Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREKMRFPTLVFDIETLTDLKAGAHLYHLDLPEADVEQALTKIRRQESGMDFQRLPLHEIVCISGLWIDESGFRLFSFSREHYSEAEILQKFLSIFDKRHP-TLVSWNGSQFDLPVILFRAMYHGLSAPGLFDQGELDSQKRFNNYQNRYHHRHIDLMDVMAMF-NGRNFQKLDDVACILGLPGKR---GESGYHVPEYVRTE-QWLKLTSYCEGDVLNTWFIYLRWLLLKGQMNVDEHNHWISSSIEYLQTMPQQADFLEVWQRTSKHTEFTSHYFNPLNF 5MDN Chain:B ((161-355)) ----PPLRVLAFDIEVYNER------------------------------GSPDPLRDPVVMLAVKTSDGR-EEV--FEAEGRDDRRVIRGFVDFVKEFDPDVIVGYNSNGFDWPYLSERAKALGVPLRVDRL-GGVPQQSVYGHW-SVVGRANVDLYNIVDEFPEIKV-KTLDRVAEYFGVMKRSERVLIPGHKVYEYWNDPAKRPTLMRYVLDDVRSTLGLAEKLLPF----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5MDN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 879 -38980 -44.35 -211.85 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -44.35 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.386

(partial model without unconserved sides chains): PDB file : Tito_5MDN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MDN-query.scw PDB file : Tito_Scwrl_5MDN.pdb: