Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLSNRVLEMEESVTLAAGARAKALKAEGRDILSLTLGEPDFTTPKNIQDAAIASIRDGRASFYTVTSGLPELKAVVNSYFERFYGYSVASNQVTVAAGAKYSLYTFFMAVVNPGDEVIIPTPYWVSYGDQVKMAEGVPVFVSAKEDNHFKVTVEQLEAARTDKTKVLVLNSPSNPTGMIYTREELLAIGNWAVENDILILADDIYGRLVYNGHEFTPISSLSEAIRKQTVVINGVSKTYAMTGWRIGYAVGEADIIAAMSKIAGQTTSNPSAVAQYAAVEALSGEQDT---VESMRQAFEERLNTIYPLLAEVPGFEVVKPQGAFYLF-------PNVKKAMEMKGYTDVTDFTTAILEEAEVALVTGAGFGAPENVRLSYATDLDTLKEAVERLKAFMGSEND 5BJ4 Chain:B ((4-382)) --LSRRVQAMKP----------------GVDLVALTAGEPDFDTPEHVKEAARRALAQGKTK-YAPPAGIPELREALAEKFRRENGLSVTPEETIVTVGGSQALFNLFQAILDPGDEVIVLSPYWVSYPEMVRFAGGVVVEVETLPEEGFVPDPERVRRAITPRTKALVVNSPNNPTGAVYPKEVLEALARLAVEHDFYLVSDEIYEHLLYEGEHFSPGRVAPE----HTLTVNGAAKAFAMTGWRIGYACGPKEVIKAMASVSRQSTTSPDTIAQWATLEALTNQEASRAFVEMAREAYRRRRDLLLEGLTAL-GLKAVRPSGAFYVLMDTSPIAPDEVRAAER-------------LLEAGVAVVPGTDFAAFGHVRLSYATSEENLRKALERFARVL-----

General information: TITO was launched using: RESULT: Template: 5BJ4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2025 -123929 -61.20 -351.07 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -61.20 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.549

(partial model without unconserved sides chains): PDB file : Tito_5BJ4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BJ4-query.scw PDB file : Tito_Scwrl_5BJ4.pdb: