3KXA

crystal structure of ngo0477 from neisseria gonorrhoeae

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 37
  • Norm. En. per Res.: -6.2163
• Hub Node: A(3)

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	-55.5378	6.2534	-338.393	-387.6774	152	29	12	16302	2	44	39
A-C	-58.9256	7.2154	-139.18	-190.8901	37	15	4	6343	0	0	19
A-D	-31.3692	-70.0496	-82.6594	-184.0782	45	4	0	3153	4	10	8
B-C	-48.3039	-70.1281	-81.4758	-199.9077	47	9	0	3236	4	10	8
B-D	-89.7454	6.9876	-147.246	-230.0038	37	13	4	6133	0	0	19
C-D	-55.4057	5.7004	-348.5	-398.2053	154	24	12	16340	2	44	40

Interface residues

• A-B: ALA122B, ALA28A, ALA28B, ALA29A, ALA29B, ALA44A, ALA44B, ALA48A, ALA48B, ALA49A, ALA49B, ALA50A, ALA50B, ALA53A, ALA53B, ALA57A, ALA57B, ALA60A, ALA60B, ARG125A, ARG125B, ARG126A, ARG126B, ARG36A, ARG36B, ARG41A, ARG41B, ARG47A, ARG47B, ARG51A, ARG51B, ARG69A, ARG69B, ARG92A, ARG92B, ASN24A, ASN24B, ASN95A, ASN95B, ASP46A, ASP46B, CYS17A, CYS17B, CYS8A, CYS8B, GLN76A, GLN76B, GLN87A, GLN87B, GLN98A, GLN98B, GLU124A, GLU124B, GLU128A, GLU128B, GLU131A, GLU30A, GLU30B, GLU33A, GLU33B, GLU63A, GLU63B, GLU94A, GLU94B, GLY61A, GLY61B, GLY62A, GLY62B, HIS31A, HIS31B, HIS5A, HIS5B, ILE15A, ILE15B, ILE21A, ILE21B, ILE32A, ILE32B, ILE52A, ILE52B, ILE56A, ILE56B, ILE6A, ILE6B, ILE93A, ILE93B, LEU58A, LEU68A, LEU68B, LYS16A, LYS16B, LYS19A, LYS19B, LYS55A, LYS55B, LYS59A, LYS59B, LYS7A, LYS7B, LYS97A, LYS97B, PHE123A, PHE123B, PHE65A, PHE65B, PRO20A, PRO20B, PRO23A, PRO23B, PRO27A, PRO27B, PRO2B, PRO86A, PRO86B, PRO88A, PRO88B, SER22A, SER22B, SER67A, SER67B, SER77A, SER77B, SER91A, SER91B, SER96A, SER96B, SER99A, SER99B, THR25A, THR25B, THR26A, THR26B, THR4A, THR4B, THR64A, THR64B, THR75A, THR75B, TYR127A, TYR127B, TYR129A, TYR129B, TYR89A, TYR89B, VAL18A, VAL18B, VAL35A, VAL35B, VAL3A, VAL3B, VAL66A, VAL66B
• A-C: ARG10A, ARG10C, ASN12A, ASN12C, CYS17A, CYS17C, CYS8A, CYS8C, GLN14A, GLN14C, GLN98A, GLN98C, GLY13C, HIS5A, HIS5C, ILE11A, ILE11C, ILE15A, ILE15C, ILE1A, ILE1C, ILE6A, ILE6C, LEU9A, LEU9C, LYS16A, LYS16C, LYS7A, LYS7C, PRO2A, PRO2C, THR4A, THR4C, VAL18A, VAL18C, VAL3A, VAL3C
• A-D: ARG10A, ARG10D, ARG120A, ARG120D, ARG126A, ARG126D, ASN12A, ASN12D, CYS8A, CYS8D, GLN101A, GLN101D, GLN14A, GLN14D, GLN98A, GLN98D, GLU124A, GLU124D, GLU128A, GLU128D, GLU131A, GLY13A, GLY13D, HIS5A, HIS5D, ILE11A, ILE11D, ILE15A, ILE15D, LEU100A, LEU100D, LEU9D, LYS16A, LYS16D, LYS7D, LYS97A, LYS97D, PHE123A, PHE123D, SER99A, SER99D, TYR127A, TYR127D, TYR129A, TYR129D
• B-C: ARG10B, ARG10C, ARG120B, ARG120C, ARG126B, ARG126C, ASN12B, ASN12C, CYS17B, CYS17C, CYS8B, CYS8C, GLN101B, GLN101C, GLN14B, GLN14C, GLN98B, GLN98C, GLU124B, GLU124C, GLU128B, GLU128C, GLU131C, GLY13B, GLY13C, HIS5B, HIS5C, ILE11B, ILE11C, ILE15B, ILE15C, LEU100B, LEU100C, LEU9B, LYS16B, LYS16C, LYS7B, LYS97B, LYS97C, PHE123B, PHE123C, SER99B, SER99C, TYR127B, TYR127C, TYR129B, TYR129C
• B-D: ARG10B, ARG10D, ASN12B, ASN12D, CYS17B, CYS17D, CYS8B, CYS8D, GLN14B, GLN14D, GLN98B, GLN98D, GLY13B, HIS5B, HIS5D, ILE11B, ILE11D, ILE15B, ILE15D, ILE1B, ILE1D, ILE6B, ILE6D, LEU9B, LEU9D, LYS16B, LYS16D, LYS7B, LYS7D, PRO2B, PRO2D, THR4B, THR4D, VAL18B, VAL18D, VAL3B, VAL3D
• C-D: ALA28C, ALA28D, ALA29C, ALA29D, ALA44C, ALA44D, ALA48C, ALA48D, ALA49C, ALA49D, ALA50C, ALA50D, ALA53C, ALA53D, ALA57C, ALA57D, ALA60C, ALA60D, ARG125C, ARG125D, ARG126C, ARG126D, ARG36C, ARG36D, ARG41C, ARG41D, ARG47C, ARG47D, ARG51C, ARG51D, ARG69C, ARG69D, ARG92C, ARG92D, ASN24C, ASN24D, ASN95C, ASN95D, ASP46C, ASP46D, ASP54C, CYS17C, CYS17D, CYS8C, CYS8D, GLN76C, GLN76D, GLN87C, GLN87D, GLN98C, GLN98D, GLU124C, GLU124D, GLU128C, GLU128D, GLU131C, GLU30C, GLU30D, GLU33C, GLU33D, GLU63C, GLU63D, GLU94C, GLU94D, GLY61C, GLY61D, GLY62C, GLY62D, HIS31C, HIS31D, HIS5C, HIS5D, ILE15C, ILE15D, ILE21C, ILE21D, ILE32C, ILE32D, ILE52C, ILE52D, ILE56C, ILE56D, ILE6C, ILE6D, ILE93C, ILE93D, LEU58C, LEU58D, LEU68C, LEU68D, LYS16C, LYS16D, LYS19C, LYS19D, LYS55C, LYS55D, LYS59C, LYS59D, LYS7C, LYS7D, LYS97C, LYS97D, PHE123C, PHE123D, PHE65C, PHE65D, PRO20C, PRO20D, PRO23C, PRO23D, PRO27C, PRO27D, PRO2C, PRO2D, PRO86C, PRO86D, PRO88C, PRO88D, SER22C, SER22D, SER67C, SER67D, SER77C, SER77D, SER91C, SER91D, SER96C, SER96D, SER99C, SER99D, THR25C, THR25D, THR26C, THR26D, THR4C, THR4D, THR64C, THR64D, THR75C, THR75D, TYR127C, TYR127D, TYR129C, TYR129D, TYR89C, TYR89D, VAL18C, VAL18D, VAL35C, VAL35D, VAL3C, VAL3D, VAL66C, VAL66D