Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRRKTALMMLSVLMVLAIFLSACSGSKSSNSSAKKSAGKPQQGGDLVVGSIGEPTLFNSLYSTDDASTDIENMLYSFLTKTDEKLNVKLSLAESIKELDGGLAYDVKIKKGVKFHDGKELTADDVVFTYSVPLSKDYKGERGSTYEMLKSVEKKGDYEVLFKLKYKDGNFYNNALDSTA-ILPKHILGNVPIADLEENEFNRKKPIGSGPFKFKEWKQGQYIKLEANDDYFEGRPYLDTVTYKVIPDANAAVAQLQAGDINFFNVPATDYKTAE---KFNNLKIVTD-LALSYVYIGWNEKNELFKDKKVRQALTTALDRESIVSQVLDGDGEVAYIPESPLSWNYPKDIDVPKFEYNEKKAKQMLAEAGWKDTNGDGILDKDGKKFSFTLKTNQGNKVREDIAVVVQEQLKKIGIEVKTQIVEWSALVEQMNPPNWDFDAMVMGWSLSTFPDQYDIFHSSQIKKGLNYVWYKNAEADKLMKDAKSISDRKQYSKEYEQIYQKIAEDQPYTFLYYPNNHMAMPENLEGYKYHPKRDLYNIEKWWLAK 1XOC Chain:A ((18-520)) ----------------------------------------PQQGGDLVVGSIGEPTLFNSLYSTDDASTDIENMLYSFLTKTDEKLNVKLSLAESIKELDGGLAYDVKIKKGVKFHDGKELTADDVVFTYSVPLSKDYKGERGSTYEMLKSVEKKGDYEVLFKLKYKDGNFYNNAL-DSTAILPKHILGNVPIADLEENEFNRKKPIGSGPFKFKEWKQGQYIKLEANDDYFEGRPYLDTVTYKVIPDANAAEAQLQAGDINFFNVPATDYKTAEKFNNLKI----VTDLALSYVYIGWNEKNELFKDKKVRQALTTALDRESIVSQVLDGDGEVAYIPESPLSWNYPKDIDVPKFEYNEKKAKQMLAEAGWKDTNGDGILDKDGKKFSFTLKTNQGNKVREDIAVVVQEQLKKIGIEVKTQIVEWSALVEQMNPPNWDFDAMVMGWSLSTFPDQYDIFHSSQIKKGLNYVWYKNAEADKLMKDAKSISDRKQYSKEYEQIYQKIAEDQPYTFLYYPNNHMAMPENLEGYKYHPKRDLYNIEKWWLAK

General information: TITO was launched using: RESULT: Template: 1XOC.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 : 2879 -151301 -52.55 -303.82 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.95 3D Compatibility (PKB) : -52.55 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.95 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_1XOC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XOC-query.scw PDB file : Tito_Scwrl_1XOC.pdb: