Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVLRVLVTTTALLAAGAAMADEAVVHDSYAFDKNQLIPVGARAEVGTTGYGGALLWQANPYVGLALGYNGGDISWTDDVSVNGTKYDLDMDNNNVYLNAEIRPWGASTNPWAQGLYIAAGAAYLDNDYDLAKRIGNGDTLSIDGKNYQQAVPGQEGGVRGKMSYKNDIAPYLGFGFAPKI-S-----------KNWGVFGEVGAYYTGNPKVELTQYNLASVTGNPTSAQDAVDKEANEIRNDNKYEWMPVGKVGVNFYW 2N2M Chain:A ((77-134)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------PVFRINEYVSLYGLLGAGHGKAKFSSIFGQSESRSKTSLAYGAGLQFNPHPNFVIDAS-------------------------------------------

General information: TITO was launched using: RESULT: Template: 2N2M.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 : 88 1658 18.84 36.04 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : 18.84 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.279

(partial model without unconserved sides chains): PDB file : Tito_2N2M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2N2M-query.scw PDB file : Tito_Scwrl_2N2M.pdb: