3Q4H

crystal structure of the mycobacterium smegmatis esxgh complex (msmeg_0620-msmeg_0621)

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 135
  • Norm. En. per Res.: -3.3266
• 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	-26.9879	-39.7411	-382.364	-449.093	135	11	22	15163	5	16	22
A-C	-49.2499	-30.2245	-301.955	-381.4294	131	15	21	12572	4	14	21
C-D	-28.1316	-10.7753	-377.316	-416.2229	131	16	22	15264	2	15	20

Interface residues

• A-B: ALA10B, ALA13A, ALA13B, ALA15B, ALA16A, ALA20A, ALA22A, ALA23A, ALA24B, ALA27B, ALA30A, ALA30B, ALA32A, ALA33B, ALA34B, ALA35A, ALA36A, ALA38B, ALA40B, ALA41A, ALA42B, ALA47A, ALA49A, ALA50A, ALA53A, ALA53B, ALA54A, ALA56A, ALA56B, ALA61B, ALA63A, ALA67A, ALA68B, ALA71B, ALA72A, ALA73B, ALA80A, ALA82B, ARG26A, ARG57A, ARG67B, ARG70B, ASN17A, ASN19B, ASN59B, ASN66A, ASN75A, ASN79B, ASN7B, ASP31B, ASP46B, ASP70A, GLN10A, GLN31A, GLN34A, GLN36B, GLN40A, GLN44B, GLN52A, GLN55B, GLN57B, GLN60B, GLN73A, GLN78B, GLU15A, GLU17B, GLU33A, GLU35B, GLU46A, GLU60A, GLU63B, GLU64B, GLU77B, GLY19A, GLY23B, GLY29B, GLY45B, GLY48B, GLY77A, HIS14B, HIS26B, HIS37B, HIS43A, HIS55A, HIS76B, HIS7A, ILE29A, ILE32B, ILE71A, ILE76A, LEU11A, LEU12B, LEU24A, LEU25B, LEU39B, LEU65B, LEU68A, LEU69A, LEU74A, LYS21A, LYS64A, PHE18A, PHE42A, PHE51A, PHE58A, PRO9B, SER14A, SER22B, SER27A, SER38A, SER39A, SER41B, SER48A, SER62A, THR20B, THR28A, THR47B, THR50B, THR74B, THR75B, THR80B, TRP43B, TRP54B, TRP58B, TYR21B, TYR51B, TYR69B, TYR83A, TYR8B, VAL28B, VAL59A, VAL61A, VAL65A, VAL66B, VAL84A
• A-C: ALA13A, ALA13C, ALA16A, ALA16C, ALA20A, ALA20C, ALA22A, ALA22C, ALA23A, ALA23C, ALA30A, ALA30C, ALA32A, ALA32C, ALA35A, ALA35C, ALA36A, ALA56A, ALA56C, ALA63A, ALA63C, ALA67A, ALA67C, ALA6A, ALA6C, ALA79A, ALA79C, ALA80A, ALA80C, ALA85A, ALA85C, ALA88A, ALA88C, ALA89A, ALA89C, ALA90A, ALA90C, ALA91A, ALA91C, ARG26A, ARG26C, ARG57C, ASN17A, ASN17C, ASN66A, ASN66C, ASP5A, ASP5C, ASP70A, ASP70C, ASP78A, ASP78C, ASP87A, ASP87C, GLN10A, GLN10C, GLN31A, GLN31C, GLN34A, GLN34C, GLN73A, GLN73C, GLN86A, GLN86C, GLU15A, GLU15C, GLU33A, GLU33C, GLU60A, GLU60C, GLY19A, GLY19C, GLY77A, GLY77C, HIS55A, HIS55C, HIS7A, HIS7C, ILE12A, ILE12C, ILE29A, ILE29C, ILE71A, ILE71C, ILE8A, ILE8C, LEU11A, LEU11C, LEU24A, LEU24C, LEU68A, LEU68C, LEU69A, LEU69C, LEU74A, LEU74C, LYS21A, LYS21C, LYS64A, LYS64C, PHE18A, PHE18C, PHE58A, PHE58C, PRO9A, PRO9C, SER14A, SER14C, SER27A, SER27C, SER38A, SER38C, SER62A, SER62C, SER81A, SER81C, SER82A, SER82C, SER92A, THR28A, THR28C, THR93A, TYR83A, TYR83C, VAL59A, VAL59C, VAL61A, VAL61C, VAL65A, VAL65C, VAL84C
• C-D: ALA13C, ALA15D, ALA16C, ALA20C, ALA22C, ALA23C, ALA24D, ALA27D, ALA30C, ALA30D, ALA32C, ALA33D, ALA34D, ALA35C, ALA36C, ALA38D, ALA40D, ALA41C, ALA42D, ALA47C, ALA49C, ALA50C, ALA53C, ALA53D, ALA54C, ALA56C, ALA56D, ALA61D, ALA63C, ALA67C, ALA68D, ALA71D, ALA72C, ALA73D, ALA80C, ARG26C, ARG57C, ARG67D, ARG70D, ASN17C, ASN19D, ASN59D, ASN66C, ASN75C, ASN79D, ASN7D, ASP31D, ASP46D, ASP70C, GLN10C, GLN31C, GLN34C, GLN36D, GLN40C, GLN44D, GLN52C, GLN55D, GLN57D, GLN60D, GLN73C, GLN78D, GLU15C, GLU17D, GLU33C, GLU35D, GLU46C, GLU60C, GLU63D, GLU64D, GLU77D, GLY19C, GLY23D, GLY29D, GLY45D, GLY48D, GLY77C, HIS14D, HIS26D, HIS37D, HIS43C, HIS55C, HIS76D, HIS7C, ILE12C, ILE29C, ILE32D, ILE4D, ILE71C, ILE76C, LEU11C, LEU24C, LEU25D, LEU39D, LEU65D, LEU68C, LEU69C, LEU74C, LYS21C, LYS64C, PHE18C, PHE42C, PHE51C, PHE58C, SER14C, SER22D, SER27C, SER38C, SER39C, SER41D, SER48C, SER62C, SER81C, THR20D, THR28C, THR47D, THR50D, THR74D, THR75D, THR80D, TRP43D, TRP54D, TRP58D, TYR21D, TYR51D, TYR69D, VAL28D, VAL59C, VAL61C, VAL65C, VAL66D, VAL84C