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 3A2S Chain:X ((17-323)) ----------------------TLYGTIKAGVEVSRVKDAGTYKAQGGKSKTATQIADFGSKIGFKGQEDLGNGMKAIWQLEQKASI--AGTNSGWGNRQSFIGLKG-GFGTVRAGNLNTVLKDS-GDNVNAWESGSNTEDVLGLGTIGRVESREISV---RYDSPVFAGFSGSVQYVPRDNANDVDKYKHTKSSR----ESYHAGLKYEN---------AGFFGQYAGSFAKYA--DLNTDAERVAVNTANAHPVKD-YQVHRVVAGYDANDLYVSVAGQYEAAKNNEVGSIK--GKKH---EQTQVAATAAYRFGNVTPRV--SYAHGFKAKVNGVKDANYQYDQVIVGADYDFSKR--------------------------------

General information: TITO was launched using: RESULT: Template: 3A2S.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 : 1406 108467 77.15 381.92 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain X : 0.73 3D Compatibility (PKB) : 77.15 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.171

(partial model without unconserved sides chains): PDB file : Tito_3A2S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A2S-query.scw PDB file : Tito_Scwrl_3A2S.pdb: