Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQLTVDEAAKEILAYQQITF-LTGAGVSTPSGVPDYRSLSGIYHGMEQP----EYLLSHQAMVNEPDKFYQFVKKIYHP--EAKPNIIHLEIAHLAKEKNVW--VVSQNIDGLHAKAKSPQLVNFHGSLYQCHCRKCQQ--TVD--WKEYLHSDKH--QACGGQIRPDIVLYGEGFQDGVMEQAAYAVSQAELIVIVGTSFQVHPFCD--LVQFRQPSAKILVIN--QTPVYLAEPYTFIQEDGAVVFKKIQELGADYD 4BV2 Chain:A ((8-219)) -----------DLLNESRLTVTLTGAGISTPSGIPDF---------YSQNVFDIDFFYSH------PEEFYRFAKEGIFPMLQAKPNLAHVLLAKL-EEKGLIEAVITQNIDRLHQRAGSKKVIELHGNVEEYYCVRCEKKYTVEDVIKKLESSDVPLCDDCNSLIRPNIVFFGENLPQDALREAIGLSSRASLMIVLGSSLVVYPAAELPLITVRS-GGKLVIVNLGETP-----------------------------

General information: TITO was launched using: RESULT: Template: 4BV2.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 : 894 -11061 -12.37 -60.11 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -12.37 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_4BV2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BV2-query.scw PDB file : Tito_Scwrl_4BV2.pdb: