Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQHQSLFNKSQWTQLVKHFSAVAVLGLTIAAPAWAIDPTAKELRIGFQKS--SINFAIAKQQKLFEQEFPNAKITWNEFPAGPQILEALAVGSLDVGVTGDTPPVYAQAAGKPLYYIAYEAAKPLASAILVPKNSQLK-QLKDIKGKRIALQKGSSSHYLLVQAVRKAGLKWSDITPIWLTPADARAAFQKGAVDAWAIWDPYYASA----QLEDQA-----RVLVSG--KGL---SPNYTFYLAAPNFVKQYPKAVPGLIKQINQADKWVQSYQVETASAIGQST-GLKPATSDLFIKRRPRPSSAAPLNSKVIAEQQQIADIFTQQGIIPKPISIKQAVWGAK 4ESW Chain:B ((7-296)) --------------------------------------NKITFLLNWEAAPYHIPVYLANIKGYFKDE--NLDIAILEPSNPSDVTELVGSGKVDMGLKAMVGTLAAKARGFPVTSIGSL-LDEPFTGICYLEGSGITSDFQSLKGKRIGYV-GEFGKIQVDELTKHYGMTPDDYVAVRCG-MNVAKYILEGTIDCGIGIECIQQVELEEALKEQGKDSNDAKMLRIDKLAELGCCCFCTILYIANDKFIAENPQAVKKFLKAIKRATDYMLAHPREAWAEYGNFKPTMQTDLNTKKFQRCYAYFSE--SLYNVHRDWRKVNNYGKRLDILPENY----------

General information: TITO was launched using: RESULT: Template: 4ESW.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 : 1467 -3289 -2.24 -12.09 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -2.24 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.485

(partial model without unconserved sides chains): PDB file : Tito_4ESW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ESW-query.scw PDB file : Tito_Scwrl_4ESW.pdb: