Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------MQQLMIMVTEVGKLEHTCNLLAEVNKGGK----VIKVFDYNGNELSMNMDGIVTFNRKRWELPVKVDLK---------------------- 5CCA Chain:A ((22-119)) MRPIHIAARPVLILTREVVRPHLTNVTVAPITTTVRGLATEVPVDAVNG----LNQPSVVSCDNTQTIPVCDLGRQIGYLLASQEPALAEAIGNAFDL

General information: TITO was launched using: RESULT: Template: 5CCA.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 : 208 12207 58.69 200.11 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 58.69 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.166

(partial model without unconserved sides chains): PDB file : Tito_5CCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CCA-query.scw PDB file : Tito_Scwrl_5CCA.pdb: