Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPINSFENYPMSWKPSIDKAEKPIYKALAGQLEQDILNGVLLPGTKLPPQRELADYLDLNVSTISKAFKVCELKGLLSATVGSGTFVSYDALSNAYLLEDTKPTHLIEMGAILPD--HASYEPLLYQLKNMVHEEDYEKWFSYGRAGESLWQKDAAVKLIQRGGFETSVDHILFANGGQNAIAATLASLCKPGDRIGVDHHTYPGLKTVASLLSVQIVPIKSENDEMSPESLEYACKN-----ENIKGLYLIPDYHNPTTSFMSVENRRMVADIVKKYNLFVIEDASYHLLNKNP----------------------LPALA-SFAPQ----QVIHIASLSKSLAPGLRLAYVAVPRQYKEPISKALYNLNITVSPLLAELTARTIVSNQ-----FEVLIESHREQTIRRNQLVNRYVA------GYTCLGVETGIFRWLLL---------------PGKMSGAEFEELAARLGVQVYAAERFVVGNSC----PERAVRVS---------VCAPKTLEELEQGLMILRRLLDDLT--- 4JE5 Chain:A ((5-502)) ---TLPESKDFSYLFSDETNAR---KPSPLKLFQD-PNIIFLGGG--LPLKDYFPWDNLSVDSPKPPFP----QGI-GAPIDEQNCIKYTV-NKDYADKSANPSNDIPLSRALQYGFSAGQPELLNFIRDHTKII------------HDLKYKD---------------WDVLATAGNTNAWESTLRVFCNRGDVILVEAHSFSSSLASAEAQGVITFPVPIDADGIIPEKLAKVMENWTPGAPKPKLLYTIPTGQNPTGTSIADHRKEAIYKIAQKYDFLIVEDEPYYFLQMNPYIKDLKEREKAQSSPKQDHDEFLKSLANTFLSLDTEGRVIRMDSFSKVLAPGTRLGWITGSSKILKPY-LSLHEMTIQAPAGFTQVLVNATLSRWGQKGYLDWLLGLRHEYTLKRDCAIDALYKYLPQSDAFVINPPIAGMFFTVNIDASVHPEFKTKYNSDPYQLEQSLYHKVVER-GVLVVPGSWFKSEGETEPPQPAESKEVSNPNIIFFRGTYAAVSPEKLTEGLKRLGDTLYEEFGIS

General information: TITO was launched using: RESULT: Template: 4JE5.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 : 2096 -157774 -75.27 -377.45 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -75.27 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.392

(partial model without unconserved sides chains): PDB file : Tito_4JE5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JE5-query.scw PDB file : Tito_Scwrl_4JE5.pdb: