Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQFQLRRRKQMELVLPNNYVVIDEEEMMYLDGGAYLSKRACQGICVALAMSPGIFIALAGAAVLTKKLINYIKVGGLGGWL---IGAAAGVLATAAGKIAYCIGYGALNRGCDISGNPYPWDGFISATVR 3S2I Chain:B ((223-265)) ------------------------------------------------------------------------------AAWLQKEIGGAHGVLVTAVSPKAFSQAIGMVRRGGTIALNGLP----------

General information: TITO was launched using: RESULT: Template: 3S2I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 108 -3025 -28.01 -75.63 target 2D structure prediction score : 0.30 Monomeric hydrophicity matching model chain B : 0.58 3D Compatibility (PKB) : -28.01 2D Compatibility (Sec. Struct. Predict.) : 0.30 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.143

(partial model without unconserved sides chains): PDB file : Tito_3S2I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3S2I-query.scw PDB file : Tito_Scwrl_3S2I.pdb: