2ZFC

x-ray crystal structure of an engineered n-terminal hiv-1 gp41 trimer with enhanced stability and potency

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 77
  • Norm. En. per Res.: -2.6301
• 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	-16.4623	-29.3169	-151.212	-196.9912	77	2	17	7500	2	4	6
A-C	-11.9729	-28.9999	-145.032	-186.0048	76	4	17	7338	2	4	5
B-C	-15.5313	-29.2696	-157.72	-202.521	77	4	17	7662	2	4	5

Interface residues

• A-B: ALA19A, ALA19B, ALA22A, ALA22B, ALA26A, ALA26B, ALA29A, ALA29B, ALA39A, ALA39B, ALA43A, ALA43B, ARG18A, ARG18B, ARG40A, ARG40B, ARG46B, ASN14A, ASN14B, ASN15A, GLN12A, GLN12B, GLN13A, GLN13B, GLN24A, GLN24B, GLN28A, GLN28B, GLN36A, GLN36B, GLN38A, GLN38B, GLU21A, GLU21B, GLU45A, GLU45B, GLY33A, GLY33B, GLY8A, HIS25A, HIS25B, ILE16A, ILE16B, ILE48A, ILE48B, LEU17A, LEU17B, LEU20A, LEU20B, LEU30A, LEU30B, LEU37A, LEU37B, LEU42A, LEU42B, LEU44A, LEU44B, LEU9A, LEU9B, LYS35B, LYS49B, THR23A, THR23B, TRP32A, TRP32B, TYR47A, TYR47B, VAL10A, VAL10B, VAL27A, VAL27B, VAL31A, VAL31B, VAL34A, VAL34B, VAL41A, VAL41B
• A-C: ALA19A, ALA19C, ALA22C, ALA26A, ALA26C, ALA29A, ALA29C, ALA39A, ALA39C, ALA43A, ALA43C, ARG18C, ARG40A, ARG40C, ARG46A, ASN14A, ASN14C, ASN15C, GLN11C, GLN12A, GLN12C, GLN13A, GLN13C, GLN24A, GLN24C, GLN28A, GLN28C, GLN36A, GLN36C, GLN38A, GLN38C, GLU21A, GLU21C, GLU45A, GLU45C, GLY33A, GLY33C, HIS25A, HIS25C, ILE16A, ILE16C, ILE48A, ILE48C, LEU17A, LEU17C, LEU20A, LEU20C, LEU30A, LEU30C, LEU37A, LEU37C, LEU42A, LEU42C, LEU44A, LEU44C, LEU9A, LEU9C, LYS35A, LYS35C, LYS49A, THR23A, THR23C, TRP32A, TRP32C, TYR47A, TYR47C, VAL10A, VAL10C, VAL27A, VAL27C, VAL31A, VAL31C, VAL34A, VAL34C, VAL41A, VAL41C
• B-C: ALA19B, ALA19C, ALA22B, ALA22C, ALA26B, ALA26C, ALA29B, ALA29C, ALA39B, ALA39C, ALA43B, ALA43C, ARG18B, ARG18C, ARG40B, ARG40C, ARG46C, ASN14B, ASN14C, ASN15B, GLN11B, GLN12B, GLN12C, GLN13B, GLN13C, GLN24B, GLN24C, GLN28C, GLN36B, GLN36C, GLN38B, GLN38C, GLU21B, GLU21C, GLU45B, GLU45C, GLY33B, GLY33C, GLY8B, HIS25B, HIS25C, ILE16B, ILE16C, ILE48B, ILE48C, LEU17B, LEU17C, LEU20B, LEU20C, LEU30B, LEU30C, LEU37B, LEU37C, LEU42B, LEU42C, LEU44B, LEU44C, LEU9B, LEU9C, LYS35C, LYS49C, THR23B, THR23C, TRP32B, TRP32C, TYR47B, TYR47C, VAL10B, VAL10C, VAL27B, VAL27C, VAL31B, VAL31C, VAL34B, VAL34C, VAL41B, VAL41C