Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFMTESRLTHLKQLEAESIHIIREVAAEFENPVMLYSIGKDSAVMLHLALKAFYPAKLPFPLLHVDTGWKFKDMIAFRDNMAKTHGFDLIVHQNKEGREA---GINPFDHGSSKYTDIMKTQALKQALDKYQ-FDAAFGGARRDEEKSRAKERVYSFRDSKHRWDPKNQRPELWNLYNGKVNKGESIRVFPLSNWTELDIWQYIYLENIQIVPLYFSAVRPVVERSGTLIMVDDERMRLKEGEVPQMKSVRFRTLGCYPLTGAVESEADTLPEIIQEMLLATSSERQGRMIDHDEAGSMEKKKQEGYF 2YWC Chain:A ((193-391)) -----------EHVLEELLREVRERAG-KDRVLLAVSGGVDSSTLALLLAKAG----VDHLAVFVDHGLLRLGEREEVEGALRALGVNLLVVDAKERFLKALKGVEDPEEKRKIIGREF-VAAFSQVARERGPFRFLAQGTLYPDVIE----------------------G-G------LPEDLEFELLEPFRLLFKDEVRELALLLGLPDTLRLRH-------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2YWC.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 : 729 -47097 -64.60 -282.02 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -64.60 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_2YWC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YWC-query.scw PDB file : Tito_Scwrl_2YWC.pdb: