Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNGRTLFFRRLFDYYKYQFKVLHAVIDWTVALYIVLPAIAFVIYQYIDLMNGRGLLYEWSEVAEWRWLYAVCVLIMFTGSIRTFLMEADKVFLLQKKEIIYQLKRYALLYSFLATLAKWLLLFFIVLPLISHSVLITFAESTALLCYLFGLHIFFLSLKQDRIRKPRSISRWIGDTLVRAILFAGSAILIVFTERHLLALFGILFLFFSVIRSLKKTASFTAFEAEVT------EEKKSRLALAGLVMMMSQEAGMPKVKDRMRRKPLLYRNSKRIFKRRTICTGYKELFFKVMLRNGEYARQMYMLLSAFTVLIFVSPIWLKVIALLVYTGVCRYILTLIFDKVMDAPFLIGTDKESDEYYRARKSCINILHYAFAACCFLAAAVSLLFT 1H2S Chain:B ((1-60)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GAVFIFVGALTVLFGAIAYGEVTAAAATGDAAAVQEAAVSAILGLIILLGINLGLVAATL----------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1H2S.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 : 81 -4662 -57.56 -86.33 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.42 3D Compatibility (PKB) : -57.56 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.42 QMean score : 0.143

(partial model without unconserved sides chains): PDB file : Tito_1H2S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1H2S-query.scw PDB file : Tito_Scwrl_1H2S.pdb: