Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDVRLSDRVNAIKPSPTLAVTNKAAELKAAGKNVIGLGAGEPDFDTPQHIKDAAIEAINNGFTKYTAVDGTPGLKKAIIAKLKRDNNLDYQPNQILVSCGGKQSFFNLALALLNKGDEVIIPAPFWVSYPDMVIIAEGTPVIVKCGEEQRFKITPEQLEAAITPNTRLVVLNSPSNPTGMIYSKAELEALAEVLRRHPQVFVASDDMYEPIRWEDEFYNIATVAPDLYDRTIVLNGVSKAYAMTGWRIGYAAGPAKIIGAMKKIQSQSTSNPTSISQVAAEAALNGPQDVLKPMI----EAFKRRHDLVVNGLNDIKGISCLPADGAFYAYANIRPL----IRAKGLKSCTEFSEWLLEETGVAVVPGDAFGLGGFMRISYATADEVLVDALARIKKAAESIEGVDAAIASIEAEKAAK 1B5P Chain:A ((4-380)) ----LSRRVQAMKPSATVAVNAKALELRRQGVDLVALTAGEPDFDTPEHVKEAARRALAQGKTKYAPPAGIPELREALAEKFRRENGLSVTPEETIVTVGGSQALFNLFQAILDPGDEVIVLSPYWVSYPEMVRFAGGVVVEVETLPEEGFVPDPERVRRAITPRTKALVVNSPNNPTGAVYPKEVLEALARLAVEH-DFYLVSDEIYEHLLYEGEHFSPGRVAP---EHTLTVNGAAKAFAMTGWRIGYACGPKEVIKAMASVSRQSTTSPDTIAQWATLEALTN-QEASRAFVEMAREAYRRRRDLLLEGLTAL-GLKAVRPSGAFYVLMDTSPIAPDEVRA---------AERLL-EAGVAVVPGTDFAAFGHVRLSYATSEENLRKALERFAR----------------------

General information: TITO was launched using: RESULT: Template: 1B5P.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 : 2107 -148585 -70.52 -402.67 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -70.52 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.534

(partial model without unconserved sides chains): PDB file : Tito_1B5P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1B5P-query.scw PDB file : Tito_Scwrl_1B5P.pdb: