Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTLRTLCVLMILSGVIFFGLKIDAKDIDIPFLNSLKKVVSDSDTDSAANSKKELKGSAKPLDVILYNQMDAPRLYNGCEVTSLAMVLNYAGYDVTKNTLANQVATVPLTYSSGLKGDPNDGFVGDMANGPGLGVYHRPIYQLAKTYAGDKVSDLTGKSISAVYQQLEKGNPVWVITTAN---FTPVDNMQTWKTPNGTIEITYSEHSVAVTGYDDK--------YVYLNDPYGYKNRKTDRTSFEKAWKQMGSQAVVIQK 2XU3 Chain:A ((118-190)) --------------------------------------------------------------------------------------------------------------------------------------------------------------QEKALMKAVATVGPISVAIDAGHESFLFYKE-GIYFEPDC--SSEDMDHGVLVVGYGFESTESDNNKYWLVKNSWG---------------------------

General information: TITO was launched using: RESULT: Template: 2XU3.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 : 126 -12143 -96.37 -195.85 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -96.37 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.639

(partial model without unconserved sides chains): PDB file : Tito_2XU3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XU3-query.scw PDB file : Tito_Scwrl_2XU3.pdb: