3OE3

crystal structure of plic-st, periplasmic lysozyme inhibitor of c-type lysozyme from salmonella typhimurium

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 34
  • Norm. En. per Res.: -2.567
• Hub Node: A(4)

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	0.0	0.0	-0.3496	-0.3496	8	0	0	68	0	1	0
A-C	-4.4825	8.0504	-144.809	-141.2411	68	3	10	7308	0	9	15
A-D	0.0	0.0	-0.0459	-0.0459	3	0	0	15	0	0	1
A-E	0.0	0.0	-0.8011	-0.8011	14	0	0	191	0	3	4
B-C	0.0	0.0	-2.1315	-2.1315	8	0	1	227	0	0	1
B-D	0.0	15.7117	-139.502	-123.7903	67	3	9	7094	0	10	16
B-E	-5.0846	-44.5242	-37.67	-87.2788	34	3	0	1727	2	20	17
C-D	0.0	2.4613	-14.4284	-11.9671	13	0	1	506	0	0	3
D-E	0.0	0.0	-0.5381	-0.5381	3	0	0	50	0	0	3
E-F	-13.8997	15.3832	-152.59	-151.1065	71	5	9	7306	0	10	16

Interface residues

• A-B: ALA51B, ALA76B, ASN39A, ASP38A, GLY52B, LEU69B, LYS71B, VAL41A
• A-C: ALA51A, ALA51C, ALA54A, ALA54C, ALA56A, ALA56C, ARG68A, ARG68C, ASN48A, ASN48C, ASN53A, ASN53C, ASN62A, ASN62C, ASP82A, ASP82C, GLN27A, GLN27C, GLN60A, GLN60C, GLU28A, GLU28C, GLU43A, GLU43C, GLU50A, GLU50C, GLU63A, GLU63C, GLY52A, GLY52C, ILE29A, ILE29C, ILE33A, ILE33C, ILE45A, ILE45C, ILE57A, ILE57C, ILE58A, ILE58C, ILE65A, ILE65C, ILE81A, ILE81C, LEU69C, LYS31A, LYS31C, PRO66A, PRO66C, SER30A, SER30C, SER32A, SER59A, SER59C, THR49A, THR49C, TYR46A, TYR46C, TYR55A, TYR55C, TYR85A, TYR85C, VAL41A, VAL44A, VAL44C, VAL47A, VAL47C, VAL61C
• A-D: ASN62A, GLN27D, GLU50D
• A-E: ASN62A, ASN62E, ASP102A, ASP102E, GLN40A, GLN60A, GLU100A, GLU100E, GLY101E, LYS104A, LYS104E, THR86E, VAL61A, VAL61E
• B-C: ALA51B, ASN53B, ASN62C, GLU50B, GLU63C, GLY52B, THR49B, VAL61C
• B-D: ALA51B, ALA51D, ALA54B, ALA54D, ALA56B, ALA56D, ARG68B, ARG68D, ASN48B, ASN48D, ASN53B, ASN53D, ASN62B, ASN62D, ASP82B, ASP82D, GLN27B, GLN27D, GLN60B, GLN60D, GLU28B, GLU28D, GLU43B, GLU43D, GLU50B, GLU50D, GLU63B, GLU63D, GLY52B, GLY52D, ILE29B, ILE29D, ILE33B, ILE33D, ILE45B, ILE45D, ILE57B, ILE57D, ILE58B, ILE58D, ILE65B, ILE65D, ILE81B, ILE81D, LYS31B, LYS31D, PRO66B, PRO66D, SER30B, SER30D, SER32B, SER59B, SER59D, THR49B, THR49D, TYR46B, TYR46D, TYR55B, TYR55D, TYR85B, TYR85D, VAL41B, VAL41D, VAL44B, VAL44D, VAL47B, VAL47D
• B-E: ALA80B, ARG68B, ASN109E, ASN37E, ASN77E, ASN84B, ASP102B, ASP102E, ASP103B, ASP103E, ASP82B, GLU100B, GLU100E, GLU79B, GLU97E, GLY101B, ILE81B, LEU98E, LYS104E, LYS71B, LYS71E, LYS83B, LYS88B, LYS88E, LYS92E, PRO105E, SER108E, THR86B, THR95E, TYR85B, TYR90B, TYR90E, VAL106E, VAL99E
• C-D: ALA51D, ASN62C, GLN60C, GLU100C, GLU28D, GLU50D, GLU63C, GLY52D, LYS104C, LYS71D, THR49D, TYR87C, VAL61C
• D-E: ASP102E, GLN27D, GLU28D
• E-F: ALA51E, ALA51F, ALA54E, ALA54F, ALA56E, ALA56F, ALA80F, ARG68E, ARG68F, ASN48E, ASN48F, ASN53E, ASN53F, ASN62E, ASN62F, ASP82E, ASP82F, GLN27E, GLN60E, GLN60F, GLU28E, GLU28F, GLU43E, GLU43F, GLU50E, GLU50F, GLU63E, GLU63F, GLU79F, GLY52E, GLY52F, ILE29E, ILE29F, ILE33E, ILE33F, ILE45E, ILE45F, ILE57E, ILE57F, ILE58E, ILE58F, ILE65E, ILE65F, ILE81E, ILE81F, LYS31E, LYS31F, LYS71F, PRO66E, PRO66F, SER30E, SER30F, SER32E, SER32F, SER59E, SER59F, THR49E, THR49F, TYR46E, TYR46F, TYR55E, TYR55F, TYR78F, TYR85E, TYR85F, VAL41E, VAL41F, VAL44E, VAL44F, VAL47E, VAL47F