Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDVRLSDRVNAIKPSPTLAVTNKAAELKAAGKNVIGLGAGEPDFDTPQHIKDAAIEAINNGFTKYTAVDGTPGLKKAIIAKLKRDNNLDYQPNQILVSCGGKQSFFNLALALLNKGDEVIIPAPFWVSYPDMVIIAEGTPVIVKCGEEQRFKITPEQLEAAITPNTRLVVLNSPSNPTGMIYSKAELEALAEVLRRHPQVFVASDDMYEPIRWEDEFYNIATVAPDLYDRTIVLNGVSKAYAMTGWRIGYAAGPAKIIGAMKKIQSQSTSNPTSISQVAAEAALNGPQDVLKPMI----EAFKRRHDLVVNGLNDIKGISCLPADGAFYAYANIRPL----IRAKGLKSCTEFSEWLLEETGVAVVPGDAFGLGGFMRISYATADEVLVDALARIKKAAESIEGVDAAIASIEAEKAAK 5BJ4 Chain:B ((4-380)) ----LSRRVQAMKP----------------GVDLVALTAGEPDFDTPEHVKEAARRALAQGKTKYAPPAGIPELREALAEKFRRENGLSVTPEETIVTVGGSQALFNLFQAILDPGDEVIVLSPYWVSYPEMVRFAGGVVVEVETLPEEGFVPDPERVRRAITPRTKALVVNSPNNPTGAVYPKEVLEALARLAVEH-DFYLVSDEIYEHLLYEGEHFSPGRVAP---EHTLTVNGAAKAFAMTGWRIGYACGPKEVIKAMASVSRQSTTSPDTIAQWATLEALTN-QEASRAFVEMAREAYRRRRDLLLEGLTAL-GLKAVRPSGAFYVLMDTSPIAPDEVRA---------AERLL-EAGVAVVPGTDFAAFGHVRLSYATSEENLRKALERFAR----------------------

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 -153119 -75.61 -433.76 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -75.61 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.521

(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: