Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTKKMSQFEIMDTEMLACVEGGGCNWGDFAKAGVGGGAVRGLQLGIKTRTWQGAATGAAGGAILGGVAYAATCWW 3PBP Chain:K ((10-26)) ----SLDTLSSYSLLQLRKVP-------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PBP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain K - contact count / total energy / energy per contact / energy per residue : 14 -3070 -219.25 -180.56 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain K : 0.49 3D Compatibility (PKB) : -219.25 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.49 QMean score : 0.691

(partial model without unconserved sides chains): PDB file : Tito_3PBP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PBP-query.scw PDB file : Tito_Scwrl_3PBP.pdb: