Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKIKDLMTADLQYCTVLDNVYEAAVKMKDANVGAIPVVDE-DGETLVGIVTDRDLVLRGIAIKKPNSQKITDAMT-EKPVSVEEDASVDEVLHLMASHQLRRIP-VTKNKKLTGIVTLGDLSLSEQTNERAGSALSDISEGDNREEGFFH 3TSB Chain:A ((121-228)) ---------SDPFFLTPEHQVYDAEHLMGKYRISGVPVVNNLDERKLVGIITNRD--MRFI---QDYSIKISDVMTKEQLITAPVGTTLSEAEKILQKYKIEKLPLVDNNGVLQGLITIKDI-----------------------------

General information: TITO was launched using: RESULT: Template: 3TSB.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 : 439 -55511 -126.45 -528.68 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -126.45 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.623

(partial model without unconserved sides chains): PDB file : Tito_3TSB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TSB-query.scw PDB file : Tito_Scwrl_3TSB.pdb: