Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKVVCIGCGVTIQTEDKTGLGYAPPASLTKENVICQRCFRLKNYNEIQDVSLTDDDFLNILHGIGETDSLVVKIVDIFDFNGSWINGLQRLVGGNPILLVGNKADILPKSLKRERLIQWM----------KREAKELGLKPVDVFLVSAGRGQGIREVIDAIEHYRNGKDVYVVGCTNVGKSTFINRIIKEVSGEEDIITTSQFPGTTLDAIEIPLDDGSSLYDTPGIINNHQMAHYVNKKDLKILSPKKELKPRTFQLNDQQTLYFGGLARFDYVSGERSPFICYMPNELMIHRTKLENADALYEKHAGELLTPPGKDEMDEFPELVAHTFTIKDKKTDIVFSGLGWVTVHDADKKVTAYAPKGVHVFVRRSLI 1F6B Chain:B ((128-196)) ------------------------------------------------------------------------------------------------PILILGNKID-RPEAISEERLREMFGLYGQTTGKGSVSLKELNARPLEVFMCSVLKRQGYGEGFRWMAQY------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1F6B.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 170 -731 -4.30 -12.39 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.55 3D Compatibility (PKB) : -4.30 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.791

(partial model without unconserved sides chains): PDB file : Tito_1F6B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1F6B-query.scw PDB file : Tito_Scwrl_1F6B.pdb: