Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTIGFIGLGVMGKSMASHILNDGHPVLVYTRTKEKAESILQKGAIWKDTVKDLSKEADV--------IITMV--GYPSDVEEVYFGSNGIIENAK----EGAYLIDMTTSKPSLAKKIAEAAKEKALFALDAPVSGGDIGAQNGTLAIMVGGEKEAFEACMPIFSLMGENIQ------YQGPAGSGQHTKMCNQIAIAAGMIGVAEAMAYAQKSGLEPENVLKSITTGAAGSWSLSNLAPRMLQGNFEPGFYVKHFIKDMGIALEEAELMGEEMPGLSLAKSLYDKLAAQGEENSGTQSIYKLWVK 2W8Z Chain:B ((4-200)) -KHQIGVIGLAVMGKNLALNIESKGYSVAVYNRLREKTDEFLQE-AKGKNIVGTYSIEEFVNALEKPRKILLMVKAGAPTD---------ATIEQLKPHLEKGDIVIDGGNTYFKDTQRRNKELAELGIHFIGTGVSGGEEGALKGP-SIMPGGQKEAHELVRPIFEAIAAKVDGEPCTTYIGPDGAGHYVKMVHNGIEYGDMQLIAEA---------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2W8Z.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 869 -81581 -93.88 -460.91 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -93.88 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.360

(partial model without unconserved sides chains): PDB file : Tito_2W8Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W8Z-query.scw PDB file : Tito_Scwrl_2W8Z.pdb: