Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLLLAAAVATLSVNAVQAAPTLYG--KLNVSINQVDN----KNFDGKSDV-TEVNSNSSRIGVKGEEKLTDKLSAVYLAEWAISTDGSGSDTDLSARNRFIGLKTEGVGTLKVGKYDSYFKTSAGSNQDIF----NDDTRLDITNIMYGENRLDNVVGFELDPKLLAGLTFNIMAQTGESTSDSKKGETGKDSKNDSFDSVSTSLGYENKDLGLAIAAAGDFG-IKGKYAAYGLKDVYTDAYRV---TGSYDIAKSGFVVGALWQHAEPTDDLTAYGQTYKSD-----GSIDKAGKAYRGLEEEAYAVTAAYKIPNTKLKVKAEYASA-ETQVNG--QADRKIDLYGLGLDYQINKQARFYGIVAQQKRDWLNDDDKQTVVGTGIEYNF 3VY8 Chain:X ((17-323)) ----------------------TLYGTIKAGVEVSRVKDAGTYKAQGGKSKTATQIADFGSKIGFKGQEDLGNGMKAIWQLEQKASI--AGTNSGWGNRQSFIGLKG-GFGTVRAGNLNTVLKDS-GDNVNAWESGSNTEDVLGLGTIGRVESREISV---RYDSPVFAGFSGSVQYVPRDNANDVDKYKHTKSSR----ESYHAGLKYEN---------AGFFGQYAGSFAKYA--DLNTDAERVAVNTANAHPVKD-YQVHRVVAGYDANDLYVSVAGQYEAAKNNEVGSIK--GKKH---EQTQVAATAAYRFGNVTPRV--SYAHGFKAKVNGVKDANYQYDQVIVGADYDFSKR--------------------------------

General information: TITO was launched using: RESULT: Template: 3VY8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1396 109858 78.69 386.82 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain X : 0.73 3D Compatibility (PKB) : 78.69 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.117

(partial model without unconserved sides chains): PDB file : Tito_3VY8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VY8-query.scw PDB file : Tito_Scwrl_3VY8.pdb: