Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKSKVAKELKRQQLVEQYAGIRRELKEKGDY------------EALSKLPRDSAPGRLHNRCMVTGRPRAYMRKFKMSRIAFRELAHKGQIPGVKKASW 5AJ3 Chain:N ((31-128)) ---DWKMLRDVKRRKMAYEYADERLRINSLRKNTILPKDLQEVADEEIASLPRDSCPVRIRNRCVMTSRPRGVKRRWRLSRIVFRHLADHGQLSGVQRAMW

General information: TITO was launched using: RESULT: Template: 5AJ3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain N - contact count / total energy / energy per contact / energy per residue : 217 -12465 -57.44 -144.94 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain N : 0.82 3D Compatibility (PKB) : -57.44 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.576

(partial model without unconserved sides chains): PDB file : Tito_5AJ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AJ3-query.scw PDB file : Tito_Scwrl_5AJ3.pdb: