3F4Y

hiv gp41 six-helix bundle containing a mutant chr alpha- peptide sequence

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-F
  • Int. Res.: 69
  • Norm. En. per Res.: -3.3869
• Hub Node: A(5)

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	-7.6932	0.0	-147.424	-155.1172	69	6	12	6761	0	1	2
A-C	-2.809	0.0	-165.896	-168.705	68	9	12	7347	0	1	2
A-D	-8.8719	3.4218	-215.348	-220.7981	69	9	13	7937	0	7	6
A-E	0.0	-6.0145	-107.345	-113.3595	60	4	4	4854	1	9	5
A-F	0.0	0.0	-0.0097	-0.0097	6	0	0	9	0	0	0
B-C	-7.3439	0.0	-135.974	-143.3179	70	4	13	6955	0	1	2
B-D	0.0	0.0	-0.0012	-0.0012	4	0	0	3	0	0	0
B-E	-3.8454	6.1311	-198.085	-195.7994	67	9	14	7873	0	7	6
B-F	-5.2353	-7.0981	-103.142	-115.4754	65	17	4	6055	0	8	6
C-D	-8.4914	-3.493	-120.263	-132.2473	62	2	4	5281	1	9	6
C-E	0.0	0.0	-0.0006	-0.0006	4	0	0	2	0	0	0
C-F	-17.443	0.3208	-216.572	-233.6942	69	8	13	8225	0	8	6

Interface residues

• A-B: ALA13A, ALA13B, ALA16A, ALA16B, ALA33A, ARG12A, ARG12B, ARG34A, ARG34B, ASN8A, ASN8B, ASN9A, ASN9B, GLN17A, GLN17B, GLN18A, GLN18B, GLN22A, GLN22B, GLN30A, GLN30B, GLN32A, GLN32B, GLN5A, GLN5B, GLN6A, GLN6B, GLN7A, GLN7B, GLU15A, GLU15B, GLY27A, GLY27B, GLY2A, GLY2B, HIS19A, HIS19B, ILE14A, ILE14B, ILE28A, ILE28B, ILE35A, ILE35B, ILE3A, ILE3B, LEU10A, LEU10B, LEU11A, LEU11B, LEU20A, LEU20B, LEU21A, LEU21B, LEU23A, LEU23B, LEU31A, LEU31B, LEU36A, LYS29A, LYS29B, SER1A, THR24A, THR24B, TRP26A, TRP26B, VAL25A, VAL25B, VAL4A, VAL4B
• A-C: ALA13A, ALA13C, ALA16A, ALA16C, ALA33A, ALA33C, ARG12A, ARG12C, ARG34A, ARG34C, ASN8A, ASN8C, ASN9A, ASN9C, GLN17A, GLN17C, GLN18A, GLN18C, GLN22A, GLN22C, GLN30A, GLN30C, GLN32A, GLN32C, GLN5A, GLN6A, GLN6C, GLN7A, GLN7C, GLU15A, GLU15C, GLY27A, GLY27C, GLY2A, HIS19A, HIS19C, ILE14A, ILE14C, ILE28A, ILE28C, ILE35A, ILE35C, ILE3A, ILE3C, LEU10A, LEU10C, LEU11A, LEU11C, LEU20A, LEU20C, LEU21A, LEU21C, LEU23A, LEU23C, LEU31A, LEU31C, LEU36A, LEU36C, LYS29A, LYS29C, THR24A, THR24C, TRP26A, TRP26C, VAL25A, VAL25C, VAL4A, VAL4C
• A-D: ALA11D, ALA13A, ALA14D, ALA15D, ALA16A, ALA19D, ALA23D, ALA24D, ALA33A, ALA34D, ALA5D, ALA9D, ARG12A, ARG16D, ARG22D, ARG34A, ARG8D, ASN31D, ASN8A, ASN9A, ASP7D, GLN17A, GLN18A, GLN22A, GLN25D, GLN27D, GLN28D, GLN30A, GLN32A, GLN5A, GLN6A, GLN7A, GLU12D, GLU15A, GLU18D, GLU26D, GLU29D, GLU32D, GLU4D, GLY27A, GLY2A, HIS19A, ILE10D, ILE14A, ILE17D, ILE21D, ILE28A, ILE3A, LEU10A, LEU11A, LEU20A, LEU20D, LEU21A, LEU23A, LEU31A, LEU35D, LEU38D, LYS29A, LYS30D, SER1A, THR1D, THR24A, THR2D, TRP26A, TRP3D, TRP6D, TYR13D, VAL25A, VAL4A
• A-E: ALA11E, ALA14E, ALA15E, ALA16A, ALA23E, ALA24E, ALA33E, ALA34E, ARG12A, ARG16E, ARG22E, ARG36E, ARG8E, ASN31E, ASN8A, ASN9A, ASP7E, GLN17A, GLN18A, GLN22A, GLN25E, GLN27E, GLN28E, GLN30A, GLN32A, GLN5A, GLN6A, GLN7A, GLU15A, GLU18E, GLU26E, GLU29E, GLU32E, GLU4E, GLY27A, GLY2A, HIS19A, ILE10E, ILE14A, ILE17E, ILE21E, ILE28A, ILE35A, ILE3A, LEU10A, LEU11A, LEU20E, LEU21A, LEU35E, LYS29A, LYS30E, SER1A, THR24A, THR2E, TRP26A, TRP3E, TRP6E, TYR13E, VAL25A, VAL4A
• A-F: GLN28F, GLN7A, ILE28A, LEU31A, TRP3F, TRP6F
• B-C: ALA13B, ALA13C, ALA16B, ALA16C, ALA33B, ARG12B, ARG12C, ARG34B, ARG34C, ASN8B, ASN8C, ASN9B, ASN9C, GLN17B, GLN17C, GLN18B, GLN18C, GLN22B, GLN22C, GLN30B, GLN30C, GLN32B, GLN32C, GLN5C, GLN6B, GLN6C, GLN7B, GLN7C, GLU15B, GLU15C, GLY27B, GLY27C, GLY2C, HIS19B, HIS19C, HIS1B, ILE14B, ILE14C, ILE28B, ILE28C, ILE35B, ILE35C, ILE3B, ILE3C, LEU10B, LEU10C, LEU11B, LEU11C, LEU20B, LEU20C, LEU21B, LEU21C, LEU23B, LEU23C, LEU31B, LEU31C, LEU36B, LEU36C, LYS29B, LYS29C, SER1B, SER1C, THR24B, THR24C, TRP26B, TRP26C, VAL25B, VAL25C, VAL4B, VAL4C
• B-D: GLN17B, ILE17D, LEU31B, TRP3D
• B-E: ALA11E, ALA13B, ALA14E, ALA15E, ALA16B, ALA19E, ALA23E, ALA24E, ALA34E, ALA5E, ALA9E, ARG12B, ARG16E, ARG34B, ARG8E, ASN31E, ASN8B, ASN9B, ASP7E, GLN17B, GLN18B, GLN22B, GLN25E, GLN27E, GLN28E, GLN30B, GLN32B, GLN5B, GLN6B, GLN7B, GLU12E, GLU15B, GLU18E, GLU26E, GLU29E, GLU32E, GLU4E, GLY27B, GLY2B, HIS19B, ILE10E, ILE14B, ILE17E, ILE21E, ILE28B, ILE3B, LEU10B, LEU11B, LEU20B, LEU20E, LEU21B, LEU23B, LEU31B, LEU35E, LEU38E, LYS29B, LYS30E, SER1B, THR1E, THR24B, THR2E, TRP26B, TRP3E, TRP6E, TYR13E, VAL25B, VAL4B
• B-F: ALA11F, ALA14F, ALA15F, ALA16B, ALA19F, ALA23F, ALA24F, ALA33F, ALA34F, ARG12B, ARG16F, ARG22F, ARG36F, ARG8F, ASN31F, ASN8B, ASN9B, ASP7F, GLN17B, GLN18B, GLN22B, GLN25F, GLN27F, GLN28F, GLN30B, GLN32B, GLN5B, GLN6B, GLN7B, GLU12F, GLU15B, GLU18F, GLU26F, GLU29F, GLU32F, GLU4F, GLY27B, GLY2B, HIS19B, HIS1B, ILE10F, ILE14B, ILE17F, ILE21F, ILE28B, ILE35B, ILE3B, LEU10B, LEU11B, LEU20F, LEU21B, LEU31B, LEU35F, LEU36B, LEU38F, LYS29B, LYS30F, SER1B, THR24B, TRP26B, TRP3F, TRP6F, TYR13F, VAL25B, VAL4B
• C-D: ALA11D, ALA14D, ALA15D, ALA16C, ALA23D, ALA24D, ALA33D, ALA34D, ARG12C, ARG16D, ARG22D, ARG36D, ARG8D, ASN31D, ASN8C, ASN9C, ASP7D, GLN17C, GLN18C, GLN22C, GLN25D, GLN27D, GLN28D, GLN32C, GLN5C, GLN6C, GLN7C, GLU15C, GLU18D, GLU26D, GLU29D, GLU32D, GLU4D, GLY27C, GLY2C, HIS19C, ILE10D, ILE14C, ILE17D, ILE21D, ILE28C, ILE35C, ILE3C, LEU10C, LEU11C, LEU20D, LEU21C, LEU31C, LEU35D, LEU36C, LEU38D, LYS29C, LYS30D, SER1C, THR24C, THR2D, TRP26C, TRP3D, TRP6D, TYR13D, VAL25C, VAL4C
• C-E: GLN28E, GLN7C, ILE28C, TRP6E
• C-F: ALA11F, ALA13C, ALA14F, ALA15F, ALA16C, ALA19F, ALA23F, ALA24F, ALA33C, ALA34F, ALA5F, ALA9F, ARG12C, ARG16F, ARG22F, ARG34C, ARG8F, ASN31F, ASN8C, ASN9C, ASP7F, GLN17C, GLN18C, GLN22C, GLN25F, GLN27F, GLN28F, GLN30C, GLN32C, GLN5C, GLN6C, GLN7C, GLU12F, GLU15C, GLU18F, GLU26F, GLU29F, GLU32F, GLU4F, GLY27C, GLY2C, HIS19C, ILE10F, ILE14C, ILE17F, ILE21F, ILE28C, ILE35C, ILE3C, LEU10C, LEU11C, LEU20C, LEU20F, LEU21C, LEU23C, LEU31C, LEU35F, LYS29C, LYS30F, SER1C, THR1F, THR24C, THR2F, TRP26C, TRP3F, TRP6F, TYR13F, VAL25C, VAL4C