Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEAGAFGYIRGGSEDEWTMKENTTSFNTKKIMPRILRGIDSADLHTSVFGIELDTPIIQAPSAAQGLAHEKGEADTAKGVAAAGSIFSISTYANTTIKDAADAAPGAPQFFQLYMSKDDRFNEFILNKAVEAGAKAIILTADSTLGGYREEDVINQFQFPLPMPNLAAYSEQSASGNGEGKGIAEIYAAAKQGLTPDDIKTIKEITHLPVIVKGIQSPEDAVIAISAGADGIWVSNHGGRQLDGGPASFEVLPKIAEVVNKRVPVIFDSGVRRGEHVFKALASGADLVAIGRPVIYGLNLVGQKE 2NLI Chain:A ((30-326)) ---GGFNYIAGASGDEWTKRANDRAWKHKLLYPRLAQDVEAPDTSTEILGHKIKAPFIMAPIAAHGLAHTTKEAGTARAVSEFGTIMSISAYSGATFEEISEGLNGGPRWFQIYMAKDDQQNRDILDEAKSDGATAIILTADST---NRD--------YPFGMPIVQRY----LRGTAEGM-----YGASKQKISPRDIEEIAGHSGLPVFVKGIQHPEDADMAIKRGASGIWVSNHGARQLYEAPGSFDTLPAIAERVNKRVPIVFDSGVRRGEHVAKALASGADVVALGRPVLFGLALGGWQ-

General information: TITO was launched using: RESULT: Template: 2NLI.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 : 1617 -109610 -67.79 -390.07 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -67.79 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.498

(partial model without unconserved sides chains): PDB file : Tito_2NLI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NLI-query.scw PDB file : Tito_Scwrl_2NLI.pdb: