Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIYVVYDSEGEHTKVLAEAIAEGARENDAAEVFIDHVDQ-------------------ADIRKLKDMDAIIWGCPGHFGTISSGLKTWIDRLGYLWAEGELINKVGAVFCTTATTHGGLEMTMHNLITPMFHQGMIVVGLPGNVPENALY-------GSYYGAGVTCPVDSDELMSEEGIQLGRALGRRVSQVTGNLTAGQ 3B6J Chain:B ((3-190)) -KVLVLYYSMYGHIETMARAVAEGASKVDGAEVVVKRVPETMPPQLFEKAGGKTQTAPVATPQELADYDAIIFGTPTRFGNMSGQMRTFLDQTGGLWASGALYGKLASVFSSTG-TGGGQEQTITSTWTTLAHHGMVIV--PIGYAAQELFDVSQVRGGTPYGATTIAGGDGSRQPSQEELSIARYQGEYVA----------

General information: TITO was launched using: RESULT: Template: 3B6J.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 908 -105264 -115.93 -649.77 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -115.93 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.431

(partial model without unconserved sides chains): PDB file : Tito_3B6J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B6J-query.scw PDB file : Tito_Scwrl_3B6J.pdb: