Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------MKSKFEASIDNLKEIEMNAYAYELIREIVLPDMLGQDYSSMMYWAGKHLARKFPLESWEEFPAFFEEAGWGTLTNVSAKKQELEFELEGPIIS-----------NRLKHQKEPCFQLEAGFIAEQIQLMNDQIAESYEQVKKRADKVVLTVKWDMKDPV 4U5A Chain:A ((48-240)) NNIIEEFDKLSDDFSNDINATKQTIKDLFLDIEASDDVVKLLSKYSFVPEEKLNIIDGILRSFIENNKTHVINSSNAYIYIQKEKIKNVCNFI----LKKLNSLIQINELNKSHIILKYGKGEAKKGVLESIKNNDDISKNLKSELLKYRVSELINFITPIYDDFIKNLTDLINDLQIKLKNIS

General information: TITO was launched using: RESULT: Template: 4U5A.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 : 348 14875 42.74 103.30 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 42.74 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.311

(partial model without unconserved sides chains): PDB file : Tito_4U5A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U5A-query.scw PDB file : Tito_Scwrl_4U5A.pdb: