3H5G

switching the chirality of the metal environment alters the coordination mode in designed peptides.

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 52
  • Norm. En. per Res.: -2.6248
• Hub Node: A(2)

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	-6.2606	-28.5466	-89.3063	-124.1136	53	9	9	4695	2	21	22
A-C	-14.0777	-16.4474	-105.962	-136.4871	52	7	6	5431	2	21	23
B-C	-12.6138	-23.4689	-85.9294	-122.0121	49	3	8	4474	1	22	24

Interface residues

• A-B: ALA10A, ALA10B, ALA11A, ALA11B, ALA18A, ALA18B, ALA25A, ALA25B, ALA4A, ALA4B, CB9.4715438.76575, GLN17B, GLU13A, GLU13B, GLU1A, GLU1A5, GLU1B, GLU20A, GLU20B, GLU24A, GLU24B, GLU27A, GLU27B, GLU3A, GLU6A, GLU6B, GLY29A, HIS28B, LEU12A, LEU12B, LEU19A, LEU19B, LEU23A, LEU23B, LEU26A, LEU26B, LEU5A, LEU5B, LEU9A, LEU9B, LYS15A, LYS15B, LYS21A, LYS21B, LYS22A, LYS22B, LYS7A, LYS7B, LYS8A, LYS8B, SER14B, TRP2A, TRP2B
• A-C: ALA10A, ALA10C, ALA11A, ALA11C, ALA18A, ALA18C, ALA25A, ALA25C, ALA4A, ALA4C, GLN17A, GLU13A, GLU13C, GLU1C, GLU20A, GLU20C, GLU24A, GLU24C, GLU27A, GLU27C, GLU3A, GLU3C, GLU6A, GLU6C, GLY29A, GLY29C, HIS28A, LEU12A, LEU12C, LEU19A, LEU19C, LEU23A, LEU23C, LEU26A, LEU26C, LEU5A, LEU5C, LEU9A, LEU9C, LYS15A, LYS15C, LYS21A, LYS21C, LYS22A, LYS22C, LYS7A, LYS7C, LYS8A, LYS8C, SER14A, TRP2A, TRP2C
• B-C: ALA10B, ALA10C, ALA11B, ALA11C, ALA18B, ALA18C, ALA25B, ALA25C, ALA4B, GLN17C, GLU13B, GLU13C, GLU1B, GLU1C, GLU20B, GLU20C, GLU24B, GLU24C, GLU27B, GLU27C, GLU3C, GLU6B, GLU6C, GLY29C, HIS28C, LEU12B, LEU12C, LEU19B, LEU19C, LEU23B, LEU23C, LEU26B, LEU26C, LEU5B, LEU5C, LEU9B, LEU9C, LYS15B, LYS15C, LYS21B, LYS21C, LYS22B, LYS22C, LYS7B, LYS8B, LYS8C, SER14C, TRP2B, TRP2C