3CTO

crystal structure of m. tuberculosis yefm antitoxin

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 96
  • Norm. En. per Res.: -5.0404
• 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	-81.6358	-57.1701	-345.068	-483.8739	96	14	29	14057	7	16	14
A-C	-12.0248	-5.1792	-304.485	-321.6891	94	7	10	13059	2	43	41
A-D	0.0	9.5934	-66.3741	-56.7807	31	3	2	2881	0	6	3
B-C	-2.9479	22.2749	-89.6886	-70.3616	33	1	3	3474	0	6	2
B-D	0.0	51.6429	-248.758	-197.115	79	11	8	9725	0	31	28
B-E	0.0	0.0	-0.0111	-0.0111	3	0	0	5	0	3	2
C-D	-81.9163	-36.435	-325.684	-444.0353	91	10	26	13360	4	15	14

Interface residues

• A-B: ALA31B, ALA32A, ALA34B, ALA35A, ALA39B, ALA40A, ALA44B, ALA45A, ALA4B, ALA5A, ALA7B, ALA8A, ARG10B, ARG11A, ARG26B, ARG27A, ARG30B, ARG31A, ARG8B, ARG9A, ASN19B, ASN20A, ASP33B, ASP34A, ASP40B, ASP41A, ASP41B, ASP42A, ASP43B, ASP44A, GLN10A, GLN17B, GLN18A, GLN23B, GLN24A, GLN46B, GLN47A, GLN9B, GLU16B, GLU17A, GLU47B, GLU48A, GLU6B, GLU7A, GLY32B, GLY33A, HIS23A, ILE15B, ILE16A, ILE27B, ILE28A, ILE2B, ILE3A, LEU11B, LEU12A, LEU14B, LEU15A, LEU36B, LEU37A, LEU52B, LEU53A, MET37B, MET38A, PHE12B, PHE13A, PRO13B, PRO14A, PRO24B, PRO25A, SER29B, SER30A, SER38B, SER39A, SER3B, SER4A, SER5B, SER6A, THR20B, THR28B, THR29A, THR48B, THR49A, TRP45B, TRP46A, TYR42B, TYR43A, TYR50B, TYR51A, VAL18B, VAL19A, VAL25B, VAL26A, VAL35B, VAL36A, VAL49B, VAL50A
• 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, 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, VAL19A, VAL19C, VAL36A, VAL36C, VAL50A, VAL50C, VAL66A, VAL66C, VAL80C
• A-D: ALA58D, ALA59A, ARG27A, ARG53D, ARG54A, ASN57D, GLN46D, GLN47A, GLU47D, GLU48A, GLU56D, GLU57A, LEU51D, LEU52A, LEU52D, LEU53A, MET62D, PRO55D, PRO56A, SER54D, SER55A, THR48D, THR49A, TRP45D, TRP46A, TYR42D, TYR43A, TYR50D, TYR51A, VAL49D, VAL50A
• B-C: ALA58B, ALA59C, ARG53B, ARG54C, ASN57B, ASN58C, ASP44C, GLN46B, GLN47C, GLU47B, GLU48C, GLU56B, GLU57C, LEU51B, LEU52B, LEU52C, LEU53C, MET37B, MET38C, PRO55B, PRO56C, SER54B, SER55C, THR48B, THR49C, TRP45B, TRP46C, TYR42B, TYR43C, TYR50B, TYR51C, VAL49B, VAL50C
• B-D: ALA39B, ALA44B, ALA44D, ALA58B, ALA58D, ALA64B, ALA64D, ALA66B, ALA70B, ARG53D, ARG59B, ARG59D, ARG60B, ARG60D, ARG67B, ASN19B, ASN19D, ASN57B, ASN57D, ASP21B, ASP21D, ASP40B, ASP40D, ASP41B, ASP41D, ASP43B, ASP43D, ASP68B, GLN23B, GLN23D, GLN46B, GLN46D, GLU47B, GLU47D, GLU56B, GLU56D, GLU63B, GLU63D, GLY71B, HIS22B, HIS22D, HIS72B, LEU51B, LEU51D, LEU52B, LEU52D, LEU61B, LEU61D, LYS69B, MET37B, MET37D, MET62B, MET62D, PRO24B, PRO24D, PRO55B, PRO55D, SER38B, SER38D, SER54B, SER54D, THR20B, THR20D, THR48B, THR48D, TRP45B, TRP45D, TYR42B, TYR42D, TYR50B, TYR50D, VAL18B, VAL18D, VAL35B, VAL35D, VAL49B, VAL49D, VAL65B, VAL65D
• B-E: ASP8E, SER73B, THR4E
• C-D: ALA31D, ALA32C, ALA34D, ALA35C, ALA39D, ALA40C, ALA44D, ALA4D, ALA5C, ALA7D, ALA8C, ARG10D, ARG11C, ARG26D, ARG27C, ARG30D, ARG31C, ARG8D, ARG9C, ASN19D, ASN20C, ASP33D, ASP34C, ASP40D, ASP41C, ASP41D, ASP42C, ASP43D, ASP44C, GLN10C, GLN17D, GLN18C, GLN23D, GLN24C, GLN46D, GLN47C, GLN9D, GLU16D, GLU17C, GLU6D, GLU7C, GLY32D, GLY33C, HIS23C, ILE15D, ILE16C, ILE27D, ILE28C, ILE2D, ILE3C, LEU11D, LEU12C, LEU14D, LEU15C, LEU36D, LEU37C, LEU52D, MET37D, MET38C, PHE12D, PHE13C, PRO13D, PRO14C, PRO24D, PRO25C, SER29D, SER30C, SER38D, SER39C, SER3D, SER4C, SER5D, SER6C, THR20D, THR21C, THR28D, THR29C, THR48D, TRP45D, TRP46C, TYR42D, TYR43C, TYR50D, VAL18D, VAL19C, VAL25D, VAL26C, VAL35D, VAL36C, VAL49D, VAL50C