRVNLATALDDAEREAVLDQYVDAMCRMHAIDV--NEFGALGLPVPADNRAAALNMYATGERNYRRAKTAPSPMIEFMWRWLC-RNVPAGRTQQGLIQADAAQFLFEQGRMTGLIDFEAAYIGDPIAEFAAMRSRDCEEPLGDIGRIARRYEAVTGEPVDRDAVEFHTAGWSL--------MTPFQWEDSVRNPAPGDSWLEYFTWLVGCGRWALEAIAAVAGAPLPTVEA---PAQRPSSYSSAAYTNLMSLLDE--WPTASAYEGFRADSARAVTRF-AEHVHAFGADLEGAAVEEISELLGTR-------------QPDLATAEAALEQFVLRASPDLDVALVQYFHRWTQRQQFLIAGTGARHE--KLIHLSLQPLT-ADAWQAEGQSRRHA------------------ 4IWS Chain:A ((23-515)) MNRSALDFRHFVDHLRRQGDLVDVHTEVD------ANLEIGAITRRVYERRAPAPLFH---NIRDSLPGARVL---GAPAGLRADRARAHSRLALHFGLPEHSGPRDIVAMLRAAMRAEPIAPRRLERGPVQENVWLGEQVDLTRFPVPLLHEQDGGRYFGTYGFHVVQTPDGSWDSWSVGRLMLVDRNTLAGPT----IPTQHIGIIREQWRRLGKPTPWAMALGAPPAALAA-----AGMPLPEGVSEAGYVGALVGEPV--EVVRTQTNGLWVPANTEIVLEGEISLDETALEGPMGEYHGYSFPIGKPQPLFHVHALSFRDQPILPICVAGTPPEENHTIWGTMISAQLLDVAQNAGLPVDMVWCSYEAATCWAVLSIDVQRLAALGTDAAAFAARVAETVFGSHAGHLVPKLILVGNDIDVTEIDQVVWALATRAHPLHD-HFAFPQIRDFPMVPYLDAEDKARGSGGRLVINCLYPEQFAGQMRAATASFRHAYPTALRRRVEERWSDYGF

General information: TITO was launched using: RESULT: Template: 4IWS.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 : 2645 19446 7.35 44.60 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 7.35 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.136

(partial model without unconserved sides chains): PDB file : Tito_4IWS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4iws-query.scw PDB file : Tito_Scwrl_4IWS.pdb: