2KQT

solid-state nmr structure of the m2 transmembrane peptide of the influenza a virus in dmpc lipid bilayers bound to deuterated amantadine

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 42
  • Norm. En. per Res.: -2.5652
• 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	-10.2723	-20.8045	-76.6599	-107.7367	42	2	3	3602	2	3	5
A-C	0.0	0.0	-0.1585	-0.1585	10	0	0	61	0	0	1
A-D	-10.2723	-20.8045	-76.6599	-107.7367	42	2	3	3602	2	3	5
B-C	-10.2723	-20.8045	-76.6599	-107.7367	42	2	3	3602	2	3	5
B-D	0.0	0.0	-0.1585	-0.1585	10	0	0	61	0	0	1
C-D	-10.2723	-20.8045	-76.6599	-107.7367	42	2	3	3602	2	3	5

Interface residues

• A-B: ALA29A, ALA29B, ALA30A, ALA30B, ARG45A, ARG45B, ASP24A, ASP24B, ASP44B, GLY34A, GLY34B, HIS37A, HIS37B, ILE32A, ILE32B, ILE33A, ILE33B, ILE35A, ILE39A, ILE39B, ILE42A, ILE42B, LEU26B, LEU36A, LEU36B, LEU38A, LEU38B, LEU40A, LEU40B, LEU43B, PRO25B, SER22A, SER23A, SER23B, SER31A, SER31B, TRP41A, TRP41B, VAL27A, VAL27B, VAL28A, VAL28B
• A-C: ARG45A, ARG45C, HIS37A, HIS37C, LEU38A, LEU38C, TRP41A, TRP41C, VAL27A, VAL27C
• A-D: ALA29A, ALA29D, ALA30A, ALA30D, ARG45A, ARG45D, ASP24A, ASP24D, ASP44A, GLY34A, GLY34D, HIS37A, HIS37D, ILE32A, ILE32D, ILE33A, ILE33D, ILE35D, ILE39A, ILE39D, ILE42A, ILE42D, LEU26A, LEU36A, LEU36D, LEU38A, LEU38D, LEU40A, LEU40D, LEU43A, PRO25A, SER22D, SER23A, SER23D, SER31A, SER31D, TRP41A, TRP41D, VAL27A, VAL27D, VAL28A, VAL28D
• B-C: ALA29B, ALA29C, ALA30B, ALA30C, ARG45B, ARG45C, ASP24B, ASP24C, ASP44C, GLY34B, GLY34C, HIS37B, HIS37C, ILE32B, ILE32C, ILE33B, ILE33C, ILE35B, ILE39B, ILE39C, ILE42B, ILE42C, LEU26C, LEU36B, LEU36C, LEU38B, LEU38C, LEU40B, LEU40C, LEU43C, PRO25C, SER22B, SER23B, SER23C, SER31B, SER31C, TRP41B, TRP41C, VAL27B, VAL27C, VAL28B, VAL28C
• B-D: ARG45B, ARG45D, HIS37B, HIS37D, LEU38B, LEU38D, TRP41B, TRP41D, VAL27B, VAL27D
• C-D: ALA29C, ALA29D, ALA30C, ALA30D, ARG45C, ARG45D, ASP24C, ASP24D, ASP44D, GLY34C, GLY34D, HIS37C, HIS37D, ILE32C, ILE32D, ILE33C, ILE33D, ILE35C, ILE39C, ILE39D, ILE42C, ILE42D, LEU26D, LEU36C, LEU36D, LEU38C, LEU38D, LEU40C, LEU40D, LEU43D, PRO25D, SER22C, SER23C, SER23D, SER31C, SER31D, TRP41C, TRP41D, VAL27C, VAL27D, VAL28C, VAL28D