Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence METLLVVLHVFILFLLILGLFVMQKKHVSFSKRVFTALGLGIVFGFALQLIYGPTSNIVIQTADWFNIAGGGYVKLLQMVVMPLVFISILGAFTKLKLTKNLGKISGLIIGILVATTAVAAAVGIASALSFDLQA-IQVDQGSTELSRGQELQQKSEDMTAKTLPQQIVELLPGNPFLDFTGARPTSTIAVVIFAAFLGVAFLGVKHKQPEQ----AETFKKLVDAVYAIVMRVVTLILRLTPYGVLAIMTKTIATSDLDSILKLGMFVIASYAAL-ITMFIIHLLLLTFSGLNPVIYLKKAVPVLVFAFTSRSSAGALPLNIKTQRSMGVPEGIANFAGSFGLSIGQNGCAGIYPAMLAMMIAP------TVGQNPFDPVFIITVIAVVAISSFGVAGVGGGATFAALLVLSSLNMPV------ALAGLLISIEPLIDMGRTALNVSGSMTSGLITSKVTKEIDQGAFHDQSRVIEAEEA 1XFH Chain:A ((50-414)) ------------------------------------------------------------------------FVRLLKMLVMPIVFASLVVGAASISPAR-LGRVGVKIVVYYLLTSAFAVTLGIIMARLFNPGAGIHLAVG------GQQFQPHQ----APPLVHILLDIVPTNPFGALANGQVLPTI---FFAIILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYAPIGVFALIAYVMAEQGVHVVGELAKVTAAVYVGLTLQILLVYFVLLKIYGIDPISFIKHAKDAMLTAFVTRSSSGTLPVTMRVAKEMGISEGIYSFTLPLGATINMDGTA-LYQGVCTFFIANALGSHLTVGQQ-------LTIVLTAVLASIGTAGVPGAGAIMLAMVLHSVGLPLTDPNVAAAYAMILGIDAILDMGRTMVNVTGDLTGTAIVAK----------------------

General information: TITO was launched using: RESULT: Template: 1XFH.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 : 1796 -272189 -151.55 -784.40 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -151.55 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.297

(partial model without unconserved sides chains): PDB file : Tito_1XFH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XFH-query.scw PDB file : Tito_Scwrl_1XFH.pdb: