Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------MSSIVYAFVGGLLLGIATVGYLYINGRIAGISGLLA---QFISPSRDIFKSSAFWFI------------AGLVITPFIYGYFYQ---PEIEIKANSFVLILAGL-LVGFGTRLGSGCTSGHGICGMSRLSKRSIIASAIFM--FAGMLTVYIIRHVLG-------------------------------------------------------------------------------------------------------------------------- 5JDA Chain:A ((1-359)) SMLPSYDFFIHPMNLVELKKDIWSDSPVPAKLTYGKKKYDIDIVYRGAHIREFEKKSYHVMFYKPKKFQGAKEFHLNSEFMDPSLIRNKLSLDFFHDIGVLSPKSQHVFIKINGQIQGVYLQLESVDENFLKNRGLPSGSIYYAIDDDANFSLMSERDKDVKTELFAGYEFKYSNENSEEQLSEFVFQANALSREAYEKEIGKF---------LHVDKYLRWLAGVIFTQNFDGFVHNYALYHNDETNLFEVIPWDYDATWGRDVQGRPLNHEYIRIQGYNTLSARLLDIPIFRKQYRSILEEILAEQFTVSFMMPKVESLCESIRPYLLQDPYMKEKLETFDQEADMIEEYINKRRKYIQDHLHELD

General information: TITO was launched using: RESULT: Template: 5JDA.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 : 545 -38817 -71.22 -303.25 target 2D structure prediction score : 0.33 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -71.22 2D Compatibility (Sec. Struct. Predict.) : 0.33 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.028

(partial model without unconserved sides chains): PDB file : Tito_5JDA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5JDA-query.scw PDB file : Tito_Scwrl_5JDA.pdb: