Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKQLPKISTTSKALAKSLLLAQGVLDQAKKYSTLPFTQTHIILPRIDEKYYSWTHYGIFFPLLPEPHRYLNIMILIGTPGALAFDHDDIITGNPRKTATFFSSTAALEQALLKAYIIPEDTKINKDGTLIELGQEISIQGKFPHIHINGHYDGFDFDFDIDITSHVSWFIKTPIYDHFSLLAKFKGFLNYQAKHIETQGLCTYEYARAVGPHSITNKLIPDAYKLPLDFFTYQIINLNEATQLLLTKADIAGQTAAYTLHIRHLDQPAEIYTDVSFDIISHQVDDFVSPSGQKMRLPKYFSWIARNDAKQIILNIQAEIDCPFRYGHGRGYASSYIFTGHYFGNEVQGRGYIEYVDIENPQAFEDE 5KPE Chain:A ((23-80)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TDPEAQELLNKILSPDVLDQVREHARELQK-----QGIHFEVKRVE----VTTDGNTVNVTVELEET---------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5KPE.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 : 96 -8646 -90.06 -149.07 target 2D structure prediction score : 0.22 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : -90.06 2D Compatibility (Sec. Struct. Predict.) : 0.22 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.221

(partial model without unconserved sides chains): PDB file : Tito_5KPE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KPE-query.scw PDB file : Tito_Scwrl_5KPE.pdb: