Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPSITKQIMSGAKWTSISTMCIT-II-QIVQFALLGNMMTLTEFGLVGMITTVTVFAQIVLDMGFGAALIQRDDATERQLSTLYWLNIMTGVLLFVLLYVSSPVIAGFYQREELVFLVRILAIMFLIAPIGQQ---YQYMLQKQLHFNTLSKIEIFSNVLSF-----GYLAIAVFMMDAILAYVISQVLLQSSKGILYW-AVYRKKWHPAFVFDLRGMKDFFSFGAFQLSSRLVNRLGANIDMILIGRFIGAEALGIYNLAYQIVTIPVLKINPIVTRVA-FPIFAKNKYENSVI-REGFLNMTKMLALVSFPLLIGLVSVSDAFITAVFGEKWLAAVPILNVLAIVGILRVLMNPNGSVLLAKGRADLAFYWDSGVLLLYGLSLFAAVQTGSLLTVAWVYAIISVVNFLIGRWLLAYVIKLNLSAYFQSIMKPFLITAAMGIIAFGVSLSTEHFSMQAEMRLAISVAAGALCYLFLLVKAYPQTKSKLLRKGRLS 1YLE Chain:A ((1-342)) ---------------------GHMLVMRPAQAADLPQVQRLAADSPVGVTSLPDDAERLRDKILASEASFAAEVSYNGE-----------ESYFFVLEDSASG---------------ELVGCSAIVASAGFSEPFYSFRNETFVHASRSLSIHNKIHVLSLCHDLTGNSLLTSFYVQRDLVQSVYAELN--SRGRLLFMASHPERFADAVVVEIVGYSDEQGESPFWNA---VGRNFFDLNYIEAEKLSGLKHYPIY-----------VPLLPDAAQESMGQVHPRAQITFDILMREGF-------------------------------------------------------------ETDNYIDI---FDGGPTLHARTSGIRSIAQSRVVPVKIG-----------EKSGRPYLVTNGQLQDFRAVVLDLDWA------------PGKPVALSVEAAEALGVGEGASVRLVAVGS----------------

General information: TITO was launched using: RESULT: Template: 1YLE.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 : 1713 -118470 -69.16 -373.72 target 2D structure prediction score : 0.29 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -69.16 2D Compatibility (Sec. Struct. Predict.) : 0.29 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.215

(partial model without unconserved sides chains): PDB file : Tito_1YLE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YLE-query.scw PDB file : Tito_Scwrl_1YLE.pdb: