Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKSKMTNSNYKLTKEDFNQINKRRLFTFQLGWNYERMQASGYLYMILPQLRKMYGDGTPELKEMMKVHTQFFNTSPFFHTIIAGFDLAMEEKDGVGSKDAVNGIKTGLMGPFAPLGDTIFGSLVPAIMGSVAATMAIAGQPWGIFLWIAVAVAYDIFRWKQLEFAYKEGVNLINNMQSTLT--ALIDAASVLGVFMMGALVA---TVINFEISYKLPIGEKMIDFQDILNQIFPRLLPAIFTAFIFWLLGKKGMNSTKAIGIIIVLALALSALGHFALGM 4QDJ Chain:A ((2-230)) ---TNAALDDKTIVRDYFNS-------------------------TGFDRWRRIYGDGQVNFVQKDIRVGHQQTVDSVVAWLVADGNLP-----GLLVCDAGCGVGS-LSIPLAQAGALVYGSDISEKMVGEAQQKAQEVLAYG----------------NQPTFMTQDLAQLGGKYDTVICLDVLIHYPTEEASAMISHLASLADRRLILSFAPKRAYQHKEADIRKILGDNG-------------FSIARTGMTSTRFYYSRILEAVRS----------

General information: TITO was launched using: RESULT: Template: 4QDJ.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 : 1035 -68059 -65.76 -335.27 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -65.76 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.207

(partial model without unconserved sides chains): PDB file : Tito_4QDJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QDJ-query.scw PDB file : Tito_Scwrl_4QDJ.pdb: