3F86

an alpha/beta-peptide helix bundle with a pure beta-amino acid core and a distinctive quaternary structure: gcn4pli derivative with beta residues at a and d heptad positions

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 20
  • Norm. En. per Res.: -4.2793
• Hub Node: C(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	-3.3064	-8.6158	-103.885	-115.8072	42	3	2	3492	4	34	35
A-D	-5.9513	8.3648	-7.5101	-5.0967	18	2	0	684	1	20	20
B-C	0.0	18.6049	-16.5396	2.0653	18	1	0	848	3	19	22
B-E	0.0	0.0	-0.0215	-0.0215	3	0	0	13	0	4	1
B-F	0.0	0.7429	-8.3184	-7.5755	15	0	0	620	0	17	16
C-D	-12.5152	1.1792	-106.554	-117.89	42	2	2	3501	1	34	32
C-E	-23.7777	-34.5745	-27.2332	-85.5854	20	5	0	1172	4	15	12
C-F	-2.3877	-16.7572	-45.4429	-64.5878	19	2	0	1644	2	10	11
E-F	-7.4944	-0.8281	-96.6195	-104.942	42	3	2	3443	2	34	34
E-H	-13.347	4.1193	-11.1584	-20.3861	18	1	0	672	1	20	24
F-G	-6.6519	19.8679	-16.2189	-3.0029	18	2	0	907	1	20	24
G-H	-17.4355	15.0983	-92.8372	-95.1744	42	4	2	3412	1	35	35

Interface residues

• A-B: ALA24A, ALA24B, ARG25A, ARG25B, ASN21A, ASN21B, ASP7A, ASP7B, GLU10A, GLU10B, GLU11A, GLU11B, GLU20A, GLU20B, GLU22A, GLU22B, GLU32A, GLU32B, GLU6A, GLU6B, GLY31A, GLY31B, HIS18A, HIS18B, LEU13A, LEU13B, LEU29A, LEU29B, LYS15A, LYS15B, LYS27A, LYS27B, LYS28A, LYS28B, LYS3A, LYS3B, LYS8A, LYS8B, SER14A, SER14B, TYR17A, TYR17B
• A-D: ARG1A, ARG1D, ARG25A, ARG25D, GLN4A, GLN4D, GLU11A, GLU11D, GLU22A, GLU22D, HIS18A, HIS18D, LEU29A, LEU29D, LYS15A, LYS15D, LYS8A, LYS8D
• B-C: ARG1B, ARG1C, ARG25B, ARG25C, GLN4B, GLN4C, GLU11B, GLU11C, GLU22B, GLU22C, HIS18B, HIS18C, LEU29B, LEU29C, LYS15B, LYS15C, LYS8B, LYS8C
• B-E: GLU22B, HIS18B, LEU13E
• B-F: ALA24F, ARG25F, ASN21B, ASN21F, GLU11B, GLU22B, HIS18B, HIS18F, LYS15B, LYS27F, LYS28F, LYS8B, SER14B, TYR17B, TYR17F
• C-D: ALA24C, ALA24D, ARG25C, ARG25D, ASN21C, ASN21D, ASP7C, ASP7D, GLU10C, GLU10D, GLU11C, GLU11D, GLU20C, GLU20D, GLU22C, GLU22D, GLU32C, GLU32D, GLU6C, GLU6D, GLY31C, GLY31D, HIS18C, HIS18D, LEU13C, LEU13D, LEU29C, LEU29D, LYS15C, LYS15D, LYS27C, LYS27D, LYS28C, LYS28D, LYS3C, LYS3D, LYS8C, LYS8D, SER14C, SER14D, TYR17C, TYR17D
• C-E: ALA24E, ASN21C, ASN21E, ASP7C, GLU10C, GLU10E, GLU11C, GLU20E, GLU6C, HIS18C, HIS18E, LEU13C, LEU13E, LYS15C, LYS27E, LYS8C, SER14C, SER14E, TYR17C, TYR17E
• C-F: ARG25C, ASN21C, ASN21F, ASP7F, GLU10F, GLU11C, GLU11F, GLU20F, GLU22C, GLU6F, HIS18C, HIS18F, LEU13F, LYS15C, LYS15F, SER14C, SER14F, TYR17C, TYR17F
• E-F: ALA24E, ALA24F, ARG25E, ARG25F, ASN21E, ASN21F, ASP7E, ASP7F, GLU10E, GLU10F, GLU11E, GLU11F, GLU20E, GLU20F, GLU22E, GLU22F, GLU32E, GLU32F, GLU6E, GLU6F, GLY31E, GLY31F, HIS18E, HIS18F, LEU13E, LEU13F, LEU29E, LEU29F, LYS15E, LYS15F, LYS27E, LYS27F, LYS28E, LYS28F, LYS3E, LYS3F, LYS8E, LYS8F, SER14E, SER14F, TYR17E, TYR17F
• E-H: ARG1E, ARG1H, ARG25E, ARG25H, GLN4E, GLN4H, GLU11E, GLU11H, GLU22E, GLU22H, HIS18E, HIS18H, LEU29E, LEU29H, LYS15E, LYS15H, LYS8E, LYS8H
• F-G: ARG1F, ARG1G, ARG25F, ARG25G, GLN4F, GLN4G, GLU11F, GLU11G, GLU22F, GLU22G, HIS18F, HIS18G, LEU29F, LEU29G, LYS15F, LYS15G, LYS8F, LYS8G
• G-H: ALA24G, ALA24H, ARG25G, ARG25H, ASN21G, ASN21H, ASP7G, ASP7H, GLU10G, GLU10H, GLU11G, GLU11H, GLU20G, GLU20H, GLU22G, GLU22H, GLU32G, GLU32H, GLU6G, GLU6H, GLY31G, GLY31H, HIS18G, HIS18H, LEU13G, LEU13H, LEU29G, LEU29H, LYS15G, LYS15H, LYS27G, LYS27H, LYS28G, LYS28H, LYS3G, LYS3H, LYS8G, LYS8H, SER14G, SER14H, TYR17G, TYR17H