Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --GDCFMGLYEAGGRNPNHIIGQETPDDSGIFELRRENGSVIQVKVKKCQLVAYWGWVPLG--QELR 1NEB Chain:? ((1-60)) TAGKIFRAMYDYMAADADEV--SFKDGDA-IINVQAIDEGWMYGTVQRTGR---TGMLPANYVEAI-

General information: TITO was launched using: RESULT: Template: 1NEB.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 : 202 6531 32.33 116.63 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 32.33 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.340

(partial model without unconserved sides chains): PDB file : Tito_1NEB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1neb-query.scw PDB file : Tito_Scwrl_1NEB.pdb: