Published
May 1, 2015 //
JGP vol. 145 no. 5 443-456 The Rockefeller University Press, doi:
10.1085/jgp.201411335A combined coarse-grained and all-atom simulation of TRPV1 channel gating and heat activation
Files in this Data Supplement:
- Supplemental Material (PDF)
- Data files (zipped file) -
DataS1.txt: Atomic coordinates of the ICD obtained from five MD trajectories in the C state (10 frames/ trajectory).
DataS2.txt: Atomic coordinates of the ICD obtained from five MD trajectories in the O state (10 frames/ trajectory).
DataS3.txt: Results of residue conservation analysis from the ConSurf server. - Video 1 -
Collective motion described by mode 6 using the same top view and color scheme as in Fig. 1 B. For comparison, the O-state conformation of a representative subunit is also shown (colored in gray). - Video 2 -
Collective motion described by mode 13 using the same top view and color scheme as in Fig. 1 B. For comparison, the O-state conformation of a representative subunit is also shown (colored in gray). - Video 3 -
Predicted transition pathway from C state to O state of TRPV1 in the side view. The same color scheme as in Fig. 1 (A and B). For comparison, the O-state conformation of a representative subunit is also shown (colored in gray). - Video 4 -
Predicted transition pathway from C state to O state of TRPV1 in the top view. The same color scheme as in Fig. 1 (A and B). For comparison, the O-state conformation of a representative subunit is also shown (colored in gray). - Video 5 -
Predicted conformational changes induced by activation of the ICDs of TRPV1 in the side view. The same color scheme as in Fig. 1 (A and B). For comparison, the O-state conformation of a representative subunit is also shown (colored in gray). - Video 6 -
Predicted conformational changes induced by activation of the ICDs of TRPV1 in the top view. The same color scheme as in Fig. 1 (A and B). For comparison, the O-state conformation of a representative subunit is also shown (colored in gray).