Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKVKRNAPCPCGSGKKYKKCCGSKVVDFPAELAAKEAKQIQEDLVEYAFTVHRESISGFINQHDFLSAMDRQTKDISVFNLGIWGIFFHPLAGEKTIFEEYLQKKGDSITRPKTREIVESWQSMTPALLLLKDLKEGIIHFEDVITAKQFEVEMDASNQDLPPVGSLILGYPIHEAEKAEFFMQFTIFPVKRTEALISKVKKYADAAVKDGKTPEDFMKQEFNNVLFALLAEKDEEPQAEKAEVSTVEWANDLEKETAAAIEEGMSGEEYPTELIPAVIDIWKTFCEKKSPVIRKPEAFAAAVEYYVNAISLNGASVSQAKLAKKYGVSASTISSRYKEIESTLQDEADRFAQALSS 4BBR Chain:M ((127-214)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QAAFAKITMLCDAAELPKIVKDCAKEAYKLCHDEKTLKGKSMESIMAASILIGCRRA--EVARTFKEIQSLIHVKTKEFGKTLNIMKNIL-------------

General information: TITO was launched using: RESULT: Template: 4BBR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain M - contact count / total energy / energy per contact / energy per residue : 354 -51873 -146.53 -589.47 target 2D structure prediction score : 0.78 Monomeric hydrophicity matching model chain M : 0.57 3D Compatibility (PKB) : -146.53 2D Compatibility (Sec. Struct. Predict.) : 0.78 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_4BBR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BBR-query.scw PDB file : Tito_Scwrl_4BBR.pdb: