Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNETIKLVIAGPRGRMGQEAVKLAERTPHFDLVGAIDHTYDQQKLSDVMPVESDAFIYTDIHACFTETQPDVLIDLTTPEIGKVHTKIALEHGVRPVVGTTGFSEADLKELTSLTEEK-GIGAIIAPNFALGAILMMKFSKMAANYFEDVEIIELHHDQKLDAPSGTALKTAEMISEVRKEK-QQGHPDEKE-ILPGARGAEQNGIRLHSVRLPGLIAHQEVMFGMDGQTLQIRHDSYNRASFMSGVKLSVEQVMKIDQLVYGLENIID 5EES Chain:A ((2-245)) -----IKVGVLGAKGRVGQTIVAAVNESDDLELVAEIG-------------VDDDLSLLVDNGA-------EVVVDFTTPNAVMGNLEFCINNGISAVVGTTGFDDARLEQVRDWLEGKDNVGVLIAPNFAISAVLTMVFSKQAARFFESAEVIELHHPNKLDAPSGTAIHTAQGIAAARKEAGMDAQPDATEQALEGSRGASVDGIPVHAVRMSGMVAHEQVIFGTQGQTLTIKQDSYDRNSFAPGVLVGVRNIAQHPGLVVGLEHYL-

General information: TITO was launched using: RESULT: Template: 5EES.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 : 1190 -104436 -87.76 -433.34 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -87.76 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.579

(partial model without unconserved sides chains): PDB file : Tito_5EES.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5EES-query.scw PDB file : Tito_Scwrl_5EES.pdb: