Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYTKNEEELQALGERLGHLLAKNDVLILTGELGAGKTTFTKGLAKGLQISQMIKSPTYTIVREYEGRLPLYHLDVYRIEGDADSIDLDEFIFGGGVTVIEWGNLLGDALPDAYLELEILKEADGRRLNFQAKGLRAEKLLEELQYGV 3A4N Chain:B ((6-44)) ------------------------LIILTGLPGVGKSTFSKNLAKILS---------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3A4N.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 : 21 -4071 -193.83 -169.60 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain B : 0.56 3D Compatibility (PKB) : -193.83 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.907

(partial model without unconserved sides chains): PDB file : Tito_3A4N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A4N-query.scw PDB file : Tito_Scwrl_3A4N.pdb: