Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAHRILIVDDAAFMRMMIKDILVKNGFEVVAEAENGAQAVEKYKEHSPDLVTMDITMPEMDGITALKEIKQIDAQARIIMCSAMGQQSMVIDAIQAGAKDFIVKPFQADRVLEAINKTLN 1PUX Chain:A ((2-119)) MNEKILIVDDQYGIRILLNEVFNKEGYQTF-QAANGLQALDIVTKERPDLVLLDMKIPGMDGIEILKRMKVIDENIRVIIMTAYGELDMIQESKELGALTHFAKPFDIDEIRDAVKKYL-

General information: TITO was launched using: RESULT: Template: 1PUX.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 : 568 -85645 -150.78 -725.81 target 2D structure prediction score : 0.84 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -150.78 2D Compatibility (Sec. Struct. Predict.) : 0.84 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.700

(partial model without unconserved sides chains): PDB file : Tito_1PUX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PUX-query.scw PDB file : Tito_Scwrl_1PUX.pdb: