Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEFLKAYVQTFKDIVSNSSAFTTLFLSVILYSFFYPTAYKAERAESIPIVIVDEEQSLLTSQVIGQTANSPHVKIVDVTANFLEAEQMVREQKADGILLLPSNLTQSLRRGETGGIGL--YLSTTNFLKTKEIGLGLATSIEATLKEYIERFGQRTHFQPALSIHQMPLFNTLSGYGSYIFPAVASLIIHQTIVLGLAMLVASYREQHEKITPIRFAGIFASIFTIGCLGSFYLFGFTLWFNDYPHGGNFVGLLVAVPIFISCVIGLGMLIGSLLDILERAGHIIVFSSVPLFLLTGAAWPHQAMPEWLQWFAWCLPSTHAVQMFVQLNQMGVPLNVVAPKLIFLATIGVIFLITAYSRLKVSK 3CNI Chain:A ((13-106)) -------------------------------------------------VAIVREDTGTIAE--LAEKALGNMVDIVYAGSDLKEAEEAVKKEKAPAIIVIPKGFSQSLESGEKARLEIVWYLRGTGL--SEAVSTGTISSLIESLK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3CNI.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 : 361 -22458 -62.21 -244.11 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.48 3D Compatibility (PKB) : -62.21 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.48 QMean score : 0.379

(partial model without unconserved sides chains): PDB file : Tito_3CNI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CNI-query.scw PDB file : Tito_Scwrl_3CNI.pdb: