Fig. 7: Flexibility analysis of mortalinR126W-GrpEL1WT and mortalinR126W-GrpEL1Y173A.
A Anisotropic network modeling (ANM) mode 1 of mortalinR126W-GrpEL1WT and mortalinR126W-GrpEL1Y173A describes a lateral motion of the SBD. The SBD plane is colored in beige. B ANM mode 2 of mortalinR126W-GrpEL1Y173A describes a medial motion of the SBD. The SBD plane is colored in beige. Regions colored in blue describe low amounts of motion whereas regions in red describe high amounts of motion. C Analysis of lateral motion in replicate 1 of the mortalinR126W-GrpEL1WT all-atom simulation. The angular plot denotes the angle between vectors v1 and v3 (Supplementary Fig. 14) throughout a 150 ns replicate. The structural snapshot in dark blue represents a representative substate from 78 to 95.9°, in light blue a representative substate from 96 to 105°, and in seafoam green a representative substate from 105.1 to 134°. The percentage of trajectory in each region is annotated on the angular plot. The angle of the initial substate is denoted by a black line on the angular plot. D Analysis of medial motion in replicate 1 of the mortalinR126W-GrpEL1Y173A all-atom simulation. The angular plot denotes the angle between vectors v1 and v2 (Supplementary Fig. 14) throughout a 150 ns replicate. The structural snapshot in yellow represents a representative substate from 74 to 86.9°, in orange a representative substate from 87 to 96°, and in red a representative substate from 96.1 to 114°. The percentage of trajectory in each region is annotated on the angular plot. The angle of the initial substate is denoted by a black line on the angular plot.
