Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKLLSFLKNKALGSSIDYKILPRKVKFDWKDTPIDWIPNQPFASYFINEINNILPAGEFWFC-RLYNKVLPR----ITDEKLKQDVQAFIRQEAMHANAHTSANKEYLSARNIDIQRNL----DI--MNYLFTTALADKPFDKEVPQFLQEQWDLFRLGVIATVEHMTCVLGKYALYNKRWEELGADPEMVDLVKWHGSEEIEHRTVAFDLYRHLGGGYIPRYYLSLAVIVLVLGLWVDGAAHIMKQDPRFADAAKSRFFAAWVALEWYKISRKDNQVLPNPIWLIAQQIDYLMPWYDPVKEGSTEDAVSYLSQSPAAKRAELQAA 2JCD Chain:A ((99-251)) -----------------------------------------------WIGYNERVIATEQLIAEPAFDLVMHGVFPGSDDPLIRKSVQQAIVDESFHTYMHMLAIDRTRELR----KISERPPQPELVTYRRLRRVLAD-MPEQWE-------RDIAVLVWGAVAETCINALLALLARD----A-TIQPMHSLITTLHLRDETAHGSIVVEVVRELY--------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2JCD.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 : 469 -27904 -59.50 -196.51 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -59.50 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.312

(partial model without unconserved sides chains): PDB file : Tito_2JCD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JCD-query.scw PDB file : Tito_Scwrl_2JCD.pdb: