Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKLDETLTMLKDLTDAKGIPGNEREVRQVMKSYIEPFADEVTTDRLGSLIAKKTGAENGPKIMIAGHLDEVGFMVTQITDKGFIRFQTVGGWWAQVMLAQRVTIVTKKGEITGVIGSKPPHILSPEARKKSVEIKDMFIDIGASSREEALEWGVLPGDMIVPHFEFTVMNNEKFLLAKAWDNRIGCAIAIDVLRNLQNTDHPNIVYGVGTVQEEVGLRGAKTAAHTIQPDIAFGVDVGIAGDTPGISEKEAQSKMGKGPQIIVYDASMVSHKGLRDAVVATAEEAGIPYQFDAIAGGGTDSGAIHLTANGVPALSITIATRYIHTHAAMLHRDDYENAVKLITEVIKKLDRKTVDEITYQ 2WYR Chain:D ((8-325)) ----------LKKFTQIPGISGYEERIREEIIREIKDFAD-YKVDAIGNLIVEL--GEGEERILFMAHMDEIGLLITGITDEGKLRFRKVGGIDDRLLYGRHVNVVTEKGILDGVIGATPPH-LS------VIPWYDLVIDIGAESKEEALEL-VKPLDFAVFKKHFSVLNG-KYVSTRGLDDRFGVVALIEAIKDLVDHELEGKVIFAFTVQEEVGLKGAKFLANHYYPQYAFAID-SFACCSP----LTGDVKLGKGPVIRAVDNSAIYSRDLARKVWSIAEKNGIEIQI-GVTGGGTDASAFQ---DRSKTLALSVPIKYLHSEVETLHLNDLEKLVKLI------------------

General information: TITO was launched using: RESULT: Template: 2WYR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1840 -178706 -97.12 -572.78 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain D : 0.80 3D Compatibility (PKB) : -97.12 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_2WYR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WYR-query.scw PDB file : Tito_Scwrl_2WYR.pdb: