Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRLLSTLLIGIMLLTFAPSAFAKQDGKRTSELAHEAKSAVLIERDTGKVLYNKNSNERLAPASMTKIMTMLLIMEALDKGKIKMSDKVRTSEHAASMGGSQIFLEPGEEMTVKEMLKGIAIASGNDASVAMAEFISGSEEEFVKKMNKKAKELGLKNTSFKNPTGLTE-EGHYSSAYDMAIMAKELLKYESITKFTGTYEDYLRENTDKKFWLVNTNRLIKFYPGVDGVKTGYTGEAKYCLTASAKKGNMRAIAVVFGASTPKERNAQVTKMLDFAFSQYETHPLYKRNQTVAKVKVKKGKQKFIELTTSEPISILTKKGEDMNDVKKEIKMKDNISAPIQKGQELGTLVLKKDGEVLAESPVAAKEDMKKAGFITFLKRTMGDWTKFK 3MFD Chain:A ((9-251)) ------------------------------------AKSAIIIDGASGRVLYAKDEHQKRRIASITKIMTAVLAIES---GKMDQT--VTVSANAVRTEGSAIYLTEGQKVKLKDLVYGLMLRSGNDAAVAIAEHVGGSLDGFVYMMNQKAEQLGMKNTRFQNPHGLDDHENHYSTAYDMAILTKYAMKLKDYQKISGT--KIYKAETMESVWKNKNKLLTMLYPYSTGGKTGYTKLAKRTLVSTASKDGIDLIAVTI--NDPNDWDDH-MKMFNYVFEHYQTYLIAKK-----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3MFD.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 : 1488 -30549 -20.53 -126.24 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -20.53 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.485

(partial model without unconserved sides chains): PDB file : Tito_3MFD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MFD-query.scw PDB file : Tito_Scwrl_3MFD.pdb: