Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLKKRVSMFLVALTMCGGLFVTPAKAVKTTNYAEEIAALQPGTTPEEIMKSASQIAKQQHVKQDVILKQFYKEITADKAEGDRLAKESGMSIMGGSSGTKKLPTSAKGNIYYTNSYTAYYNHGHVGMYSAADKIVESVPSDGVRQIAYNARDVEDNSIVQTVSVSSSQKTAAADWAVSKVGDPYSFNFVNNRNTGHDGAKNCSKLLWSAFLLKAGIDIDSNGGLGVYPRDITSSSYTTTIMTIY 1PXX Chain:A ((457-569)) --------------------------------------SLKPYTSFEELTGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGET-MVELGAPFSLKGLMGNPICSPQYWKPSTF---GGEVGFKIINTASIQSLICNNVKGCPFTSFNVQ------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1PXX.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 : 244 -4706 -19.28 -41.64 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -19.28 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.005

(partial model without unconserved sides chains): PDB file : Tito_1PXX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PXX-query.scw PDB file : Tito_Scwrl_1PXX.pdb: