3H5F

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.: 50
  • Norm. En. per Res.: -2.3067
• 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	0.0	-10.9128	-33.5269	-44.4397	51	19	8	4253	0	21	22
A-C	-11.4982	-18.8729	-84.9652	-115.3363	50	3	6	4566	2	22	23
B-C	-7.9115	2.1615	-74.1119	-79.8618	51	29	8	5180	0	22	24

Interface residues

• A-B: ALA10A, ALA10B, ALA11A, ALA11B, ALA18A, ALA25A, ALA25B, ALA4A, ALA4B, CB9.1595459.60807, GLN17B, GLU13A, GLU13B, GLU1A, GLU1A5, GLU20A, GLU20B, GLU24A, GLU24B, GLU27A, GLU27B, GLU3A, GLU3B, GLU6A, GLU6B, GLY29A, HIS28B, LEU12A, LEU12B, LEU19A, LEU19B, LEU23A, LEU23B, LEU26A, LEU26B, LEU5A, LEU5B, LEU9A, LEU9B, LYS15A, LYS15B, LYS21A, LYS22A, LYS22B, LYS7A, LYS7B, LYS8A, LYS8B, SER14B, TRP2A, TRP2B
• A-C: ALA10A, ALA10C, ALA11A, ALA11C, ALA18A, ALA18C, ALA25A, ALA25C, ALA4C, GLN17A, GLU13A, GLU13C, GLU1A, GLU1C, GLU20A, GLU20C, GLU24A, GLU24C, GLU27A, GLU3A, 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, GLU3B, GLU3C, GLU6B, GLU6C, GLY29C, HIS28C, LEU12B, LEU12C, LEU19B, LEU19C, LEU23B, LEU23C, LEU26B, LEU26C, LEU5B, LEU5C, LEU9B, LEU9C, LYS15B, LYS15C, LYS21B, LYS21C, LYS22B, LYS22C, LYS7B, LYS7C, LYS8B, LYS8C, SER14C, TRP2B, TRP2C