Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDAQLIDKLGGVTAVARLLGITPPSVSGWK-A-IPLDKKIRLAVIAEDLGLTTRKELFPDNYQDIWIELRPQTTKSKNLGSLTA 3BS3 Chain:A ((25-71)) -----------TNRWLAEQMGKSENTISRWCSNKSQPSLDMLVKVAELLN--VDPRQLIN-------------------------

General information: TITO was launched using: RESULT: Template: 3BS3.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 : 116 -5751 -49.57 -127.79 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -49.57 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.576

(partial model without unconserved sides chains): PDB file : Tito_3BS3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BS3-query.scw PDB file : Tito_Scwrl_3BS3.pdb: