Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANPLDHKIKEYLRKLDPTILDIDNIQSISTHKIGLGESNLNYLAIINGKKFNIRINMYPHFPKKSE--NEFNSLKIVEPLGITPKVFHYEASKEILGETFIILEYLDGRSLNKYKKIGGDVIRKLGVAVAQLHNTNINNIENRLKRHGSSKMDLLN------IIKQMIEYINRKRKHYFPIRGVFENV---LEKSYKHLQRLNF------PIKPSYV--LGHGDIDP----SNVISSQRKLK-LIDWEDLGLMDPALEIVGLFDSFDLSNKEKELFLKGYLEVREDTSLK---KKLPIFLPFQIFRVFCWAIMHIYELGEGETNEVFLKEQDLKEHIDYTEKMFTKCKKAEIIDKDVRWNISEIVPEHYLKLTT 3TDW Chain:A ((20-268)) ------------------------SIQSVES----LGEGFRNYAILVNG-------DWVFRFPKSQQGADELNKEIQLLPLLVG-------CVKVNIPQYVYIGKRSDGNPFVGYRKVQGQILGEDGMAVLP------DDAKDRLALQLAEFMNELSAFPVETAISAGVPVTNLKNKILLLSEAVEDQVFPLLDESLRDYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISDPDYDYVYLLEDC------GELFTRQVMAYRGEVDLDTHIRKVSLFVTF------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TDW.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 : 904 11412 12.62 51.41 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 12.62 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.141

(partial model without unconserved sides chains): PDB file : Tito_3TDW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3tdw-query.scw PDB file : Tito_Scwrl_3TDW.pdb: