Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLAGLSREVEENLNKGSWIRKLFDEGARLKKEFGEDQVFDFSLGNPIVEPPEAFKRALIEEAEKGSHGYIQNQGLLAAREKVAQFLGSR--FEADFSAERIVMTVGAGGALNVALKSIVNPGEEVIILAPYFAEYKLYIENYGGKAVSCPL--TSRFEIDIEAVRQSITPQTKGLILNTPHNPTGTVLSQKNIDDLGALLKEIEEKSGQTIYVLFDEPYSQLIYDE----ELANPFQSYHRVILASSFSKDLGIAGERLGYIGLDSRMPDADLLINAF-VYCNRT-LGFVNAPVMM-QRAVARMDDLRVDASAYKERRDLMVDILKEAGFEFEMPKGGFFVFPKSPIED----EVAFCVHAAQKYKLLIVPSSGFGMS--GHFRLSFSVPIEQIKNSRDIFISLYKDFA 1GDE Chain:A ((9-377)) -------------LVSASEIRKLFDIAAGMK------DVISLGIGEPDFDTPQHIKEYAKEALDKGLTHYGPNIGLLELREAIAEKLKKQNGIEADPKTE-IMVLLGANQAFLMGLSAFLKDGEEVLIPTPAFVSYAPAVILAGGKPVEVPTYEEDEFRLNVDELKKYVTDKTRALIINSPCNPTGAVLTKKDLEEIADFVVE------HDLIVISDEVYEHFIYDDARHYSIASLDGMFERTITVNGFSKTFAMTGWRLGFVAAPSWIIERMVKFQMYNATCPVTFIQYAAAKALKDERSWKAVEEMRKE---YDRRRKLVWKRLNEMGLPTVKPKGAFYIFPR--IRDTGLTSKKFSELMLKEARVAVVPGSAFGKAGEGYVRISYATAYEKLEEAMD----------

General information: TITO was launched using: RESULT: Template: 1GDE.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 : 2079 -224653 -108.06 -638.22 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -108.06 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.600

(partial model without unconserved sides chains): PDB file : Tito_1GDE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1GDE-query.scw PDB file : Tito_Scwrl_1GDE.pdb: