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 3V8G Chain:A ((50-414)) ------------------------------------------------------------------------FVRLLKMLVMPIVFASLVVGAASISPAR-LGRVGVKIVVYYLLTSAFAVTLGIIMARLFNPGAGIHLAVG------GQQFQPHQ----APPLVHILLDIVPTNPFGALANGQVLPTI---FFAIILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKICNGVMQYAPIGVFALIAYVMAEQGVHVVGELAKVTAAVYVGLTLQILLVYFVLLKIYGIDPISFIKHAKDAMLTAFVTRSSSGTLPVTMRVAKEMGISEGIYSFTLPLGATINMDGTA-LYQGVATFFIANALGSHLTVGQQ-------LTIVLTAVLASIGTAGVPGAGAIMLAMVLHSVGLPLTDPNVCAAYAMILGIDAILDMGRTMVNVTGDLTGTAIVAK----------------------

General information: TITO was launched using: RESULT: Template: 3V8G.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 : 1657 -285948 -172.57 -824.06 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -172.57 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.373

(partial model without unconserved sides chains): PDB file : Tito_3V8G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3V8G-query.scw PDB file : Tito_Scwrl_3V8G.pdb: