3HI2

structure of the n-terminal domain of the e. coli antitoxin mqsa (ygit/b3021) in complex with the e. coli toxin mqsr (ygiu/b3022)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 91
  • Norm. En. per Res.: -4.802
• 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	-70.6002	-102.3451	-264.038	-436.9833	91	8	2	10637	8	30	27
A-C	-8.4479	-13.0159	-23.3644	-44.8281	22	2	1	910	2	7	7
A-D	0.0	-7.5908	-37.7014	-45.2922	31	2	0	1869	2	8	9
B-D	-2.8451	3.9351	-49.9519	-48.8619	31	1	2	2064	0	5	4
C-D	-64.0112	-45.6758	-196.115	-305.802	75	11	2	8131	5	21	20

Interface residues

• A-B: ALA28B, ALA32B, ALA52A, ALA55A, ARG23B, ARG26B, ARG61A, ASN31B, ASN46A, ASP33B, ASP38B, ASP40B, ASP51A, ASP63B, CYS37A, CYS3A, CYS40A, CYS43B, CYS6A, GLN21B, GLN68B, GLN8A, GLU34B, GLU41A, GLU42A, GLU48A, GLU49A, GLU97B, GLY20B, GLY34A, GLY36B, GLY41B, GLY9A, HIS33A, HIS64B, HIS7A, HIS88B, ILE18A, ILE32A, ILE44A, ILE66B, ILE84B, ILE87B, ILE92B, LEU29A, LEU29B, LEU30B, LEU35A, LEU37B, LEU91B, LYS16A, LYS2A, LYS47A, LYS58A, LYS83B, LYS96B, MET11A, MET1A, MET42B, MET45A, MET54A, MET58B, PHE22A, PHE39B, PHE53A, PHE95B, PRO19A, PRO4A, SER13A, SER27B, SER43A, SER50A, SER62B, SER94B, THR21A, THR24B, THR25B, THR59B, THR60B, THR65B, THR85B, TRP67B, TYR20A, TYR36A, TYR61B, VAL22B, VAL57A, VAL5A, VAL86B, VAL90B, VAL93B
• A-C: ALA52A, ALA55A, ALA55C, ALA62C, ARG61C, ASN46A, ASN65C, ASP17A, GLN56A, GLU48A, GLU49A, GLY31A, HIS33A, ILE15A, ILE32A, LEU29A, LYS30A, LYS58C, MET54C, SER63C, VAL28A, VAL64C
• A-D: ALA32D, ARG74D, ASN31D, ASN46A, ASP33D, ASP38D, GLN79D, GLU10A, GLU34D, GLU48A, GLU49A, GLY14A, GLY34A, GLY36D, GLY78D, HIS33A, ILE15A, ILE44A, LEU30D, LEU35A, LEU35D, LEU37D, LEU75D, LYS2A, MET11A, MET1A, SER13A, THR77D, TYR36A, VAL12A, VAL76D
• B-D: ALA19B, ALA32D, ARG23B, ARG74D, ASN44D, ASP33D, ASP38D, ASP89B, GLN21B, GLN79D, GLU34D, GLY36D, GLY41D, GLY48D, GLY78D, HIS88B, ILE87B, ILE92B, LEU16B, LEU35D, LEU37D, LEU75D, LEU91B, PRO73D, THR77D, THR85B, VAL22B, VAL45D, VAL76D, VAL86B, VAL90B
• C-D: ALA28D, ALA32D, ALA52C, ALA55C, ARG23D, ARG26D, ARG61C, ASN31D, ASN46C, ASP17C, ASP33D, ASP38D, ASP40D, ASP51C, CYS37C, CYS3C, CYS40C, CYS43D, GLN21D, GLN68D, GLU10C, GLU34D, GLU41C, GLU42C, GLU48C, GLU49C, GLY20D, GLY34C, GLY36D, GLY41D, HIS33C, HIS7C, HIS88D, ILE18C, ILE32C, ILE44C, ILE66D, ILE87D, ILE92D, LEU29C, LEU29D, LEU30D, LEU35C, LEU37D, LEU91D, LYS16C, LYS2C, LYS47C, LYS58C, MET11C, MET1C, MET42D, MET45C, MET54C, PHE39D, PHE53C, PRO19C, PRO4C, SER27D, SER43C, SER50C, SER94D, THR24D, THR25D, THR59D, THR60D, THR85D, TYR20C, TYR36C, VAL22D, VAL57C, VAL5C, VAL86D, VAL90D, VAL93D