Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNGRTLFFRRLFDYYKYQFKVLHAVIDWTVALYIVLPAIAFVIYQYIDLMNGRGLLYEWSEVAEWRWLYAVCVLIMFTGSIRTFLMEADKVFLLQKKEIIYQLKRYALLYSFLATLAKWLLLFFIVLPLISHSVLITFAESTALLCYLFGLHIFFLSLKQDRIRKPRSISRWIGDTLVRAILFAGSAILIVFTERHLLALFGILFLFFSVIRSLKKTASFTAFEAEVTEEKKSRLALAGLVMMMSQEAGMPKVKDRMRRKPLLYRNSKRIFKRRTICTGYKELFFKVMLRNGEYARQMYMLLSAFTVLIFVSPIWLKVIALLVYTGVCRYILTLIFDKVMDAPFLIGTDKESDEYYRARKSCINILHYAFAACCFLAAAVSLLFT 2JPW Chain:A ((1-32)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MADESSDAAGEPQPAPAPVRRRSSANYRAYAT--------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2JPW.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 : 12 610 50.79 19.05 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.38 3D Compatibility (PKB) : 50.79 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.38 QMean score : 0.428

(partial model without unconserved sides chains): PDB file : Tito_2JPW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JPW-query.scw PDB file : Tito_Scwrl_2JPW.pdb: