2ZW3

structure of the connexin-26 gap junction channel at 3.5 angstrom resolution

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 160
  • Norm. En. per Res.: -2.9495
• 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	-65.4087	-57.5463	-334.394	-457.349	161	49	8	15666	4	23	47
A-F	-54.9033	-47.761	-338.945	-441.6093	161	46	8	15673	4	22	47
B-C	-68.4802	-59.6097	-343.829	-471.9189	160	52	8	16025	5	23	48
C-D	-70.6519	-56.5917	-321.954	-449.1976	158	45	8	15516	4	22	48
D-E	-71.2253	-47.0247	-340.004	-458.2541	161	53	8	16017	4	23	48
E-F	-71.5531	-47.7477	-330.815	-450.1157	159	50	8	15967	4	23	48

Interface residues

• A-B: ALA171B, ALA197A, ALA39A, ALA39B, ALA40A, ALA40B, ALA49A, ALA49B, ALA78B, ALA92B, ALA96B, ARG104B, ARG165A, ARG184A, ARG32A, ARG75B, ARG98B, ARG99A, ASN14A, ASN170B, ASN54A, ASN62B, ASP179A, ASP2A, ASP2A5, ASP2B, ASP46A, ASP46B, ASP50A, ASP66B, CB7.5050425.42294, CYS169B, CYS174B, CYS180A, CYS53A, CYS60B, CYS64B, GLN164A, GLN48B, GLN57B, GLN7A, GLN7B, GLN80B, GLU101B, GLU187A, GLU42A, GLU42B, GLU47A, GLU47B, GLY11A, GLY12A, GLY21A, GLY45A, GLY45B, GLY4A, GLY4B, GLY59B, HIS100B, HIS16A, HIS67B, HIS73B, HIS94B, ILE20A, ILE23A, ILE30A, ILE33A, ILE33B, ILE35A, ILE71B, ILE74B, ILE82B, ILE9A, ILE9B, LEU10B, LEU132B, LEU166A, LEU25A, LEU28A, LEU36A, LEU36B, LEU56A, LEU56B, LEU6A, LEU6B, LEU76B, LEU79B, LEU81B, LEU89B, LEU90B, LYS105B, LYS125A, LYS15A, LYS168A, LYS188A, LYS22A, LYS41A, LYS41B, LYS61A, LYS61B, MET157B, MET163A, MET195A, MET34A, MET93B, PHE142B, PHE146B, PHE150B, PHE181A, PHE191A, PHE194A, PHE31A, PHE51A, PHE51B, PHE69B, PHE83B, PRO173B, PRO185A, PRO58B, PRO70B, PRO87B, SER17A, SER183A, SER19A, SER72B, SER85B, THR135B, THR186A, THR189A, THR18A, THR26A, THR55A, THR5A, THR5B, THR86B, THR8A, TRP172B, TRP24A, TRP3A, TRP3B, TRP44A, TRP44B, TRP77B, TYR158B, TYR65B, TYR68B, TYR97B, VAL13A, VAL153B, VAL167A, VAL182A, VAL190A, VAL198A, VAL27A, VAL37A, VAL38A, VAL43A, VAL52A, VAL63B, VAL84B, VAL91B, VAL95B
• A-F: ALA171A, ALA197F, ALA39A, ALA39F, ALA40A, ALA40F, ALA49A, ALA49F, ALA78A, ALA92A, ALA96A, ARG104A, ARG165F, ARG184F, ARG32F, ARG75A, ARG98A, ARG99F, ASN14F, ASN170A, ASN54F, ASN62A, ASP179F, ASP2A, ASP2A5, ASP2F, ASP46A, ASP46F, ASP50F, ASP66A, CB7.9001023.83783, CYS169A, CYS174A, CYS180F, CYS53F, CYS60A, CYS64A, GLN164F, GLN48A, GLN57A, GLN7A, GLN7F, GLN80A, GLU101A, GLU187F, GLU42A, GLU42F, GLU47A, GLU47F, GLY12F, GLY21F, GLY45A, GLY45F, GLY4A, GLY4F, GLY59A, HIS100A, HIS16F, HIS67A, HIS73A, HIS94A, ILE20F, ILE23F, ILE30F, ILE33A, ILE33F, ILE35F, ILE71A, ILE74A, ILE82A, ILE9A, ILE9F, LEU10A, LEU132A, LEU166F, LEU25F, LEU28F, LEU36A, LEU36F, LEU56A, LEU56F, LEU6A, LEU6F, LEU76A, LEU79A, LEU81A, LEU89A, LEU90A, LYS105A, LYS125F, LYS15F, LYS168F, LYS188F, LYS22F, LYS41A, LYS41F, LYS61A, LYS61F, MET157A, MET163F, MET195F, MET34F, MET93A, PHE142A, PHE146A, PHE150A, PHE181F, PHE191F, PHE194F, PHE31F, PHE51A, PHE51F, PHE69A, PHE83A, PRO173A, PRO185F, PRO58A, PRO70A, PRO87A, SER131A, SER17F, SER183F, SER19F, SER72A, SER85A, THR135A, THR186F, THR189F, THR18F, THR26F, THR55F, THR5A, THR5F, THR86A, THR8F, TRP172A, TRP24F, TRP3A, TRP3F, TRP44A, TRP44F, TRP77A, TYR158A, TYR65A, TYR68A, TYR97A, VAL13F, VAL153A, VAL167F, VAL182F, VAL190F, VAL198F, VAL27F, VAL37F, VAL38F, VAL43F, VAL52F, VAL63A, VAL84A, VAL91A, VAL95A
• B-C: ALA171C, ALA197B, ALA39B, ALA39C, ALA40B, ALA40C, ALA49B, ALA49C, ALA78C, ALA92C, ALA96C, ARG104C, ARG165B, ARG184B, ARG32B, ARG75C, ARG98C, ARG99B, ASN14B, ASN170C, ASN54B, ASN62C, ASP179B, ASP2B, ASP2C, ASP46B, ASP46C, ASP50B, ASP66C, CYS169C, CYS174C, CYS180B, CYS53B, CYS60C, CYS64C, GLN164B, GLN48C, GLN57C, GLN7B, GLN7C, GLN80C, GLU101C, GLU187B, GLU42B, GLU42C, GLU47B, GLU47C, GLY12B, GLY21B, GLY45B, GLY45C, GLY4B, GLY4C, GLY59C, HIS100C, HIS16B, HIS67C, HIS73C, HIS94C, ILE20B, ILE23B, ILE30B, ILE33B, ILE33C, ILE35B, ILE71C, ILE74C, ILE82C, ILE9B, ILE9C, LEU10C, LEU132C, LEU166B, LEU25B, LEU28B, LEU36B, LEU36C, LEU56B, LEU56C, LEU6B, LEU6C, LEU76C, LEU79C, LEU81C, LEU89C, LEU90C, LYS105C, LYS108C, LYS125B, LYS15B, LYS168B, LYS188B, LYS22B, LYS41B, LYS41C, LYS61B, LYS61C, MET157C, MET163B, MET195B, MET34B, MET93C, PHE142C, PHE146C, PHE150C, PHE181B, PHE191B, PHE194B, PHE29B, PHE31B, PHE51B, PHE51C, PHE69C, PHE83C, PRO173C, PRO185B, PRO58C, PRO70C, PRO87C, SER17B, SER183B, SER19B, SER72C, SER85C, THR135C, THR186B, THR189B, THR18B, THR26B, THR55B, THR5B, THR5C, THR86C, THR8B, TRP172C, TRP24B, TRP3B, TRP3C, TRP44B, TRP44C, TRP77C, TYR158C, TYR65C, TYR68C, TYR97C, VAL13B, VAL153C, VAL167B, VAL182B, VAL190B, VAL198B, VAL27B, VAL37B, VAL38B, VAL43B, VAL52B, VAL63C, VAL84C, VAL91C, VAL95C
• C-D: ALA171D, ALA197C, ALA39C, ALA39D, ALA40C, ALA40D, ALA49C, ALA49D, ALA78D, ALA92D, ALA96D, ARG104D, ARG165C, ARG184C, ARG32C, ARG75D, ARG98D, ARG99C, ASN14C, ASN170D, ASN54C, ASN62D, ASP179C, ASP2C, ASP2D, ASP46C, ASP46D, ASP50C, ASP66D, CYS169D, CYS174D, CYS180C, CYS53C, CYS60D, CYS64D, GLN164C, GLN48D, GLN57D, GLN7C, GLN7D, GLN80D, GLU101D, GLU187C, GLU42C, GLU42D, GLU47C, GLU47D, GLY12C, GLY21C, GLY45C, GLY45D, GLY4C, GLY4D, GLY59D, HIS100D, HIS16C, HIS67D, HIS73D, HIS94D, ILE20C, ILE23C, ILE30C, ILE33C, ILE33D, ILE35C, ILE71D, ILE74D, ILE82D, ILE9C, ILE9D, LEU10D, LEU132D, LEU166C, LEU25C, LEU28C, LEU36C, LEU36D, LEU56C, LEU56D, LEU6C, LEU6D, LEU76D, LEU79D, LEU81D, LEU89D, LEU90D, LYS105D, LYS125C, LYS15C, LYS168C, LYS188C, LYS22C, LYS41C, LYS41D, LYS61C, LYS61D, MET157D, MET163C, MET195C, MET34C, MET93D, PHE142D, PHE146D, PHE150D, PHE181C, PHE191C, PHE194C, PHE31C, PHE51C, PHE51D, PHE69D, PHE83D, PRO173D, PRO185C, PRO58D, PRO70D, PRO87D, SER17C, SER183C, SER19C, SER72D, SER85D, THR135D, THR186C, THR189C, THR18C, THR26C, THR55C, THR5C, THR5D, THR86D, THR8C, TRP172D, TRP24C, TRP3C, TRP3D, TRP44C, TRP44D, TRP77D, TYR158D, TYR65D, TYR68D, TYR97D, VAL13C, VAL153D, VAL167C, VAL182C, VAL190C, VAL198C, VAL27C, VAL37C, VAL38C, VAL43C, VAL52C, VAL63D, VAL84D, VAL91D, VAL95D
• D-E: ALA171E, ALA197D, ALA39D, ALA39E, ALA40D, ALA40E, ALA49D, ALA49E, ALA78E, ALA92E, ALA96E, ARG104E, ARG165D, ARG184D, ARG32D, ARG75E, ARG98E, ARG99D, ASN14D, ASN170E, ASN54D, ASN62E, ASP179D, ASP2D, ASP2E, ASP46D, ASP46E, ASP50D, ASP66E, CYS169E, CYS174E, CYS180D, CYS53D, CYS60E, CYS64E, GLN164D, GLN48D, GLN48E, GLN57E, GLN7D, GLN7E, GLN80E, GLU101E, GLU187D, GLU42D, GLU42E, GLU47D, GLU47E, GLY11D, GLY12D, GLY21D, GLY45D, GLY45E, GLY4D, GLY4E, GLY59E, HIS100E, HIS16D, HIS67E, HIS73E, HIS94E, ILE20D, ILE23D, ILE30D, ILE33D, ILE33E, ILE35D, ILE71E, ILE74E, ILE82E, ILE9D, ILE9E, LEU10E, LEU132E, LEU166D, LEU25D, LEU28D, LEU36D, LEU36E, LEU56D, LEU56E, LEU6D, LEU6E, LEU76E, LEU79E, LEU81E, LEU89E, LEU90E, LYS105E, LYS108E, LYS125D, LYS15D, LYS168D, LYS188D, LYS22D, LYS41D, LYS41E, LYS61D, LYS61E, MET157E, MET163D, MET195D, MET34D, MET93E, PHE142E, PHE146E, PHE150E, PHE181D, PHE191D, PHE194D, PHE31D, PHE51D, PHE51E, PHE69E, PHE83E, PRO173E, PRO185D, PRO58E, PRO70E, PRO87E, SER17D, SER183D, SER19D, SER72E, SER85E, THR135E, THR186D, THR189D, THR18D, THR26D, THR55D, THR5D, THR5E, THR86E, THR8D, TRP172E, TRP24D, TRP3D, TRP3E, TRP44D, TRP44E, TRP77E, TYR158E, TYR65E, TYR68E, TYR97E, VAL13D, VAL153E, VAL167D, VAL182D, VAL190D, VAL198D, VAL27D, VAL37D, VAL38D, VAL43D, VAL52D, VAL63E, VAL84E, VAL91E, VAL95E
• E-F: ALA171F, ALA197E, ALA39E, ALA39F, ALA40E, ALA40F, ALA49E, ALA49F, ALA78F, ALA92F, ALA96F, ARG104F, ARG165E, ARG184E, ARG32E, ARG75F, ARG98F, ARG99E, ASN14E, ASN170F, ASN54E, ASN62F, ASP179E, ASP2E, ASP2F, ASP46E, ASP46F, ASP50E, ASP66F, CYS169F, CYS174F, CYS180E, CYS53E, CYS60F, CYS64F, GLN164E, GLN48E, GLN48F, GLN57F, GLN7E, GLN7F, GLN80F, GLU101F, GLU187E, GLU42E, GLU42F, GLU47E, GLU47F, GLY12E, GLY21E, GLY45E, GLY45F, GLY4E, GLY59F, HIS100F, HIS16E, HIS67F, HIS73F, HIS94F, ILE20E, ILE23E, ILE30E, ILE33E, ILE33F, ILE35E, ILE71F, ILE74F, ILE82F, ILE9E, ILE9F, LEU10F, LEU132F, LEU166E, LEU25E, LEU28E, LEU36E, LEU36F, LEU56E, LEU56F, LEU6E, LEU6F, LEU76F, LEU79F, LEU81F, LEU89F, LEU90F, LYS105F, LYS125E, LYS15E, LYS168E, LYS188E, LYS22E, LYS41E, LYS41F, LYS61E, LYS61F, MET157F, MET163E, MET195E, MET34E, MET93F, PHE142F, PHE146F, PHE150F, PHE181E, PHE191E, PHE194E, PHE31E, PHE51E, PHE51F, PHE69F, PHE83F, PRO173F, PRO185E, PRO58F, PRO70F, PRO87F, SER131F, SER17E, SER183E, SER19E, SER72F, SER85F, THR135F, THR186E, THR189E, THR18E, THR26E, THR55E, THR5E, THR5F, THR86F, THR8E, TRP172F, TRP24E, TRP3E, TRP3F, TRP44E, TRP44F, TRP77F, TYR158F, TYR65F, TYR68F, TYR97F, VAL13E, VAL153F, VAL167E, VAL182E, VAL190E, VAL198E, VAL27E, VAL37E, VAL38E, VAL43E, VAL52E, VAL63F, VAL84F, VAL91F, VAL95F