2H95

structure of the amantadine-blocked influenza a m2 proton channel trans-membrane domain by solid-state nmr spectroscopy

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 22
  • Norm. En. per Res.: -0.7932
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	0.0	0.0	-17.4505	-17.4505	22	3	2	1265	0	0	1
A-C	0.0	0.0	-0.0112	-0.0112	6	0	0	10	0	0	0
A-D	0.0	0.0	-17.45	-17.45	22	3	2	1265	0	0	1
B-C	0.0	0.0	-17.4479	-17.4479	22	3	2	1265	0	0	1
B-D	0.0	0.0	-0.0112	-0.0112	6	0	0	10	0	0	0
C-D	0.0	0.0	-17.4506	-17.4506	22	3	2	1265	0	0	1

Interface residues

• A-B: ALA29A, ALA29B, ALA30A, ALA30B, GLY34A, GLY34B, HIS37A, HIS37B, ILE32B, ILE33A, ILE35B, ILE42B, LEU26A, LEU26B, LEU38B, LEU40A, SER31B, TRP41A, TRP41B, VAL27A, VAL27B, VAL28B
• A-C: HIS37A, HIS37C, TRP41A, TRP41C, VAL27A, VAL27C
• A-D: ALA29A, ALA29D, ALA30A, ALA30D, GLY34A, GLY34D, HIS37A, HIS37D, ILE32A, ILE33D, ILE35A, ILE42A, LEU26A, LEU26D, LEU38A, LEU40D, SER31A, TRP41A, TRP41D, VAL27A, VAL27D, VAL28A
• B-C: ALA29B, ALA29C, ALA30B, ALA30C, GLY34B, GLY34C, HIS37B, HIS37C, ILE32C, ILE33B, ILE35C, ILE42C, LEU26B, LEU26C, LEU38C, LEU40B, SER31C, TRP41B, TRP41C, VAL27B, VAL27C, VAL28C
• B-D: HIS37B, HIS37D, TRP41B, TRP41D, VAL27B, VAL27D
• C-D: ALA29C, ALA29D, ALA30C, ALA30D, GLY34C, GLY34D, HIS37C, HIS37D, ILE32D, ILE33C, ILE35D, ILE42D, LEU26C, LEU26D, LEU38D, LEU40C, SER31D, TRP41C, TRP41D, VAL27C, VAL27D, VAL28D