Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYKPYMISYDLNN----PGQKYDKVFEIIKEFGAYIKLQKSFWLVKT-NLNPNQMCEKLNTVLDN-NDSLFICELQKNYQGRATEENWKFINEHIFS 3OQ2 Chain:B ((8-82)) --MLVLISYDVSFEDPGGQRRLRRIAKACQDYGQ--RVQYSVFECVVDPAQWAKLKHRLLSEMDKEKDCLRFYYLGANW------------------

General information: TITO was launched using: RESULT: Template: 3OQ2.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 : 248 -16791 -67.71 -243.35 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -67.71 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.709

(partial model without unconserved sides chains): PDB file : Tito_3OQ2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OQ2-query.scw PDB file : Tito_Scwrl_3OQ2.pdb: