Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSRTKNLLSHEDIQRLVKVNFGEEYEHKIGEIKELKGGMFNAIYLIQRVDEKNGIVLKVGVAPGRDLLTYEQDIMPTEVACYQLIKEKTSIPIPEILKYDFSKKYIDSNYFFMEELKGVPLSKASKLMNKPSLDKIKSKLAEYLVQLHKIEGNY---FGYFTDEKKYQYDTWKNAFLSMFGQLLEDCKFHKVNIPYERIEQALKYNIQFLE-EIKKPSLVMFDCHEGNVFVNKRNGEYEIQGIIDFERAFWGDPAADFPAAFIMSDDIRKEEAFLASYFEKSDTKKEYTRDDEIRFQMYRMYILTVMAGETFRYGPLYAKMQREWAKSGILKCLEILED 3W0S Chain:A ((6-278)) --------LTATSVEKFLIEKFDS-----VSDLMQLSEGEESRAFSFDVG-GR-GYVLRVNSCA---------DGFYKDRYVYRHFAS-AALPIPEVLDIGEFS--ESLTYCISRRAQGVTLQDL----PETELPAVLQPVAEAMDAIAAADLSQTSGFGPFGPQGIGQYTTWRDFICAIADPHVYHWQTVMDDTVSASVAQALDELMLWAEDCPEVRHLVHADFGSNNVLTDN----GRITAVIDWSEAMFGDSQYEVANIFFWRPWLACMEQQTRYFERRHP-----ELAGSPRLRAYMLRIGLDQLYQSL---------------------------

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 : 1268 -95623 -75.41 -355.48 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -75.41 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.369

(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: