3D55

crystal structure of m. tuberculosis yefm antitoxin

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 95
  • Norm. En. per Res.: -5.2874
• 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	-89.3706	-53.5577	-359.376	-502.3043	95	16	29	14311	7	16	13
A-C	-4.1405	8.0786	-300.492	-296.5539	96	26	11	13496	2	44	41
A-D	0.0	9.2907	-59.8574	-50.5667	31	7	2	2837	0	6	3
B-C	-14.1292	21.3396	-89.156	-81.9456	32	2	3	3479	0	6	2
B-D	0.0	55.9537	-259.426	-203.4723	83	15	8	9896	1	34	30
C-D	-92.0662	-25.1075	-347.559	-464.7328	91	15	27	13799	4	16	14

Interface residues

• A-B: ALA32A, ALA32B, ALA35A, ALA35B, ALA40A, ALA40B, ALA45B, ALA5A, ALA5B, ALA8A, ALA8B, ARG11A, ARG11B, ARG27A, ARG27B, ARG31A, ARG31B, ARG9A, ARG9B, ASN20A, ASN20B, ASP34A, ASP34B, ASP41A, ASP41B, ASP42A, ASP42B, ASP44A, ASP44B, GLN10A, GLN10B, GLN18A, GLN18B, GLN24A, GLN24B, GLN47A, GLN47B, GLU17A, GLU17B, GLU48A, GLU48B, GLU7A, GLU7B, GLY33A, GLY33B, HIS23A, ILE16A, ILE16B, ILE28A, ILE28B, ILE3A, ILE3B, LEU12A, LEU12B, LEU15A, LEU15B, LEU37A, LEU37B, LEU53A, LEU53B, MET38A, MET38B, PHE13A, PHE13B, PRO14A, PRO14B, PRO25A, PRO25B, SER30A, SER30B, SER39A, SER39B, SER4A, SER4B, SER6A, SER6B, THR21B, THR29A, THR29B, THR49A, THR49B, TRP46A, TRP46B, TYR43A, TYR43B, TYR51A, TYR51B, VAL19A, VAL19B, VAL26A, VAL26B, VAL36A, VAL36B, VAL50A, VAL50B
• A-C: ALA40A, ALA40C, ALA45A, ALA45C, ALA59A, ALA59C, ALA65A, ALA65C, ALA67A, ALA67C, ALA71C, ALA75C, ARG54A, ARG54C, ARG60A, ARG60C, ARG61A, ARG61C, ARG68A, ARG68C, ARG84C, ASN20A, ASN20C, ASN58A, ASN58C, ASP22A, ASP22C, ASP41A, ASP41C, ASP42A, ASP42C, ASP44A, ASP44C, ASP69C, ASP81C, GLN24A, GLN24C, GLN47A, GLN47C, GLU48A, GLU48C, GLU57A, GLU57C, GLU64A, GLU64C, GLU82C, GLU85C, GLY72C, HIS23A, HIS23C, HIS73C, LEU52A, LEU52C, LEU53A, LEU53C, LEU62A, LEU62C, LEU83C, LYS70C, LYS78C, MET38A, MET38C, MET63A, MET63C, MET86C, PHE76C, PRO25A, PRO25C, PRO56A, PRO56C, SER39A, SER39C, SER55A, SER55C, SER74C, SER79C, THR21A, THR21C, THR49A, THR49C, THR77C, TRP46A, TRP46C, TYR43A, TYR43C, TYR51A, TYR51C, VAL19A, VAL19C, VAL36A, VAL36C, VAL50A, VAL50C, VAL66A, VAL66C, VAL80C
• A-D: ALA59A, ALA59D, ARG27A, ARG54A, ARG54D, ASN58D, GLN47A, GLN47D, GLU48A, GLU48D, GLU57A, GLU57D, LEU52A, LEU52D, LEU53A, LEU53D, MET63D, PRO56A, PRO56D, SER55A, SER55D, THR49A, THR49D, TRP46A, TRP46D, TYR43A, TYR43D, TYR51A, TYR51D, VAL50A, VAL50D
• B-C: ALA59B, ALA59C, ARG54B, ARG54C, ASN58C, ASP44C, GLN47B, GLN47C, GLU48B, GLU48C, GLU57B, GLU57C, LEU52B, LEU52C, LEU53B, LEU53C, MET38B, MET38C, PRO56B, PRO56C, SER55B, SER55C, THR49B, THR49C, TRP46B, TRP46C, TYR43B, TYR43C, TYR51B, TYR51C, VAL50B, VAL50C
• B-D: ALA40B, ALA45B, ALA45D, ALA59B, ALA59D, ALA65B, ALA65D, ALA67B, ALA71B, ARG54D, ARG60B, ARG60D, ARG61B, ARG61D, ARG68B, ASN20B, ASN20D, ASN58B, ASN58D, ASP22B, ASP22D, ASP41B, ASP41D, ASP42B, ASP42D, ASP44B, ASP44D, ASP69B, ASP81D, GLN24B, GLN24D, GLN47B, GLN47D, GLU48B, GLU48D, GLU57B, GLU57D, GLU64B, GLU64D, GLY72B, HIS23B, HIS23D, HIS73B, LEU37D, LEU52B, LEU52D, LEU53B, LEU53D, LEU62B, LEU62D, LYS70B, MET38B, MET38D, MET63B, MET63D, PRO25B, PRO25D, PRO56B, PRO56D, SER39B, SER39D, SER55B, SER55D, SER74B, THR21B, THR21D, THR49B, THR49D, THR77D, TRP46B, TRP46D, TYR43B, TYR43D, TYR51B, VAL19B, VAL19D, VAL26D, VAL36B, VAL36D, VAL50B, VAL50D, VAL66B, VAL66D
• C-D: ALA32C, ALA32D, ALA35C, ALA35D, ALA40C, ALA40D, ALA45C, ALA5C, ALA5D, ALA8C, ALA8D, ARG11C, ARG11D, ARG27C, ARG27D, ARG31C, ARG31D, ARG9C, ARG9D, ASN20C, ASN20D, ASP34C, ASP34D, ASP41C, ASP41D, ASP42C, ASP42D, ASP44C, ASP44D, GLN10C, GLN10D, GLN18C, GLN18D, GLN24C, GLN24D, GLN47C, GLN47D, GLU17C, GLU17D, GLU7C, GLU7D, GLY33C, GLY33D, HIS23C, ILE16C, ILE16D, ILE28C, ILE28D, ILE3C, ILE3D, LEU12C, LEU12D, LEU15C, LEU15D, LEU37C, LEU37D, LEU53D, MET38C, MET38D, PHE13C, PHE13D, PRO14C, PRO14D, PRO25C, PRO25D, SER30C, SER30D, SER39C, SER39D, SER4C, SER4D, SER6C, SER6D, THR21C, THR21D, THR29C, THR29D, THR49D, TRP46C, TRP46D, TYR43C, TYR43D, TYR51D, VAL19C, VAL19D, VAL26C, VAL26D, VAL36C, VAL36D, VAL50C, VAL50D