3N27

molecular basis of the inhibition of henipa viruses

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 116
  • Norm. En. per Res.: -3.7284
• 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	-49.164	-4.3885	-378.942	-432.4945	116	8	15	15991	3	33	34
A-C	-38.5637	-1.3885	-372.292	-412.2442	112	6	16	15827	1	31	33
B-C	-37.7223	6.27	-370.914	-402.3663	109	11	14	15476	3	31	34

Interface residues

• A-B: ALA21A, ALA21B, ALA29A, ALA29B, ALA38A, ALA58B, ALA5A, ALA5B, ARG70B, ARG71B, ASN19A, ASN19B, ASN4A, ASN4B, ASN56B, ASN73B, ASN7A, ASN7B, ASN9A, ASN9B, ASP50B, ASP61B, ASP6A, ASP6B, ASP77B, GLN26A, GLN26B, GLN40A, GLN40B, GLN74B, GLU16A, GLU16B, GLU20A, GLU20B, GLU27A, GLU27B, GLU30A, GLU30B, GLU54B, GLU63B, GLU64B, GLU67B, GLY45B, GLY47B, GLY48B, GLY80B, ILE15A, ILE15B, ILE49B, ILE51B, ILE53B, ILE69A, ILE69B, ILE79A, ILE79B, ILE8A, ILE8B, LEU11A, LEU11B, LEU25A, LEU25B, LEU36A, LEU36B, LEU39A, LEU39B, LEU55B, LEU62B, LEU76A, LEU76B, LYS10A, LYS10B, LYS12A, LYS12B, LYS24A, LYS24B, LYS31A, LYS3A, LYS3B, LYS57B, LYS59B, LYS66B, LYS75B, MET2B, SER13A, SER13B, SER14A, SER14B, SER17A, SER43B, SER46B, SER52B, SER60B, SER65A, SER65B, SER72A, SER72B, SER78B, THR18A, THR18B, THR28A, THR28B, THR32A, THR32B, THR37A, THR37B, TRP68B, TYR34A, TYR34B, VAL22A, VAL22B, VAL23A, VAL23B, VAL33A, VAL33B, VAL35A, VAL35B
• A-C: ALA1C, ALA21A, ALA21C, ALA29A, ALA29C, ALA38A, ALA38C, ALA58A, ALA5A, ALA5C, ARG70A, ARG71A, ASN19A, ASN19C, ASN4A, ASN4C, ASN56A, ASN73A, ASN7A, ASN7C, ASN9A, ASN9C, ASP41A, ASP50A, ASP61A, ASP6A, ASP6C, ASP77A, GLN26A, GLN26C, GLN40A, GLN74A, GLU16A, GLU16C, GLU20A, GLU20C, GLU27A, GLU27C, GLU30A, GLU30C, GLU54A, GLU63A, GLU64A, GLU67A, GLY48A, GLY80A, ILE15A, ILE15C, ILE51A, ILE53A, ILE69A, ILE69C, ILE79A, ILE79C, ILE8A, ILE8C, LEU11A, LEU11C, LEU25A, LEU25C, LEU36A, LEU36C, LEU39A, LEU39C, LEU55A, LEU55C, LEU62A, LEU76A, LEU76C, LYS10A, LYS10C, LYS12A, LYS12C, LYS24A, LYS24C, LYS31C, LYS3A, LYS3C, LYS57A, LYS59A, LYS66A, LYS75A, SER13A, SER13C, SER14A, SER14C, SER17C, SER52A, SER60A, SER65A, SER65C, SER72A, SER78A, THR18A, THR18C, THR28A, THR28C, THR32A, THR32C, THR37A, THR37C, TRP68A, TYR34A, TYR34C, VAL22A, VAL22C, VAL23A, VAL23C, VAL33A, VAL33C, VAL35A, VAL35C
• B-C: ALA1C, ALA21B, ALA21C, ALA29B, ALA29C, ALA38B, ALA58C, ALA5B, ALA5C, ARG70C, ARG71C, ASN19B, ASN19C, ASN4B, ASN4C, ASN56C, ASN73C, ASN7B, ASN7C, ASN9B, ASN9C, ASP50C, ASP61C, ASP6B, ASP6C, ASP77C, GLN26B, GLN26C, GLN74C, GLU16B, GLU16C, GLU20B, GLU20C, GLU27B, GLU27C, GLU30B, GLU30C, GLU54C, GLU63C, GLU64C, GLU67C, GLY80C, ILE15B, ILE15C, ILE51C, ILE53C, ILE69B, ILE69C, ILE79B, ILE79C, ILE8B, ILE8C, LEU11B, LEU11C, LEU25B, LEU25C, LEU36B, LEU36C, LEU39B, LEU39C, LEU55B, LEU55C, LEU62C, LEU76B, LEU76C, LYS10B, LYS10C, LYS12B, LYS12C, LYS24B, LYS24C, LYS31B, LYS3B, LYS3C, LYS57C, LYS59C, LYS66C, LYS75C, MET2C, SER13B, SER13C, SER14B, SER14C, SER17B, SER52C, SER60C, SER65B, SER65C, SER72C, SER78C, THR18B, THR18C, THR28B, THR28C, THR32B, THR32C, THR37B, THR37C, TRP68C, TYR34B, TYR42B, VAL22B, VAL22C, VAL23B, VAL23C, VAL33B, VAL33C, VAL35B, VAL35C