Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKSKVAKELKRQQLVEQYAGIRRELKEKGDY---------EALSKLPRDSAPGRLHNRCMVTGRPRAYMRKFKMSRIAFRELAHKGQIPGVKKASW 2YKR Chain:N ((1-100)) -AKQSMKAREVKRVALADKYFAKRAELKAIISDVNASRWNAVLKLQTLPRDSSPSRQRNRCRQTGRPHGFLRKFGLSRIKVREAAMRGEIPGLKKASW

General information: TITO was launched using: RESULT: Template: 2YKR.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 : 203 -4851 -23.90 -55.13 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain N : 0.77 3D Compatibility (PKB) : -23.90 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.365

(partial model without unconserved sides chains): PDB file : Tito_2YKR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YKR-query.scw PDB file : Tito_Scwrl_2YKR.pdb: