2Q73

crystal structure of imazg from vibrio dat 722: ctag-imazg (p41212)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 46
  • Norm. En. per Res.: -4.2045
• 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	-56.4085	-39.5687	-452.093	-548.0703	144	14	34	21171	4	63	35
A-C	-5.1736	43.9325	-156.73	-117.971	43	5	4	5868	0	22	38
A-D	0.0	15.0913	-45.9079	-30.8166	25	1	1	1628	0	5	3
B-C	0.0	14.3362	-46.1424	-31.8062	25	0	1	1636	0	5	3
B-D	-35.3274	21.5337	-179.612	-193.4057	46	2	4	5789	4	26	38
C-D	-51.6864	-42.0442	-434.445	-528.1756	142	10	32	20741	4	62	35

Interface residues

• A-B: ALA16B, ALA56A, ALA56B, ALA68A, ALA68B, ALA70A, ALA70B, ARG39A, ARG39B, ASN71A, ASN71B, ASN76A, ASN76B, ASN88A, ASN88B, ASP49A, ASP49B, ASP61A, ASP61B, CYS67A, CYS67B, GLN45A, GLN45B, GLN7A, GLU21A, GLU21B, GLU30A, GLU30B, GLU33A, GLU33B, GLU36A, GLU36B, GLU50A, GLU50B, GLU57A, GLU57B, GLU58A, GLU58B, GLU5A, GLU78A, GLU78B, GLU82A, GLU82B, GLU85A, GLU85B, GLY32A, GLY32B, GLY41A, GLY41B, GLY44A, GLY44B, GLY53A, GLY53B, GLY74A, GLY74B, HIS73A, HIS73B, HIS81A, HIS81B, HIS9A, ILE10A, ILE28A, ILE28B, ILE38A, ILE38B, ILE72A, ILE72B, LEU27A, LEU27B, LEU34A, LEU34B, LEU3A, LEU48A, LEU48B, LEU51A, LEU51B, LEU59A, LEU59B, LEU63A, LEU63B, LEU69A, LEU69B, LEU6A, LEU77A, LEU77B, LEU83A, LEU83B, LEU87A, LEU87B, LYS2A, LYS42A, LYS42B, LYS52A, LYS52B, LYS79A, LYS79B, LYS84A, LYS84B, LYS89B, LYS91B, MET1A, PHE13A, PHE24A, PHE24B, PHE25B, PRO17B, PRO46A, PRO46B, SER20A, SER20B, SER35A, SER35B, SER37A, SER37B, SER43A, SER43B, SER54A, SER54B, THR47A, THR47B, THR80A, THR80B, TYR23A, TYR23B, TYR60A, TYR60B, TYR64A, TYR64B, TYR65A, TYR65B, VAL31A, VAL31B, VAL55A, VAL55B, VAL62A, VAL62B, VAL66A, VAL66B, VAL75A, VAL75B, VAL86A, VAL86B, VAL90A, VAL90B
• A-C: ARG39A, ARG39C, GLU21A, GLU21C, GLU29A, GLU29C, GLU30A, GLU30C, GLU33A, GLU33C, GLU36A, GLU36C, GLY32A, GLY32C, GLY41A, GLY41C, HIS22A, HIS22C, ILE28A, ILE28C, ILE38A, ILE38C, LEU27A, LEU27C, LEU34A, LEU34C, LYS26A, LYS26C, LYS40A, LYS40C, PHE24A, PHE24C, PHE25A, PHE25C, SER35A, SER35C, SER37A, SER37C, TYR23A, TYR23C, TYR65A, VAL31A, VAL31C
• A-D: GLU18D, GLU21A, GLU21D, GLU29A, GLU29D, HIS22D, HIS73A, HIS73D, ILE28A, ILE28D, LEU27A, LEU27D, LEU69A, LEU69D, LYS26A, LYS26D, PHE24A, PHE24D, PHE25A, PHE25D, PRO17D, SER20A, SER20D, VAL31A, VAL31D
• B-C: GLU18B, GLU21B, GLU21C, GLU29B, GLU29C, HIS22B, HIS73B, HIS73C, ILE28B, ILE28C, LEU27B, LEU27C, LEU69B, LEU69C, LYS26B, LYS26C, PHE24B, PHE24C, PHE25B, PHE25C, PRO17B, SER20B, SER20C, VAL31B, VAL31C
• B-D: ARG39B, ARG39D, GLU21B, GLU21D, GLU29B, GLU29D, GLU30B, GLU30D, GLU33B, GLU33D, GLU36B, GLU36D, GLY32B, GLY32D, GLY41B, GLY41D, HIS22B, HIS22D, ILE28B, ILE28D, ILE38B, ILE38D, LEU27B, LEU27D, LEU34B, LEU34D, LYS26B, LYS26D, LYS40B, LYS40D, PHE13B, PHE13D, PHE24B, PHE24D, PHE25B, PHE25D, SER35B, SER35D, SER37B, SER37D, TYR23B, TYR23D, TYR65B, TYR65D, VAL31B, VAL31D
• C-D: ALA56C, ALA56D, ALA68C, ALA68D, ALA70C, ALA70D, ARG39C, ARG39D, ASN71C, ASN71D, ASN76C, ASN76D, ASN88C, ASN88D, ASP49C, ASP49D, ASP61C, ASP61D, CYS67C, CYS67D, GLN45C, GLN45D, GLN7C, GLU21C, GLU21D, GLU30C, GLU30D, GLU33C, GLU33D, GLU36C, GLU36D, GLU50C, GLU50D, GLU57C, GLU57D, GLU58C, GLU58D, GLU5C, GLU78C, GLU78D, GLU82C, GLU82D, GLU85C, GLU85D, GLY32C, GLY32D, GLY41C, GLY41D, GLY44C, GLY44D, GLY53C, GLY53D, GLY74C, GLY74D, HIS73C, HIS73D, HIS81C, HIS81D, HIS9C, ILE10C, ILE28C, ILE28D, ILE38C, ILE38D, ILE72C, ILE72D, LEU27C, LEU27D, LEU34C, LEU34D, LEU3C, LEU48C, LEU48D, LEU51C, LEU51D, LEU59C, LEU59D, LEU63C, LEU63D, LEU69C, LEU69D, LEU6C, LEU77C, LEU77D, LEU83C, LEU83D, LEU87C, LEU87D, LYS2C, LYS42C, LYS42D, LYS52C, LYS52D, LYS79C, LYS79D, LYS84C, LYS84D, LYS89D, LYS91D, MET1C, PHE13C, PHE24C, PHE24D, PRO17D, PRO46C, PRO46D, SER20C, SER20D, SER35C, SER35D, SER37C, SER37D, SER43C, SER43D, SER54C, SER54D, THR47C, THR47D, THR80C, THR80D, TYR23C, TYR23D, TYR60C, TYR60D, TYR64C, TYR64D, TYR65C, TYR65D, VAL31C, VAL31D, VAL55C, VAL55D, VAL62C, VAL62D, VAL66C, VAL66D, VAL75C, VAL75D, VAL86C, VAL86D, VAL90C, VAL90D