3Q8X

structure of a toxin-antitoxin system bound to its substrate

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 140
  • Norm. En. per Res.: -4.4954
• 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	-115.1467	-186.5687	-327.636	-629.3514	140	18	1	13479	14	66	55
A-C	-67.7105	9.6929	-253.274	-311.2916	94	14	7	10498	0	21	23
A-D	0.0	0.0	-0.0071	-0.0071	2	0	0	5	0	0	0
B-C	0.0	0.0	-0.0153	-0.0153	2	0	0	8	0	0	0
C-D	-79.4364	-173.0664	-306.953	-559.4558	139	14	1	13206	12	60	47

Interface residues

• A-B: ALA164B, ALA170B, ALA19A, ALA52B, ARG158B, ARG15B, ARG171B, ARG206B, ARG245B, ARG24A, ARG50B, ARG55A, ARG74A, ARG78A, ASN14B, ASN150B, ASN15A, ASN17B, ASN19B, ASN205B, ASN23A, ASN27A, ASN31A, ASN48A, ASN57A, ASN66B, ASN75B, ASN77A, ASP165B, ASP166B, ASP18B, ASP60A, ASP65B, ASP67B, ASP77B, GLN11B, GLN25B, GLN58B, GLN71B, GLN72B, GLU10A, GLU116B, GLU12A, GLU13B, GLU157B, GLU160B, GLU16A, GLU207B, GLU21B, GLU22B, GLU33A, GLU55B, GLU6A, GLU71A, GLU78B, GLU87A, GLY154B, GLY208B, GLY26B, GLY43B, GLY45B, GLY59B, HIS32A, HIS70A, HIS73B, ILE11A, ILE13A, ILE14A, ILE156B, ILE246B, ILE53B, LEU153B, LEU16B, LEU17A, LEU23B, LEU26A, LEU30A, LEU47A, LEU49B, LEU50A, LEU52A, LEU58A, LEU63A, LEU79B, LEU84A, LYS10B, LYS249B, LYS27B, LYS36A, LYS46B, LYS51A, LYS54A, LYS70B, LYS7A, LYS81A, LYS81B, MET144B, MET162B, MET168B, MET98B, PHE12B, PHE54B, PHE59A, PHE69B, PHE76B, PHE9A, PRO167B, PRO241B, PRO74B, SER151B, SER18A, SER20A, SER44B, SER48B, SER51B, THR155B, THR161B, THR169B, THR242B, THR47B, THR4A, THR68B, THR8A, TRP73A, TYR159B, TYR163B, TYR204B, TYR22A, TYR28A, TYR5A, TYR94B, VAL114B, VAL146B, VAL209B, VAL21A, VAL29A, VAL3A, VAL56A, VAL61B, VAL63B
• A-C: ALA53A, ALA53C, ALA68A, ALA68C, ARG55A, ARG55C, ARG74A, ARG74C, ARG78A, ARG78C, ASN45A, ASN45C, ASN48A, ASN48C, ASN57A, ASN57C, ASN77C, ASN85A, ASN85C, ASP38A, ASP38C, ASP60A, ASP60C, GLN40A, GLN40C, GLN49A, GLN49C, GLN67A, GLN67C, GLN82A, GLN82C, GLU43A, GLU43C, GLU64A, GLU64C, GLU65A, GLU65C, GLU71A, GLU71C, HIS70A, HIS70C, LEU41A, LEU41C, LEU42A, LEU42C, LEU46A, LEU46C, LEU47A, LEU47C, LEU50A, LEU50C, LEU52A, LEU52C, LEU58A, LEU58C, LEU66A, LEU66C, LEU84A, LEU84C, LYS51A, LYS51C, LYS54A, LYS54C, LYS86A, LYS86C, MET76A, MET76C, PHE59A, PHE59C, SER39A, SER39C, SER62A, SER62C, SER75A, SER75C, SER80A, SER80C, TRP73A, TRP73C, TYR28A, TYR61A, TYR61C, TYR72A, TYR72C, TYR79A, TYR79C, VAL44A, VAL44C, VAL56A, VAL56C, VAL69A, VAL69C, VAL83A, VAL83C
• A-D: GLN40A, PHE54D
• B-C: GLN40C, PHE54B
• C-D: ALA164D, ALA19C, ALA2C, ALA52D, ARG158D, ARG15D, ARG206D, ARG245D, ARG24C, ARG50D, ARG55C, ARG74C, ARG78C, ASN14D, ASN150D, ASN15C, ASN17D, ASN19D, ASN205D, ASN23C, ASN27C, ASN31C, ASN48C, ASN57C, ASN66D, ASN75D, ASN77C, ASP165D, ASP166D, ASP18D, ASP60C, ASP65D, ASP67D, ASP77D, GLN11D, GLN25D, GLN58D, GLN71D, GLN72D, GLU10C, GLU116D, GLU12C, GLU13D, GLU157D, GLU160D, GLU16C, GLU207D, GLU21D, GLU22D, GLU33C, GLU55D, GLU6C, GLU71C, GLU78D, GLY154D, GLY208D, GLY26D, GLY43D, GLY45D, GLY59D, HIS32C, HIS70C, HIS73D, ILE11C, ILE13C, ILE14C, ILE156D, ILE246D, ILE24D, ILE53D, LEU153D, LEU16D, LEU17C, LEU23D, LEU26C, LEU30C, LEU47C, LEU49D, LEU50C, LEU52C, LEU58C, LEU66C, LEU79D, LEU84C, LYS10D, LYS249D, LYS27D, LYS36C, LYS46D, LYS51C, LYS54C, LYS70D, LYS7C, LYS81C, MET144D, MET162D, MET168D, MET98D, PHE12D, PHE54D, PHE59C, PHE69D, PHE76D, PHE9C, PRO167D, PRO241D, PRO74D, SER151D, SER18C, SER20C, SER44D, SER48D, SER51D, SER95D, THR155D, THR161D, THR169D, THR242D, THR47D, THR4C, THR68D, THR8C, TRP73C, TYR159D, TYR163D, TYR204D, TYR22C, TYR28C, TYR5C, TYR94D, VAL114D, VAL146D, VAL209D, VAL21C, VAL29C, VAL3C, VAL56C, VAL61D, VAL63D