Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLLLAAAVATLSVNAVQAAPTLYGKLNVSINQVDNKNFDG-K----SDVTEVNSNSSRIGVKGEEKLTDKLSAVYLAEWAISTDGSGSDTDLSARNRFIGLKTEGVGTLKVGKYDSYFKTSAGSNQDIFNDDTR-LDITNIMYGENRLDNVVGFELDPKLLAGLTFNIMAQTGESTSDSKKGETGKDSKNDSFDSVSTSLGYENKDLGLAIAAAGDFGIKGKYAAYGLKDVYTDAYRVTGSYDIAKSGFVVGALWQHAEPTDDLTAYGQTYKSDGSIDKAGKAYRGLEEEAYAVTAAYKIPNTKLKVKAEYASAETQVNG--QADRKIDLYGLGLDYQINKQARFYGIVAQQKRDWLNDDDKQTVVGTGIEYNF 3WI5 Chain:A ((1-312)) --------------------DVTLYGTIKAGVETSRSVFHQNGQVTEVTTATGIVDLGSKIGFKGQEDLGNGLKAIWQVEQKASIAGT--DSGWGNRQSFIGLKG-GFGKLRVGRLNSVLKDTG-D-INPWDSKSDYLGVNKIA-EPEARLISVRYDS-PE-FAGLSGSVQYALNDNAG------------RHNSESYHAGFNYKNGGFFVQYGGAYKRHHQVQE---GLNIEKYQIHRLVSGYDND--ALYASVAVQQQDAKLTDA-----------------SNSHNSQTEVAATLAYRFG--NVTPRVSYAHGFKGLVAKADIGNRYDQVVVGAEYDFSKRTSALVSAGWLQEGKGENKFVATAGGVGLRHKF

General information: TITO was launched using: RESULT: Template: 3WI5.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 : 1594 123913 77.74 407.61 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 77.74 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.108

(partial model without unconserved sides chains): PDB file : Tito_3WI5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WI5-query.scw PDB file : Tito_Scwrl_3WI5.pdb: