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Fig 1.

1/8th wedge 3D-model of a half sarcomere.

Wedge-shaped sarcomere model with filaments at optimal overlap 2.3 μm length, showing location of Triad, SR, Z-disk, I-band, M-line, and A-band. Panels: a, b, and c, show how the sarcomere would appear in cross section at the three locations, illustrating how myofilament packing varies along the sarcomere: a) slice containing only actin filaments (I-band), b) slice of overlapped myosin and actin filaments (A-band), showing the myosin heads projecting off the filament backbone in pairs and c) slice near middle (M-line) of sarcomere in myosin head bare zone. Thick myosin filaments illustrated in blue, thin actin filaments illustrated in red. Virtual measurement compartments (MC-c0, MC-m0… etc) created to count changes in ion distribution, labelled on surface of compartment where they occur.

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Fig 1 Expand

Table 1.

Fluid volume of measurement compartments.

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Table 1 Expand

Fig 2.

Rate of Ca2+ release.

Release rates used to drive Ca2+ release, through the RYR in the model. The rate was changed every 1/10th of a ms during the simulation.

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Fig 2 Expand

Fig 3.

[Ca2+] transient plots from our model.

The figure is a data plot for a single seed value (seed 10) used in the experiment plotted with line of best fit using a robust local regression using a weighted linear least squares (rloess) smoothing function.

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Fig 3 Expand

Table 2.

Peak [Ca2+] within the individual MCs in the model.

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Table 2 Expand

Fig 4.

Calcium concentration along the sarcomere.

(a) Presents the 5 plots from MCs in the outer radial shell of the sarcomere model. (b) Presents the 5 plots from MCs in the middle radial shell of the sarcomere model. (c) Presents the 5 plots from MCs in the centre radial shell of the sarcomere model. Within the legend all results are sorted according to distance from the RYR’s to centre of each compartment.

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Fig 5.

Percentage of available TnC binding sites bound with Ca2+.

(a) plots from 5 MCs in outer radial compartments. (b) plots from 5 MCs in middle radial compartments. (c) plots from 5 MCs in centre radial compartments. Within the legend all results are sorted according to distance from the RYR’s to centre of each compartment.

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Fig 6.

Model at peak [Ca2+].

Free Ca2+ ions are blue, ATP is yellow, ATP+Ca is green, RYRs are cyan. A single myosin filament (blue) and actin filament (red) are rendered for scale and position. Ions are depicted much larger than scale for visibility, MC-o translucent red, MC-m translucent grey, MC-c translucent green. Same renderings as S1 Video.

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Fig 7.

Fenestrated SR, SERCA activation at peak [Ca2+].

SERCA pumps bound with 2 Ca2+ ions are white, SERCA bound with a single Ca2+ are orange, unbound SERCA are dark orange, RYR release sites are cyan (single myosin and actin rendered for scale).

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Fig 7 Expand

Fig 8.

Model at peak [Ca2+] showing troponin-C binding sites.

TnC bound with 2 Ca2+ ions dark purple, TnC bound with single Ca2+ ion red, TnC unbound pink (Same renderings as used in S2 Video).

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Fig 8 Expand

Table 3.

Proteins and MC size used within the simulation.

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Table 3 Expand

Table 4.

Reactions and rates used in the sarcomere simulation.

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Table 4 Expand