Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGRSRSRSSSRSKHTKSSKHNKKRSRSRSRSRDKERVRKRSKSRESKRNRRRESRSRSRSTNTAVSRRERDRERASSPPDRIDIFGRTVSKRSSLDEKQKREEEEKKAEFERQRKIRQQEIEEKLIEEETARRVEELVAKRV-----EEELEKRKDEIEREVLRRVEEAKRIMEKQLLEELERQRQAELAAQKAREEEERAKREELERILEENNRKIAEAQAKLAEEQLRIVEEQRKIHEERMKLEQERQRQQKEEQKIILGKGKSRPKLSFSLKTQD 4K7R Chain:A ((120-188)) -------------------------------------------------------------------------------------------------------------FGRLKNMSEAERQNYLATEEAQRAVHILLVSNVAQSYFNQQLAYAQLQIAEETLRNYQQSYAFVEKQLL----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4K7R.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 : 6 529 88.17 8.27 target 2D structure prediction score : 0.88 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : 88.17 2D Compatibility (Sec. Struct. Predict.) : 0.88 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.182

(partial model without unconserved sides chains): PDB file : Tito_4K7R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4k7r-query.scw PDB file : Tito_Scwrl_4K7R.pdb: