Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIEPGQRIALVGQSGSGKSTLSKIPSGLYKIDTGKVLFDGVNINQIDKKILSQNLGVVPQDSFLLNRSILDNITL-KHEVTSQK-IEEVCKAVQIYDEIMAMPMKFNTIISEMGSNISGGQRQRIALARALINNPSIVILDEATSALDTINEER-ITKYIKSQGCTQIIVAHRLSTIKDADIIVVMKGGKIVESGNHKYLMDLGGEYYSLYTKRK 3VX4 Chain:A ((56-266)) LSIKKGSKVSLVGASGSGKTTLAKLIVNFYEPNKGIVRINGNDLKVIDKTALRRHISYLPQQAYVFSGSIMDNLVLGAKEGTSQEDIIRACEIAEIRSDIEQMPQGYQTELSD-GAGISGGQKQRIALARALLTQAPVLILDAATSSLDILTEKKIISNLLQMTEKTIIFVAHRLSISQRTDEVIVMDQGKIVEQGTHKELLAKQGFYYNLF----

General information: TITO was launched using: RESULT: Template: 3VX4.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 : 982 -20899 -21.28 -100.48 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -21.28 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.437

(partial model without unconserved sides chains): PDB file : Tito_3VX4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VX4-query.scw PDB file : Tito_Scwrl_3VX4.pdb: