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 3KBC Chain:A ((50-416)) ------------------------------------------------------------------------FVRLLCMLVMPIVFASLVVGAASISPAR-LGRVGVKIVVYYLLTSAFAVTLGIIMARLFNPGAGIHLAVG------GQQFQPHQ----APPLVHILLDIVPTNPFGALANGQVLPTI---FFAIILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYAPIGVFALIAYVMAEQGVHVVGELAKVTAAVYVGLTLQILLVYFVLLKIYGIDPISFIKHAKDAMLTAFVTRSSSGTLPVTMRVAKEMGISEGIYSFTLPLGATINMDGTA-LYQGVATFFIANALGSHLTVGQQ-------LTIVLTAVLASIGTAGVPGAGAIMLCMVLHSVGLPLTDPNVAAAYAMILGIDAILDMGRTMVNVTGDLTGTAIVAKTE--------------------

General information: TITO was launched using: RESULT: Template: 3KBC.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 : 1812 -312052 -172.21 -894.13 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -172.21 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.376

(partial model without unconserved sides chains): PDB file : Tito_3KBC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KBC-query.scw PDB file : Tito_Scwrl_3KBC.pdb: