Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDVRLSDRVNAIKPSPTLAVTNKAAELKAAGKNVIGLGAGEPDFDTPQHIKDAAIEAINNGFTKYTAVDGTPGLKKAIIAKLKRDNNLDYQPNQILVSCGGKQSFFNLALALLNKGDEVIIPAPFWVSYPDMVIIAEGTPVIVKCGEEQRFKITPEQLEAAITPNTRLVVLNSPSNPTGMIYSKAELEALAEVLRRHPQVFVASDDMYEPIRWEDEFYNIATVAPDLYDRTIVLNGVSKAYAMTGWRIGYAAGPAKIIGAMKKIQSQSTSNPTSISQVAAEAALNGPQ--D-VLKPMIEAFKRRHDLVVNGLNDIKGISCLPADGAFYAYANIRPLIRAKGLKSCTEFSEWLLEETGVAVVPGDAFGLGGFMRISYATADEVLVDALARIKKAAESIEGVDAAIASIEAEKAAK 1B5P Chain:B ((4-382)) ----LSRRVQAMKPSATVAVNAKALELRRQGVDLVALTAGEPDFDTPEHVKEAARRALAQGKTKYAPPAGIPELREALAEKFRRENGLSVTPEETIVTVGGSQALFNLFQAILDPGDEVIVLSPYWVSYPEMVRFAGGVVVEVETLPEEGFVPDPERVRRAITPRTKALVVNSPNNPTGAVYPKEVLEALARLAVEH-DFYLVSDEIYEHLLYEGEHFSPG-RV--APEHTLTVNGAAKAFAMTGWRIGYACGPKEVIKAMASVSRQSTTSPDTIAQWATLEALTNQEASRAFVEMAREAYRRRRDLLLEGLTAL-GLKAVRPSGAFYVLMDTSPIAP-----DEVRAAERLL-EAGVAVVPGTDFAAFGHVRLSYATSEENLRKALERFARVL--------------------

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 B - contact count / total energy / energy per contact / energy per residue : 2180 -148972 -68.34 -396.20 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -68.34 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.569

(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: