Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTIHITHPHHLIKEEQAKSVMALGYFDGVHLGHQKVIGTAKQIAEEKGLTLAVMTFHPHPSHVLGRDKEPKDLITPLEDKINQIEQLGTEVLYVVKFNEVFASLSPKQFIDQYII--GLNVQHAVAGFDFTYGKYGKGTMKTMPDDLDGKAGCTMVEKLTEQDKKISSSYIRTALQNGDVELANVLLGQPYFIKGIVIHGDKR-GRTIGFPTANVGLNNSYIVPPTGVYA-------VKAEVNGEV-----YNGVCNIGYKPTFYEKRPEQPSIEVNLFDFNQEVYGAAIKIEWYKRIRSERKFNGIKELTEQIEKDKQEAIRYFSNLRK 2X0K Chain:A ((17-313)) -------------------SAVTIGVFDGVHRGHQKLINATVEKAREVGAKAIMVTFDPHPVSVFLPRRAPLG-ITTLAERFALAESFGIDGVLVIDFTRELSGTSPEKYV-EFLLEDTLHASHVVVGANFTFGENAAGTADSLRQICQSRLTVDVIDLLDDEGVRISSTTVREFLSEGDVARANWALGRHFYVTGPVVRGAGRGGKELGFPTANQYFHDTVALPADGVYAGWLTILPTEAPVSGNMEPEVAYAAAISVGTNPTFGD---EQRSVESFVLDRDADLYGHDVKVEFVDHVRAMEKFDSVEQLLEVMAKDVQK----------

General information: TITO was launched using: RESULT: Template: 2X0K.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 : 1410 -159276 -112.96 -564.81 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -112.96 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_2X0K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2X0K-query.scw PDB file : Tito_Scwrl_2X0K.pdb: