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 2NWL Chain:A ((50-414)) ------------------------------------------------------------------------FVRLLKMLVMPIVFASLVVGAASISPAR-LGRVGVKIVVYYLLTSAFAVTLGIIMARLFNPGAGIHLAVG------GQQF---------PPLVHILLDIVPTNPFGALANGQVLPTI---FFAIILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYAPIGVFALIAYVMAEQGVHVVGELAKVTAAVYVGLTLQILLVYFVLLKIYGIDPISFIKHAKDAMLTAFVTRSSSGTLPVTMRVAKEMGISEGIYSFTLPLGATINMDGTA-LYQGVCTFFIANALGSHLTVGQQ-------LTIVLTAVLASIGTAGVPGAGAIMLAMVLHSVGLPLTDPNVAAAYAMILGIDAILDMGRTMVNVTGDLTGTAIVAK----------------------

General information: TITO was launched using: RESULT: Template: 2NWL.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 : 1768 -276959 -156.65 -809.82 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -156.65 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.314

(partial model without unconserved sides chains): PDB file : Tito_2NWL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NWL-query.scw PDB file : Tito_Scwrl_2NWL.pdb: