Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRMSTIFLKIALVLIGIPILALCIFL-VPKVANYSAELFPNIAYIKYLVFIY-LYVTAIPFYFALYQAFKLLSYIDKNKAFSGLSVRALKNIKYCAVTISIFYAAGMPVFYLMAEIDDAPGIIVIGLVIIFASMVIAVFAAVLQKLLKEAIDIKSENDLTV 3PDS Chain:A ((63-126)) -----------------VPFGAACILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKA---------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PDS.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 : 59 -6894 -116.84 -111.19 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -116.84 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.084

(partial model without unconserved sides chains): PDB file : Tito_3PDS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PDS-query.scw PDB file : Tito_Scwrl_3PDS.pdb: