Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPKIKPIKLVIIVVCIAIIAVLAWKFLKPKQQQPQYITAEVTRGDIENNVLATGTLDATKLISVGAQVSGQVKKMYVQLGDQVKQGQLIAQIDSTTQENSLKTSDANIKNLEAQRLQQVASLNEKQLEYRRQQQMYAQDATPRADLESAEAAYKTAQAQVKALDAQIESAKVTRSTAQTNIGYTRIVAPTDGTVVAIVTEEGQTVNANQSAPTIVKIAKLQNMTIKAQVSEADIMKVEKGQQVYFTTLGDE-TKRYATLRQIEPAPDSISSESNSTTSSTTSSAVYYNALFDVPNT-DGKLRIDMTAQVYIVLNSAKNALLVPSSALSSKQFSGQRKQQGQSADKASSTPSAERKHQGNGARLERLNLTPEQKQLIEQGKATLSVVRVLQAD-GTTKPTQILVGINNRVNAQVLAGLKQGDQVVIADSSENSAASANSGNNRRRGPMGM 4KKS Chain:A ((23-283)) -------------------------------YRFPVIAMKVKKGILSDYLSLNGDVDTKVKADIFPDAVGKITSLRIKLGAYVQKGQIVATLDPSRPGS--------------------------------------------------------------------------------VYLKSPVRAPISGYILNITKKIGETVNPQS---NIAVVGRIDTKQILTYVSEKYISNIKVGNDAIIEVGAYSNEKFKAKVSEISPILDSK--------------SRTIEVYLTPIGSNLDKLIIGMFSKIKLITKRFKDVIKISREAVVEREG--------------------------------------------------KKFVFKVDLESKSVQMLPITVLFEIDNIVALSGEVEENDLIVVEGMSALSNGSLINL----------

General information: TITO was launched using: RESULT: Template: 4KKS.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 : 1172 -70220 -59.91 -272.17 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -59.91 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.379

(partial model without unconserved sides chains): PDB file : Tito_4KKS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KKS-query.scw PDB file : Tito_Scwrl_4KKS.pdb: