Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKTTNGWINGFIGVLIFSGSLPATRLAVSDFDPLFLTVCRAAIAGVLAGGLLLIFRQQHPAKRDLISLLVVA--FGVVIGFPLLTALALQHVTSAHAIVFIGLLPLATAVFGVLRGGERPRPVFWIFSAAGSLLVAGFALIQGGGS---SPLGDAYMLASIVVCGLGYAEGAKLSRRLGNWQVISWALVLSLPLMLPLSFFFTP-DSWSAIGVPALLSLAYVSLFSMLIGFVFWYRGLAQGGIAAVGQLQLLQPFFGLLLASVILHEKVGWALVAVNIAVIMCVAAARRFAK 4RS2 Chain:A ((9-188)) ------------------HHTDPALRALIRVEIPIDAPGIDALLRRSFESDAEAKLVHDLREDGFLTLGLVATDDEGQVIGYVAFSPVDVQGEDLQ----WVGMAPLAVDEKYRGQG------------LARQLVYEGLDSLNEFGYAAVVTLGDPALYSRF---GFELAAHHDLRCRWPGTESAFQVHRLADDALNGVTGLVEYHEHFNRFGLCGR----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4RS2.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 : 808 -145048 -179.51 -833.61 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -179.51 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.341

(partial model without unconserved sides chains): PDB file : Tito_4RS2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RS2-query.scw PDB file : Tito_Scwrl_4RS2.pdb: