Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREEEKKTSQVKKLQQFFRKRWVFPAIYLVSAAVILTAVLWYQSVSNDEVKDQLADNGGNSAYDNNDDAVEVGKSMENVAMPVVDSENVSVVKKFYETDAAKEEKEAALVTYNNTYSLS------------KGIDLAEKDG----KDFDVSASLSGTVVKAEKDPVLGYVVEVEHADGLSTVYQSLSEVSVEQGDKVKQNQVIGKSGKNLYS------EDSGNHVHFEIRKDGVAMNPLNFMDKPVSSIEKAATQETEESIQQSSEKKDGSTE--------KGTEEKSGEKKDDSTDKSGSKESSTTEDTEQS 3IT5 Chain:A ((1-182)) ---------------------------------------------------------------------------------------------------APPSNLMQLPWRQGYSWQPNGAHSNTGSGYPYSSFDASYDWPRWGSATYSVVAAHAGTVRVLS-----RCQVRVTHPSGWATNYYHMDQIQVSNGQQVSADTKLGVYAGNINTALCEGGSSTGPHLHFSLLYNGAFVSLQGASFGPYRINVGTSNYDNDCRRYYFYNQSAGTTHCAFRPLYNPGLAL---------------------------

General information: TITO was launched using: RESULT: Template: 3IT5.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 : 831 30216 36.36 198.79 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 36.36 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.243

(partial model without unconserved sides chains): PDB file : Tito_3IT5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IT5-query.scw PDB file : Tito_Scwrl_3IT5.pdb: