Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTIGFIGLGVMGKSMASHILNDGHPVLVYTRTKEKAESILQK-GAIWKDTVKDLSKEADVIITMVGYPSDVEEVYFGSNGIIENAKEGAYLIDMTTSKPSLAKKIAEAAKEKALFALDAPVSGGDIGAQNGTLAIMVGGEKEAFEACMPIFSLMGENIQYQGP-AGSGQHTKMCNQIAIAAGMIGVAEAMAYAQKSGLEPENVLKSITTGAAGSWSLSNLAPRMLQGNFEPGFYVKHFIKDMGIALEEAELMGEEMPGLSLAKSLYDKLAAQGEENSGTQSIYKLWVK 3G0O Chain:A ((7-293)) -DFHVGIVGLGSMGMGAARSCLRAGLSTWGADLNPQACANLLAEGACGAAASAREFAGVVDALVILVVNAAQVRQVLF--DGVAHLMKPGSAVMVSSTISSADAQEIAAALTALNLNMLDAPVSGGAVKAAQGEMTVMASGSEAAFTRLKPVLDAVASNVYRISDTPGAGSTVKIIHQLLAGVHIAAAAEAMALAARAGIPLDVMYDVVTHAAGNSWMFENRMQHVVDGDYTPRSAVDIFVKDLGLVADTAKALRFPLPLASTALNMFTSASNAGYGKEDDSAVIKIF--

General information: TITO was launched using: RESULT: Template: 3G0O.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 : 1652 -217913 -131.91 -770.01 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -131.91 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_3G0O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3G0O-query.scw PDB file : Tito_Scwrl_3G0O.pdb: