Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTIHITHPHHLIKEEQAKSVMALGYFDGVHLGHQKVIGTAKQIAEEKGLTLAVMTFHPHPSHVLGRDKEPKDLITPLEDKINQIEQLGTEVLYVVKFNEVFASLSPKQFIDQYII--GLNVQHAVAGFDFTYGKYGKGTMKTMPDDLDGKAGCTMVEKLTEQDKKISSSYIRTALQNGDVELANVLLGQPYFIKGIVIHGDKR-GRTIGFPTANVGLNNSYIVPPTGVYA-------VKAEVNGEV-----YNGVCNIGYKPTFYEKRPEQPSIEVNLFDFNQEVYGAAIKIEWYKRIRSERKFNGIKELTEQIEKDKQEAIRYFSNLRK 3ZUG Chain:A ((17-313)) -------------------SAVTIGVFDGVHRGHQKLINATVEKAREVGAKAIMVTFDPHPVSVFLPRRAPLG-ITTLAERFALAESFGIDGVLVIDFTRELSGTSPEKYV-EFLLEDTLHASHVVVGANFTFGENAAGTADSLRQICQSRLTVDVIDLLDDEGVRISSTTVREFLSEGDVARANWALGRHFYVTGPVVRGAGRGGKELGFPTANQYFHDTVALPADGVYAGWLTILPTEAPVSGNMEPEVAYAAAISVGTNP---D---EQRSVDSFVLDRDADLYGHDVKVEFVDHVRAMEKFDSVEQLLEVMAKDVQK----------

General information: TITO was launched using: RESULT: Template: 3ZUG.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 : 1403 -158066 -112.66 -566.54 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -112.66 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_3ZUG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZUG-query.scw PDB file : Tito_Scwrl_3ZUG.pdb: