Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------NMIALSRSTLSRPRCNIIIYG----LPSGRNQDRPVMGEADTALNSEV--FITVRSGEKYRCTVKDDCDKPTCHELPPHLTYAG------------------------------------------------------------------------------------------ 2X47 Chain:A ((1-235)) TSTDWKEAKSFLKGLSDKQREEHYFCKDFVRLKKIPTWKEMAKGVARYKKDKQLNEKISLLRSDITKLEVDAIVNAANSSLLGGGGVDGCIHRAAGPLLTDECRTLQSCKTGKAKITGGYRLPAKYVIHTVGPIAYGEPSASQAAELRSCYLSSLDLLLEHRLRSVAFPCISTGVFGYPCEAAAEIVLATLREWLEQHKDKVDRLIICVFLEKDEDIYRSRLPHYFPVA

General information: TITO was launched using: RESULT: Template: 2X47.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 : 139 -625 -4.49 -8.01 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -4.49 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.302

(partial model without unconserved sides chains): PDB file : Tito_2X47.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2x47-query.scw PDB file : Tito_Scwrl_2X47.pdb: