3PBJ

hydrolytic catalysis and structural stabilization in a designed metalloprotein

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 47
  • Norm. En. per Res.: -2.8803
• 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	2.6706	-80.6722	-78.0016	47	5	4	3692	0	25	23
A-C	0.0	1.781	-78.3736	-76.5926	46	5	4	4150	0	26	23
A-E	0.0	0.0	-0.0163	-0.0163	5	0	0	13	0	2	4
B-C	-4.9898	-4.2541	-119.713	-128.957	49	6	6	4852	1	28	28
B-E	0.0	0.0	-15.2516	-15.2516	19	0	0	665	0	18	19
D-E	0.0	-15.4458	-92.6704	-108.1162	47	4	6	4390	2	25	25
D-F	-5.6556	3.3733	-97.5794	-99.8617	43	8	4	4324	3	25	22
E-F	-12.6787	-2.8007	-119.897	-135.3764	47	6	5	4473	4	25	28

Interface residues

• A-B: ALA10B, ALA11A, ALA11B, ALA18A, ALA18B, ALA25A, ALA4A, CB9.3379838.92188, GLN17A, GLN17B, GLU13A, GLU13B, GLU1A, GLU1A5, GLU20A, GLU20B, GLU24A, GLU24B, GLU27B, GLU3A, GLU6A, GLU6B, HIS23A, HIS23B, LEU12A, LEU12B, LEU16A, LEU16B, LEU19A, LEU19B, LEU26A, LEU26B, LEU5A, LEU5B, LYS15A, LYS15B, LYS21A, LYS21B, LYS22A, LYS22B, LYS7B, LYS8A, LYS8B, SER14A, SER14B, TRP2A, TRP2B
• A-C: ALA10A, ALA11A, ALA11C, ALA18A, ALA18C, ALA25C, ALA4C, GLN17A, GLN17C, GLU13A, GLU13C, GLU1A, GLU1C, GLU20A, GLU20C, GLU24A, GLU24C, GLU27A, GLU3C, GLU6A, GLU6C, HIS23A, HIS23C, LEU12A, LEU12C, LEU16A, LEU16C, LEU19A, LEU19C, LEU26A, LEU26C, LEU5A, LEU5C, LYS15A, LYS15C, LYS21A, LYS21C, LYS22A, LYS22C, LYS7A, LYS8A, LYS8C, SER14A, SER14C, TRP2A, TRP2C
• A-E: GLY29E, HIS28E, LEU19A, LYS15A, LYS22A
• B-C: ALA10C, ALA11B, ALA11C, ALA18B, ALA18C, ALA25B, ALA25C, ALA4B, GLN17B, GLN17C, GLU13B, GLU13C, GLU1B, GLU1C, GLU20B, GLU20C, GLU24B, GLU24C, GLU27B, GLU27C, GLU3B, GLU3C, GLU6B, GLU6C, HIS23B, HIS23C, LEU12B, LEU12C, LEU16B, LEU16C, LEU19B, LEU19C, LEU26B, LEU26C, LEU5B, LEU5C, LYS15B, LYS15C, LYS21B, LYS21C, LYS22B, LYS22C, LYS7C, LYS8B, LYS8C, SER14B, SER14C, TRP2B, TRP2C
• B-E: ALA18E, ALA25B, ALA25E, GLN17E, GLU20B, GLU20E, GLU24B, GLU24E, GLU27B, GLU27E, GLY29E, HIS23B, HIS23E, HIS28B, HIS28E, LEU26E, LYS21B, LYS21E, LYS22E
• D-E: ALA10E, ALA11D, ALA11E, ALA18D, ALA18E, ALA25D, ALA4D, GLN17D, GLN17E, GLU13D, GLU13E, GLU1D, GLU1E, GLU20D, GLU20E, GLU24D, GLU24E, GLU27E, GLU3D, GLU3E, GLU6D, GLU6E, HIS23D, HIS23E, LEU12D, LEU12E, LEU16D, LEU16E, LEU19D, LEU19E, LEU26D, LEU26E, LEU5D, LEU5E, LYS15D, LYS15E, LYS21D, LYS21E, LYS22D, LYS22E, LYS7E, LYS8D, LYS8E, SER14D, SER14E, TRP2D, TRP2E
• D-F: ALA10D, ALA11D, ALA11F, ALA18D, ALA18F, ALA25F, ALA4F, GLN17D, GLN17F, GLU13D, GLU13F, GLU1F, GLU20D, GLU20F, GLU24D, GLU24F, GLU27D, GLU6D, HIS23D, HIS23F, HIS28D, LEU12D, LEU12F, LEU16D, LEU16F, LEU19D, LEU19F, LEU26D, LEU26F, LEU5D, LEU5F, LYS15D, LYS15F, LYS21D, LYS21F, LYS22D, LYS22F, LYS8D, LYS8F, SER14D, SER14F, TRP2D, TRP2F
• E-F: ALA10F, ALA11E, ALA11F, ALA18E, ALA18F, ALA25E, ALA4E, ALA4F, GLN17E, GLN17F, GLU13E, GLU13F, GLU1E, GLU1F, GLU20E, GLU20F, GLU24E, GLU24F, GLU3E, GLU3F, GLU6E, GLU6F, HIS23E, HIS23F, LEU12E, LEU12F, LEU16E, LEU16F, LEU19E, LEU19F, LEU26E, LEU26F, LEU5E, LEU5F, LYS15E, LYS15F, LYS21E, LYS21F, LYS22E, LYS22F, LYS7F, LYS8E, LYS8F, SER14E, SER14F, TRP2E, TRP2F