Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MAAHELKEALETLKETGVRITPQRHAILEYLVNSMAHPTADDIYKALEGKFPNMSVATVYNNLRVFRESGLVKELTYGDASSRFDFVTSDHYHAICENCGKIVDFHYPGLDEVEQLAAHVTGFKVSHHRLEIYGVCQECSKKENH 1SMT Chain:A ((24-121)) ELQAIAPEVAQSLAEFFAVLADPNRLRLLSLLARS--ELCVGDLAQAI-----GVSESAVSHQLRSLRNLRLVSYRKQG----------RHVYYQLQD-------------HHIVALYQNALDHLQEC------------------

General information: TITO was launched using: RESULT: Template: 1SMT.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 : 256 -55645 -217.36 -573.65 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -217.36 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.558

(partial model without unconserved sides chains): PDB file : Tito_1SMT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SMT-query.scw PDB file : Tito_Scwrl_1SMT.pdb: