Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLKKRVSMFLVALTMCGGLFVTPAKAVKTTNYAEEIAALQPGTTPEEIMKSASQIAKQQHVKQDVILKQFYKEITADKAEGDRLAKESGMSIMGGSSGTKKLPTSAKGNIYYTNSYTAYYNHGHVGMYSAADKIVESVPSDGVRQIAYNARDVEDNSIVQTVSVSSSQKTAAADWAVSKVGDPYSFNFVNNRNTGHDGAKNCSKLLWSAFLLKAGIDIDSNGGLGVYPRDITSSSYTTTIMTIY 3MDL Chain:A ((445-557)) --------------------------------------SLKPYTSFEELTGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGET-MVELGAPFSLKGLMGNPICSPQYWKPSTF---GGEVGFKIINTASIQSLICNNVKGCPFTSFNVQ------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3MDL.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 : 243 -5340 -21.98 -47.26 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -21.98 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.015

(partial model without unconserved sides chains): PDB file : Tito_3MDL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MDL-query.scw PDB file : Tito_Scwrl_3MDL.pdb: