3G9R

structure of the hiv-1 gp41 membrane-proximal ectodomain region in a putative prefusion conformation

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 67
  • Norm. En. per Res.: -3.6701
• Hub Node: A(4)

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	-10.5791	-46.9748	-167.201	-224.7549	72	4	8	7650	2	25	31
A-C	-13.5098	-42.9448	-165.029	-221.4836	69	11	8	7419	3	21	28
A-E	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	2
A-F	0.0	0.0	-14.8727	-14.8727	30	0	0	980	0	4	6
B-C	-28.0737	-49.0174	-171.94	-249.031	68	13	6	8069	5	21	29
B-E	-8.4996	-18.383	-55.4979	-82.3805	38	1	1	2218	2	7	10
B-F	0.0	0.0	-30.4444	-30.4444	34	1	0	1205	0	7	16
D-E	-17.4602	-40.5483	-161.951	-219.9594	68	18	6	7565	2	22	29
D-F	-11.4017	-53.8516	-180.646	-245.8993	67	4	7	7740	5	24	31
E-F	-14.1348	-38.5556	-146.558	-199.2484	67	6	7	7025	2	24	31

Interface residues

• A-B: ALA6A, ALA6B, ARG32A, ARG32B, ARG39A, ASN10A, ASN10B, ASN13A, ASN13B, ASN16A, ASN16B, ASN35B, ASP3A, ASP3B, CB9.00258-5.77609, GLU1A, GLU1A5, GLU24B, GLU25A, GLU25B, GLU34A, GLU34B, GLU36A, ILE14B, ILE21B, ILE23A, ILE23B, ILE30A, ILE30B, ILE33A, ILE33B, ILE37A, ILE37B, ILE40A, ILE40B, LEU18A, LEU18B, LEU26A, LEU26B, LEU8A, LEU8B, LYS22A, LYS22B, LYS27A, LYS27B, LYS29A, LYS29B, LYS31A, LYS31B, LYS38B, LYS41B, LYS4A, LYS4B, PHE12A, PHE12B, SER28A, SER28B, SER7A, SER7B, THR15A, THR15B, TRP11A, TRP11B, TRP17B, TRP19A, TRP19B, TRP5A, TRP5B, TRP9A, TRP9B, TYR20A, TYR20B
• A-C: ALA6A, ALA6C, ARG32A, ARG32C, ARG39C, ASN10A, ASN13A, ASN13C, ASN16A, ASN16C, ASN35A, ASP3A, ASP3C, CB8.99256-31.57297, GLU1A, GLU1A5, GLU24A, GLU25A, GLU25C, GLU34A, GLU34C, GLU36C, ILE14C, ILE21A, ILE23A, ILE23C, ILE30A, ILE30C, ILE33A, ILE33C, ILE37A, ILE37C, ILE40A, ILE40C, LEU26A, LEU26C, LEU2A, LEU8A, LEU8C, LYS22A, LYS22C, LYS27A, LYS27C, LYS29A, LYS29C, LYS31A, LYS31C, LYS38A, LYS41A, LYS4A, LYS4C, PHE12A, PHE12C, SER28A, SER28C, SER7A, SER7C, THR15A, THR15C, TRP11A, TRP11C, TRP17A, TRP19A, TRP19C, TRP5A, TRP5C, TRP9A, TRP9C, TYR20A
• A-E: LYS22A, LYS22E
• A-F: ALA6F, ARG32A, ASN10A, ASN10F, ASN13F, ASN16F, ASP3A, ASP3F, GLU24F, ILE14A, ILE21A, ILE21F, LEU18A, LEU2F, LEU8A, LYS22A, LYS27F, LYS29A, LYS31F, LYS4A, SER28F, SER7A, SER7F, THR15A, TRP11A, TRP17A, TRP17F, TRP19A, TRP9F, TYR20F
• B-C: ALA6B, ALA6C, ARG32B, ARG32C, ARG39B, ASN10C, ASN13B, ASN13C, ASN16B, ASN16C, ASN35C, ASP3C, GLU24B, GLU24C, GLU25B, GLU25C, GLU34B, GLU34C, GLU36B, ILE14B, ILE21B, ILE21C, ILE23B, ILE23C, ILE30B, ILE30C, ILE33B, ILE33C, ILE37B, ILE37C, ILE40B, ILE40C, LEU18B, LEU18C, LEU26B, LEU26C, LEU8B, LEU8C, LYS22B, LYS22C, LYS27B, LYS27C, LYS29B, LYS29C, LYS31B, LYS31C, LYS38C, LYS41C, LYS4B, LYS4C, PHE12B, PHE12C, SER28B, SER28C, SER7B, SER7C, THR15B, THR15C, TRP11B, TRP11C, TRP17C, TRP19B, TRP19C, TRP5B, TRP5C, TRP9B, TRP9C, TYR20C
• B-E: ALA6B, ARG32B, ARG32E, ASN10B, ASN10E, ASN13B, ASN16B, ASN35B, ASP3B, ASP3E, GLU24B, GLU25E, ILE14B, ILE14E, ILE21B, ILE21E, ILE23B, LEU18B, LEU18E, LEU8E, LYS22E, LYS27B, LYS29E, LYS31B, LYS4E, PHE12B, SER28B, SER7E, THR15B, THR15E, TRP11B, TRP11E, TRP17B, TRP17E, TRP19E, TRP5B, TRP9B, TYR20B
• B-F: ALA6B, ALA6F, ASN10B, ASN10F, ASN13B, ASN13F, ASN16B, ASN16F, ASN35B, ASN35F, ASP3B, ASP3F, GLU24B, GLU24F, GLU34B, GLU34F, ILE14F, LEU8F, LYS27B, LYS27F, LYS31B, LYS31F, LYS38B, LYS38F, LYS41F, LYS42B, PHE12F, SER7F, TRP5B, TRP5F, TRP9B, TRP9F, TYR20B, TYR20F
• D-E: ALA6D, ALA6E, ARG32D, ARG32E, ARG39D, ASN10D, ASN10E, ASN13D, ASN13E, ASN16D, ASN16E, ASN35E, ASP3D, ASP3E, GLU24E, GLU25D, GLU25E, GLU34D, GLU34E, GLU36D, ILE14D, ILE21E, ILE23D, ILE23E, ILE30D, ILE30E, ILE33D, ILE33E, ILE37D, ILE37E, ILE40D, ILE40E, LEU18D, LEU18E, LEU26D, LEU26E, LEU8D, LEU8E, LYS22D, LYS22E, LYS27D, LYS27E, LYS29D, LYS29E, LYS31D, LYS31E, LYS38E, LYS41E, LYS4D, LYS4E, PHE12D, PHE12E, SER28D, SER28E, SER7D, SER7E, THR15D, THR15E, TRP11D, TRP11E, TRP17E, TRP19D, TRP19E, TRP5D, TRP5E, TRP9D, TRP9E, TYR20E
• D-F: ALA6D, ARG32D, ARG32F, ARG39F, ASN10D, ASN10F, ASN13D, ASN13F, ASN16D, ASN16F, ASN35D, ASP3D, ASP3F, GLU24D, GLU25D, GLU25F, GLU34D, GLU34F, GLU36F, ILE14D, ILE21D, ILE23D, ILE23F, ILE30D, ILE30F, ILE33D, ILE33F, ILE37D, ILE37F, ILE40D, ILE40F, LEU18D, LEU18F, LEU26D, LEU26F, LEU8D, LEU8F, LYS22D, LYS22F, LYS27D, LYS27F, LYS29D, LYS29F, LYS31D, LYS31F, LYS38D, LYS41D, LYS4D, LYS4F, PHE12D, PHE12F, SER28D, SER28F, SER7D, SER7F, THR15D, THR15F, TRP11D, TRP11F, TRP17D, TRP19D, TRP19F, TRP5D, TRP5F, TRP9D, TRP9F, TYR20D
• E-F: ALA6E, ALA6F, ARG32E, ARG32F, ARG39E, ASN10E, ASN10F, ASN13E, ASN13F, ASN16E, ASN16F, ASN35F, ASP3F, GLU24F, GLU25E, GLU25F, GLU34E, GLU34F, GLU36E, ILE14E, ILE21F, ILE23E, ILE23F, ILE30E, ILE30F, ILE33E, ILE33F, ILE37E, ILE37F, ILE40E, ILE40F, LEU18E, LEU18F, LEU26E, LEU26F, LEU8E, LEU8F, LYS22E, LYS22F, LYS27E, LYS27F, LYS29E, LYS29F, LYS31E, LYS31F, LYS38F, LYS41F, LYS4E, LYS4F, PHE12E, PHE12F, SER28E, SER28F, SER7E, SER7F, THR15E, THR15F, TRP11E, TRP11F, TRP17F, TRP19E, TRP19F, TRP5E, TRP5F, TRP9E, TRP9F, TYR20F