Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKQLPKISTTSKALAKSLLLAQGVLDQAKKYSTLPFTQTHIILPRIDEKYYSWTHYGIFFPLLPEPHRYLNIMILIGTPGALAFDHDDIITGNPRKTATFFSSTAALEQALLKAYIIPEDTKINKDGTLIE-LGQEISIQGKFPHIHINGHYDGFDFDFDIDITSHVSWFIKTPIYDHFSLLAKFK-----GFLNYQAKHIETQGLCTYEYARAVGPHSITNKLIPDAYKLPLDFFTYQIINLNEATQLLLTKADIAGQTAAYTLHIRHLDQPAEIYTDVSFDIISHQVDDFVSPSGQKMRLPKYFSWIARNDAKQIILNIQAEIDCPFRYGHGRGYASSYIFTGHYFGNEVQGRGYIEYVDIENPQAFEDE 4XMQ Chain:A ((121-235)) ------------------------------------------------------------------------------------------------KTNDIFVTPAYLD-TVLKQYVITYSKAIYKDGKIIGVLGVDIPSED-LQNLVAKTPGNTFLFDQKNKIFAATNKELLNPSIDHSPVLNAYKLNGDNNFFSYKLNNEERLGACTKVFA----------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4XMQ.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 : 301 6020 20.00 55.23 target 2D structure prediction score : 0.28 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : 20.00 2D Compatibility (Sec. Struct. Predict.) : 0.28 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.181

(partial model without unconserved sides chains): PDB file : Tito_4XMQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XMQ-query.scw PDB file : Tito_Scwrl_4XMQ.pdb: