Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEFLKAYVQTFKDIVSNSSAFTTLFLSVILYSFFYPTAYKAERAESIPIVIVDEEQSLLTSQVIGQTAN-SPHVKIVDVTANFLEAEQMVREQKADGILLLPSNLTQSLRRGETGGIGLYLSTTNFLKTKEIGLGLATSIEATLKEYIERFGQRTHFQPALSIHQMPLFNTLSGYGSYI--FPAVAS-LIIHQTIVLGLAMLVASYREQHEKITPIRFAGIFASIFTIGCLGSFYLFGFTLWFNDYPHGGNFVGLLVAVPIFISCVIGLGMLIGSLLDILERAGHIIVFSSVPLFLLTGAAWPHQAMPEWLQWFAWCLPSTHAVQMFVQLNQMGVPLNVVAPKLIFLATIGVIFLITAYSRLKVSK 3CNI Chain:A ((11-155)) -----------------------------------------------QKVAIVREDTGTIAELAEKALGNMV---DIVYAGSDLKEAEEAVKKEKAPAIIVIPKGFSQSLESGEKARLEIVWYLRGTGLSEAVSTGTISSLIESLKVQLASFLLNDPKKAQLLFDPLEIVQHTYLRGSLFKNHSPEAIMNVFYSQ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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 : 666 -19814 -29.75 -140.52 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.50 3D Compatibility (PKB) : -29.75 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.50 QMean score : 0.365

(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: