2IZQ

gramicidin d complex with ki

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 18
  • Norm. En. per Res.: -7.8153
• 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	-48.9928	0.0	-91.682	-140.6748	18	4	0	2923	0	0	0
A-C	0.0	0.0	-0.0782	-0.0782	8	0	0	42	0	0	0
A-D	0.0	0.0	-0.4363	-0.4363	7	0	0	155	0	0	0
B-C	0.0	0.0	-8.5137	-8.5137	7	0	0	513	0	0	0
B-D	0.0	0.0	-23.8728	-23.8728	6	0	0	687	0	0	0
C-D	-45.2905	0.0	-76.0992	-121.3897	18	1	0	2271	0	0	0

Interface residues

• A-B: ALA3A, ALA3B, ALA5A, ALA5B, GLY2A, GLY2B, TRP11A, TRP11B, TRP13A, TRP13B, TRP15A, TRP15B, TRP9A, TRP9B, TYR11A, TYR11B, VAL7A, VAL7B
• A-C: ALA3A, ALA5C, TRP11A, TRP11C, TRP13A, TRP13C, TYR11A, TYR11C
• A-D: ALA3A, ALA3D, ALA5A, TRP11A, TRP11D, TYR11A, TYR11D
• B-C: ALA3C, ALA5C, TRP11B, TRP11C, TRP9C, TYR11B, TYR11C
• B-D: TRP11B, TRP11D, TRP13B, TRP13D, TYR11B, TYR11D
• C-D: ALA3C, ALA3D, ALA5C, ALA5D, GLY2C, GLY2D, TRP11C, TRP11D, TRP13C, TRP13D, TRP15C, TRP15D, TRP9C, TRP9D, TYR11C, TYR11D, VAL7C, VAL7D