A 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).