Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTIGFIGLGVMGKSMASHILNDGHPVLVYTRTKEKAESILQKGAIWKDTVKDLSKEADV--------IITMV--GYPSDVEEVYFGSNGIIENAK----EGAYLIDMTTSKPSLAKKIAEAAKEKALFALDAPVSGGDIGAQNGTLAIMVGGEKEAFEACMPIFSLMGENIQ------YQGPAGSGQHTKMCNQIAIAAGMIGVAEAMAYAQKSGLEPENVLKSITTGAAGSWSLSNLAPRMLQGNFEPGFYVKHFIKDMGIALEEAELMGEEMPGLSLAKSLYDKLAAQGEENSGTQSIYKLWVK 2W90 Chain:A ((5-201)) -KHQIGVIGLAVMGKNLALNIESKGYSVAVYNRLREKTDEFLQE-AKGKNIVGTYSIEEFVNALEKPRKILLMVKAGAPTD---------ATIEQLKPHLEKGDIVIDGGNTYFKDTQRRNKELAELGIHFIGTGVSGGEEGALKGP-SIMPGGQKEAHELVRPIFEAIAAKVDGEPCTTYIGPDGAGHYVKMVHNGIEYGDMQLIAEA---------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2W90.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 : 881 -82009 -93.09 -463.33 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -93.09 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.374

(partial model without unconserved sides chains): PDB file : Tito_2W90.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W90-query.scw PDB file : Tito_Scwrl_2W90.pdb: