Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------MIRGILIAVLGIAIVGTGYWGYKEHQEKDAVLLHAENNYQRAFHELTYQVDQLHDKIGTTLAMNSQ-KSLSPALIDVWRITSEAHNSVSQLPLTLMPFNKTEELLSKIGDFSYKTSVRDLDQKPLDK-N-EY-TSLNKLYQQSEDIQNELRHVQHLVMSKNLRWMDVEMALASD-------------EKQSDNTIINSFKTVEKNVGAFSTGTDLGPSFTSTKKEEKGFSHLKGKQI----SEQEAKQIAER--------FAPDDNYSIKVVKSGKKTNRDVYSISMKDPDHKAVIYMDITKKGGHPVYLIQN--------REVKDQKISLNDGSNRALAFLKKNGFETDDLEIDESAQYDKIGVFSYVPVENKVRMYPEA-IRMKV-ALDDGEVVGFSARDFLTSHRK--RTIPKPAITEAEAKSKLNKNVQVRETRLALIT-NELGQEVLCYE-MLGTIENDTFRMYINAKD---------GSEEKVEKLKNAEPIYKDL------------ 3GBT Chain:A ((0-491)) SLKYIIGMDVGTTATKGVLYDING-KAVASVSKGYPLIQTKVGQAEEDPKLIFDAVQEIIFDLTQKIDGKIAAISWSSQMHSL--IGLG--------SDDELLTNSITWADNCAKSIVQDAKNRGFAQQIYRKT-----GMPMHPMAPIYKLLWLKNKKTEVFSQAQKWIGIKEYIIFRLTGKLVTDTTMAAGTGILNLKTLTWDQELLDILKIKKEQLPKIAQPTKVIFPIKTEYVKKLGID--SDTKIILGASDGYLSTIGVNAIDSDHCALNVGTSGAIRTIVDQPKIDPSASYFCYPADKTHYLLGGPVNNGGIVFNWARQTLFDADETPQDFLDVAQTAPAGSRNLIFLPYLGGERA--PIWDANARGSFVGL--------------TRMHQKPEMARAVIEGIIFNLYDAASNLIKNTKKPVAINATGGFLKSDFVRQLCANIFNVPIVTMKEQQ-SGTLAAMFLARQALGLNQDLSEIGQFAQADKVYFPNPKEAATYQKLFPLYCEIRNALAASYGKFS

General information: TITO was launched using: RESULT: Template: 3GBT.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 : 2435 151406 62.18 364.83 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 62.18 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.257

(partial model without unconserved sides chains): PDB file : Tito_3GBT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GBT-query.scw PDB file : Tito_Scwrl_3GBT.pdb: