Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERIKINSITIDEAKKHAVFVVKKELCCNVNKVQYLGGGSFGYIYKVDIDRPPYTVVMKACRCDNMCEREAFELNLLAKDSLIQIPKVYFTYLKDDIVSIDYICMEYVEGKDCFTDFSKLFLSKAKKRAFADKITSAMYAWHSKTNDKF---GLVQNA--N-YDEWLDYYKPFAFDILQKARNMVDRGELESYFLKVMELAWNNFDYIFSEKVEHASLIHGDLNVMNILADDKLNPIAIIDPLESKWADREYDLFQLKNLT---GNAFGLYEMYKSKYPTSKNCDLKVAFYAMFHEIYCYIRSGRRTKINHLRCLLNLKIELNNVSIHS 3W0S Chain:A ((6-277)) ------------LTATSVEKFLIEKFD-SVSDLMQLSEGEESRAFSFDVGGR--GYVLRVNSCADGFYKDRYVYRHFAS-AALPIPEVLDIGEFS--ESLTYCISRRAQGVTLQ-DL-----PETELPAVLQPVAEAMDAIAAADLSQTSGFGPFGPQGIGQYTTWRDFICAI---ADPHVYHWQ--TVMDDTVSASVAQALDELMLWAEDCPEVRHLVHADFGSNNVLTDNG-RITAVIDWSEAMFGDSQYEVANIFFWRPWLACMEQQTRYFERRHPEL-AGSPRLRAYMLRIGLDQLYQS--------------------------

General information: TITO was launched using: RESULT: Template: 3W0S.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 : 1224 -66900 -54.66 -254.37 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -54.66 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.379

(partial model without unconserved sides chains): PDB file : Tito_3W0S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3w0s-query.scw PDB file : Tito_Scwrl_3W0S.pdb: