3QDL

crystal structure of rdxa from helicobacter pyroli

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 245
  • Norm. En. per Res.: -5.2072
• 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	-226.1045	-52.2925	-943.243	-1221.6399	249	42	29	36583	5	66	57
A-C	0.0	-6.067	-149.859	-155.926	46	3	4	6400	0	4	3
A-D	0.0	-30.5582	-60.4174	-90.9756	40	1	0	2811	1	12	9
B-C	-17.7735	-19.7756	-68.8914	-106.4405	47	3	0	3219	1	13	10
B-D	0.0	0.0	-5.6529	-5.6529	13	0	0	398	0	0	0
C-D	-278.6797	-63.8658	-933.214	-1275.7595	245	41	31	37040	4	63	53

Interface residues

• A-B: ALA143A, ALA143B, ALA183A, ALA183B, ALA193B, ALA195B, ALA206A, ALA206B, ALA37A, ALA37B, ALA40A, ALA40B, ALA82A, ALA82B, ARG10A, ARG10B, ARG131A, ARG16A, ARG16B, ARG176A, ARG176B, ARG191A, ARG191B, ARG200A, ARG200B, ARG41A, ARG41B, ARG9A, ARG9B, ASN14A, ASN14B, ASN178A, ASN178B, ASN48A, ASN48B, ASN73A, ASN73B, ASP157B, ASP205A, ASP205B, ASP59A, ASP59B, ASP5A, ASP5B, CYS140A, CYS140B, CYS148A, CYS148B, CYS159A, CYS159B, CYS184A, CYS184B, CYS87A, CYS87B, GLN11A, GLN11B, GLN130A, GLN139A, GLN139B, GLN146A, GLN146B, GLN197A, GLN197B, GLN50A, GLN50B, GLN6A, GLN6B, GLU133A, GLU138A, GLU138B, GLU15A, GLU15B, GLU175B, GLU194B, GLU32A, GLU32B, GLU34A, GLU34B, GLU35A, GLU35B, GLU38A, GLU38B, GLU7A, GLU7B, GLU93A, GLY145A, GLY145B, GLY150A, GLY150B, GLY155A, GLY155B, GLY162A, GLY162B, GLY163A, GLY163B, HIS17A, HIS17B, HIS53A, HIS53B, ILE136B, ILE142A, ILE142B, ILE147A, ILE147B, ILE160A, ILE160B, ILE161A, ILE161B, ILE177A, ILE177B, ILE182A, ILE186A, ILE186B, ILE207A, ILE207B, ILE36A, ILE36B, ILE39A, ILE39B, ILE66A, ILE66B, LEU12A, LEU12B, LEU137A, LEU137B, LEU13A, LEU13B, LEU153A, LEU153B, LEU156A, LEU156B, LEU173A, LEU173B, LEU210A, LEU210B, LEU33A, LEU33B, LEU42A, LEU42B, LEU4A, LEU4B, LEU62A, LEU62B, LEU83A, LEU83B, LEU89A, LEU89B, LEU94A, LYS181B, LYS190A, LYS190B, LYS198A, LYS198B, LYS201A, LYS201B, LYS203A, LYS203B, LYS20A, LYS20B, LYS2A, LYS2B, LYS60A, LYS60B, LYS63A, LYS63B, LYS8A, LYS8B, MET129A, MET149A, MET149B, MET154A, MET154B, MET1A, MET1B, MET56A, MET56B, MET84A, MET84B, PHE164A, PHE164B, PHE28A, PHE28B, PHE3A, PHE3B, PHE54A, PHE54B, PHE72A, PHE72B, PRO44A, PRO44B, PRO51A, PRO51B, SER134A, SER134B, SER152A, SER152B, SER158A, SER158B, SER18A, SER18B, SER199A, SER199B, SER202A, SER202B, SER29A, SER29B, SER30A, SER30B, SER43A, SER43B, SER45A, SER45B, SER46A, SER46B, SER88B, THR208A, THR208B, THR31A, THR31B, THR49A, THR49B, THR58A, THR58B, TRP209A, TRP209B, TRP52A, TRP52B, TYR135A, TYR135B, TYR141A, TYR141B, TYR26B, TYR47A, TYR47B, TYR71B, VAL144A, VAL144B, VAL151A, VAL151B, VAL172A, VAL172B, VAL204A, VAL204B, VAL55A, VAL55B, VAL57A, VAL57B, VAL85A, VAL85B
• A-C: ARG131A, ARG131C, ARG90A, ARG90C, ASN48A, ASN48C, GLN130A, GLN130C, GLN139A, GLN139C, GLU133A, GLU133C, GLU138A, GLU138C, GLU93A, GLU93C, ILE136A, ILE136C, LEU132A, LEU132C, LEU137A, LEU137C, LEU94A, LEU94C, LEU95A, LEU95C, MET129A, MET129C, PRO51A, PRO51C, PRO91A, PRO91C, PRO96A, PRO96C, SER134A, SER134C, SER46A, SER46C, SER92A, SER92C, THR49A, THR49C, TYR135A, TYR135C, TYR47A, TYR47C
• A-D: ALA183D, ALA68D, ARG131A, ARG90A, ASN73D, ASP165D, CYS184D, GLN130A, GLU133A, GLU138D, GLU171D, GLY162D, GLY163D, GLY170D, HIS69D, ILE161D, ILE182D, LEU137D, LEU167A, LEU167D, LEU185D, LYS168D, LYS179A, LYS181A, LYS181D, MET129A, PHE164D, PHE72D, PRO166A, PRO166D, PRO180A, PRO180D, PRO91A, SER134A, SER70D, SER88D, SER92A, TYR135D, TYR141D, TYR71D
• B-C: ALA183B, ALA68B, ARG131C, ARG90C, ASN73B, ASP165B, ASP165C, CYS184B, GLN130C, GLU133C, GLU138B, GLU171B, GLU174B, GLU74B, GLY162B, GLY163B, GLY170B, HIS69B, ILE160B, ILE161B, ILE182B, LEU132C, LEU137B, LEU167B, LEU167C, LEU185B, LYS168B, LYS168C, LYS179C, LYS181B, LYS181C, MET129C, PHE164B, PHE72B, PRO166B, PRO166C, PRO180B, PRO180C, PRO91C, SER134C, SER70B, SER88B, SER92C, TYR135B, TYR141B, TYR71B, VAL169B
• B-D: GLY170D, LEU137B, LEU137D, LEU167B, LEU167D, LYS181B, LYS181D, PRO166D, PRO180D, SER134B, SER134D, TYR135B, TYR135D
• C-D: ALA143C, ALA143D, ALA183C, ALA183D, ALA206C, ALA206D, ALA37C, ALA37D, ALA40C, ALA40D, ALA82C, ALA82D, ARG10C, ARG10D, ARG131C, ARG16C, ARG16D, ARG176C, ARG176D, ARG191C, ARG191D, ARG200C, ARG200D, ARG41C, ARG41D, ARG9C, ARG9D, ASN14C, ASN14D, ASN178C, ASN178D, ASN48C, ASN48D, ASN73D, ASP157C, ASP157D, ASP205C, ASP205D, ASP59C, ASP59D, ASP5C, ASP5D, CYS140C, CYS140D, CYS148C, CYS148D, CYS159C, CYS159D, CYS184C, CYS184D, CYS87C, CYS87D, GLN11C, GLN11D, GLN139C, GLN139D, GLN146C, GLN146D, GLN50C, GLN50D, GLN6C, GLN6D, GLU133C, GLU138C, GLU138D, GLU15C, GLU15D, GLU174D, GLU175D, GLU32C, GLU32D, GLU34C, GLU34D, GLU35C, GLU35D, GLU38C, GLU38D, GLU7C, GLU7D, GLU93C, GLY145C, GLY145D, GLY150C, GLY150D, GLY155C, GLY155D, GLY162C, GLY162D, GLY163C, GLY163D, HIS17C, HIS17D, HIS53C, HIS53D, ILE136D, ILE142C, ILE142D, ILE147C, ILE147D, ILE160C, ILE160D, ILE161C, ILE161D, ILE177C, ILE177D, ILE182C, ILE186C, ILE207C, ILE207D, ILE36C, ILE36D, ILE39C, ILE39D, ILE66C, ILE66D, LEU12C, LEU12D, LEU137C, LEU137D, LEU13C, LEU13D, LEU153C, LEU153D, LEU156C, LEU156D, LEU173C, LEU173D, LEU210C, LEU210D, LEU33C, LEU33D, LEU42C, LEU42D, LEU4C, LEU4D, LEU62C, LEU62D, LEU83C, LEU83D, LEU89C, LEU89D, LYS181C, LYS181D, LYS190C, LYS190D, LYS198C, LYS198D, LYS201C, LYS201D, LYS203C, LYS203D, LYS20C, LYS20D, LYS2C, LYS2D, LYS60C, LYS60D, LYS63C, LYS63D, LYS8C, LYS8D, MET129C, MET149C, MET149D, MET154C, MET154D, MET1C, MET1D, MET56C, MET56D, MET84C, MET84D, PHE164C, PHE164D, PHE28C, PHE28D, PHE3C, PHE3D, PHE54C, PHE54D, PHE72C, PHE72D, PRO166C, PRO44C, PRO44D, PRO51C, PRO51D, SER134C, SER134D, SER152C, SER152D, SER158C, SER158D, SER18C, SER18D, SER199C, SER199D, SER202C, SER202D, SER29C, SER29D, SER30C, SER30D, SER43C, SER43D, SER45C, SER45D, SER46C, SER46D, SER88C, THR208C, THR208D, THR31C, THR31D, THR49C, THR49D, THR58C, THR58D, TRP209C, TRP209D, TRP52C, TRP52D, TYR135C, TYR135D, TYR141C, TYR141D, TYR26C, TYR47C, TYR47D, VAL144C, VAL144D, VAL151C, VAL151D, VAL172C, VAL172D, VAL204C, VAL204D, VAL55C, VAL55D, VAL57C, VAL57D, VAL85C, VAL85D, VAL86C, VAL86D