Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKLLSFLKNKALGSSIDYKILPRKVKFDWKDTPIDWIPNQPFASYFINEINNILPAGEFWFCRLYNKVLPRIT-DEKLKQDVQAFIRQEAMHANAHTSANKEYLSARNIDIQRNLDIM--NY-LFTTALADKPFDKEVPQFLQEQWDLFRLGVIATVEHMTCVLGKYALYNKRWEELGADPEMVDLVKWHGSEEIEHRTVAFDLYRHLGGGYIPRYYLSLAVIVLVLGLWVDGAAHIMKQDPRFADAAKSRFFAAWVALEWYKISRKDNQVLPNPIWLIAQQIDYLMPWYDPVKEGSTEDAVSYLSQSPAAKRAELQAA 3HIU Chain:D ((16-161)) --------------------------------------------------------AMEKEAETMMAAMASRIEHYPELKRRIEQHVEETQQQSAGVQRCLELLNG-------SIPTAKGMLSSVLAS--------------MTD-EVTKGVGISYAFEHLEIASYRALVVAAR--S-AGEQEVAQICEDILQQEIEMAEWLIEHQEAIVVAFLEREQL-----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3HIU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 476 -5585 -11.73 -41.68 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain D : 0.55 3D Compatibility (PKB) : -11.73 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.344

(partial model without unconserved sides chains): PDB file : Tito_3HIU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HIU-query.scw PDB file : Tito_Scwrl_3HIU.pdb: