Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------MEKLVKANLRRKEQAFIDVVSPLLQDVGINPSLVQGID------VKVGRNQSAVLEVDGNQQYFVKLIQGSDGVARFRRSKDFENWVINKSIKFATPKLLAFSKDQRALMFEFARCDTNLGEMLGDKFIDSVTAMKVAV-----------AIGSLHTSTVSISDNIESDLP----VLPPQFPGLISLDYFENATIGERNLWRILQNDAELLEALDLLVDSRINFVPIHG-DFRPDQVFFRADEVVLLDFEEFRL-GDPARDLGSFIGDLFYHKMSWIAVGAQGTDGRLTHESL--LER-----GVDLLGQVRPII-----QSFWEKYCIFCCGAQSETWKMTQPNLANRVTGYAGWHLFDRSLARSALSGRLTANDRALNGIGRNLIINSGMFAQELGLGE----------- 4HE8 Chain:I ((1-427)) MTLAILAVFSVALTLLGFVLPPQGVKRATLLGLALALASLLLTWGKPFAFGPYAVDGVSQVFTLLALLGALWTVGLVRSGRFEFYLLVLYAALGMHLLASTRHLL--LMLVALEALSLPLYALATWRRGQGLEAALKYFLLGALAAAFFLYGAALFYGATGSLVLGAPGEGPLYALALGLLLVGLGFKAALAPFHFWTPDVYQGSPTPVVLFMATSVKAAAFAALLRVAAPPEALALLVALSVVVGNLAALAQKEAKRLLAYSSIAHAGYMALALYTGNAQALGFYLLTYVLATGLAFAVLSQISPDRVPLEALRGLYRKDPLLGLAFLVAMLSLLGLPPLAGFWGKYLAFAEAARAGAWGVLVLALVTSAVS----AYYYLGLGLAVFARPEETPFRPGPPWARAAVVAAGVLLLALGLLPGLVLPALAAGG

General information: TITO was launched using: RESULT: Template: 4HE8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain I - contact count / total energy / energy per contact / energy per residue : 2008 -84406 -42.03 -234.46 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain I : 0.63 3D Compatibility (PKB) : -42.03 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.170

(partial model without unconserved sides chains): PDB file : Tito_4HE8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4he8-query.scw PDB file : Tito_Scwrl_4HE8.pdb: