Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNMTDLKAIQARSLEMAEYFVAFCKEHDLLCYLCGGGAIGALRNKGFIPWDDDLDFFMPRKDYEKLAELWPRYADERYFLSKSHKDFVDRNLFITIRDKKTTCIKPYQQDLDLPHGLALDVLPLDYYPKNPAERKKQVRWALIYSLFCAQTIPEKHGDLMKWGSRILLGLTPKSLRYRIWKKAEKEMTKYDLADCDGITELCSGPGYMRNKYPITSFEDNLFLPFEGTEMPIPIGYDVYLRTAFGDYMTPPPADKQVPHHDTVIADMDKSYTEYKGEYGG 4WQK Chain:A ((6-64)) -------------QVTLIHKILAAADERNLPLWIGGGWAIDARLGRV-TRKHDDIDLTFPGERRGELEAIVEM----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WQK.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 : 150 -32741 -218.27 -554.92 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -218.27 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.693

(partial model without unconserved sides chains): PDB file : Tito_4WQK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WQK-query.scw PDB file : Tito_Scwrl_4WQK.pdb: