1ZW0

crystal structure of the yersinia type iii secretion protein ysce

• Total interactions analyzed: 28
• Total true interactions: 18
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 33
  • Norm. En. per Res.: -4.5481
• 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	-15.1652	17.2518	-249.602	-247.5155	106	4	31	12431	2	24	23
A-C	-8.2554	-22.4759	-75.4234	-106.1547	33	0	0	2764	4	9	10
A-D	0.0	0.0	-0.4684	-0.4684	5	0	0	89	0	0	0
A-G	0.0	0.0	-0.0495	-0.0495	3	0	0	6	0	1	2
B-C	0.0	-2.8133	-44.7832	-47.5964	28	2	0	1844	0	7	9
B-D	0.0	2.6434	-27.087	-24.4436	23	1	0	1308	1	11	10
C-D	-2.9073	44.6383	-243.084	-201.353	103	11	24	11608	0	25	23
C-E	0.0	0.0	-1.467	-1.467	6	0	0	86	0	0	0
C-G	0.0	7.0729	-88.281	-81.2081	41	1	6	3948	0	4	7
C-H	-13.929	10.7523	-62.1545	-65.3312	28	4	0	2055	0	5	6
D-G	-20.7661	3.0273	-42.978	-60.7168	30	2	0	1720	0	6	4
D-H	-31.3424	-12.9138	-105.83	-150.0862	33	14	0	3729	1	14	20
E-F	-18.0592	39.2556	-315.001	-293.8045	108	8	31	14199	1	25	23
E-G	0.0	0.0	-27.8297	-27.8297	19	0	2	1171	0	1	0
E-H	-10.1663	8.5613	-100.35	-101.955	48	3	8	4050	2	12	9
F-G	0.0	0.5877	-74.3172	-73.7295	35	3	7	3148	0	11	8
F-H	-20.0211	10.7985	-34.1432	-43.3658	22	3	2	1407	0	4	1
G-H	-12.7566	30.6857	-267.36	-249.4308	104	4	25	12596	0	22	20

Interface residues

• A-B: ALA24A, ALA24B, ALA50A, ALA50B, ALA54A, ALA54B, ALA56A, ALA56B, ALA62A, ALA62B, ARG15A, ARG15B, ARG34A, ARG46A, ARG46B, ASN10A, ASN10B, ASP31A, ASP31B, ASP64A, ASP64B, GLN20A, GLN20B, GLN3A, GLN3B, GLN40A, GLN7A, GLN7B, GLU12A, GLU12B, GLU22A, GLU22B, GLU47A, GLU47B, GLU52A, GLU52B, GLU6A, GLU6B, GLY35A, GLY36A, GLY63A, GLY63B, HIS59A, HIS59B, HIS9A, HIS9B, ILE17A, ILE17B, ILE55A, ILE55B, ILE57A, ILE57B, ILE58A, ILE58B, LEU21A, LEU21B, LEU25A, LEU25B, LEU28A, LEU28B, LEU4A, LEU4B, LEU51A, LEU51B, LEU65B, LEU8A, LEU8B, LYS27A, LYS27B, LYS29A, LYS29B, LYS30A, LYS30B, LYS49A, LYS49B, LYS66B, MET19A, MET19B, MET23A, MET23B, MET32A, MET32B, MET33B, SER16A, SER16B, SER48A, SER48B, SER53A, SER53B, THR13A, THR13B, THR18A, THR18B, THR26A, THR26B, TRP44A, TRP44B, TYR60A, TYR60B, VAL11A, VAL11B, VAL14A, VAL14B, VAL43A, VAL61A, VAL61B
• A-C: ALA24C, ARG15A, ARG15C, ASN10A, GLN20A, GLN20C, GLN7A, GLU12A, GLU12C, GLU22C, GLU5A, GLU6A, HIS9A, HIS9C, ILE17A, ILE17C, LEU21A, LEU21C, LEU8A, LEU8C, MET19A, MET19C, MET1C, MET23C, SER16A, SER16C, THR13A, THR13C, THR18A, THR18C, VAL11A, VAL11C, VAL14A
• A-D: GLN20A, GLN20D, ILE17A, ILE17D, SER16D
• A-G: GLU12G, GLU5A, MET1A
• B-C: ALA24B, ALA24C, ARG15B, ASP31B, ASP31C, GLN20B, GLN20C, GLU12B, GLU22B, GLU22C, ILE17B, LEU21B, LEU21C, LEU25B, LEU25C, LEU28B, LEU28C, LYS27B, LYS27C, LYS29C, LYS30C, MET19B, MET19C, MET23B, MET23C, SER16B, THR26B, THR26C
• B-D: ARG15B, ARG15D, ASN10D, GLN20B, GLU12B, GLU12D, GLU5D, GLU6D, HIS9B, HIS9D, ILE17B, ILE17D, LEU8B, LEU8D, LYS66B, MET19B, MET19D, SER16B, SER16D, THR13B, THR13D, THR2D, VAL14D
• C-D: ALA24C, ALA24D, ALA50C, ALA50D, ALA54C, ALA54D, ALA56C, ALA56D, ALA62D, ARG15C, ARG15D, ARG34C, ARG34D, ARG46C, ARG46D, ASN10C, ASN10D, ASP31C, ASP31D, ASP64D, GLN20C, GLN20D, GLN3C, GLN3D, GLN42C, GLN45C, GLN7C, GLN7D, GLU12C, GLU12D, GLU22C, GLU22D, GLU47C, GLU47D, GLU52C, GLU52D, GLU6C, GLU6D, GLY35C, GLY35D, GLY63D, HIS59D, HIS9C, HIS9D, ILE17C, ILE17D, ILE55C, ILE55D, ILE57C, ILE57D, ILE58C, ILE58D, LEU21C, LEU21D, LEU25C, LEU25D, LEU28C, LEU28D, LEU4D, LEU51C, LEU51D, LEU65D, LEU8C, LEU8D, LYS27C, LYS27D, LYS29C, LYS29D, LYS30C, LYS30D, LYS49C, LYS49D, LYS66D, MET19C, MET19D, MET1D, MET23C, MET23D, MET32C, MET32D, MET33C, MET33D, SER16C, SER16D, SER48C, SER48D, SER53C, SER53D, THR13C, THR13D, THR18C, THR18D, THR26C, THR26D, TRP44C, TRP44D, TYR60D, VAL11C, VAL11D, VAL14C, VAL14D, VAL43C, VAL61D
• C-E: GLN3C, GLU5C, LEU4C, MET1C, THR2C, TYR60E
• C-G: ALA54C, ALA56C, ALA62G, ARG15C, ARG15G, ASN10C, ASN10G, ASP64G, GLN3C, GLN3G, GLN7C, GLN7G, GLU12C, GLU12G, GLU5C, GLU5G, GLU6C, GLU6G, GLY63G, HIS59G, HIS9C, HIS9G, ILE55C, ILE57C, ILE58C, ILE58G, LEU4C, LEU4G, LEU65G, LEU8C, LEU8G, MET1C, SER53C, THR2C, THR2G, TYR60G, VAL11C, VAL11G, VAL14C, VAL14G, VAL61G
• C-H: ARG46H, ASN10C, ASP31H, ASP37H, GLN3C, GLN40H, GLN42H, GLN45H, GLN7C, GLU47H, GLU5C, GLU6C, GLY35H, GLY36H, LEU25H, LEU28H, LEU4C, LEU51H, LEU8C, LYS29H, LYS39H, MET1C, MET32H, SER48H, THR2C, TRP44H, TYR41H, VAL43H
• D-G: ALA50D, ARG34D, ARG46D, ASN10G, ASP31D, ASP37D, GLN3G, GLN40D, GLN42D, GLN45D, GLN7G, GLU47D, GLU5G, GLU6G, GLY35D, GLY36D, LEU25D, LEU28D, LEU4G, LEU51D, LEU8G, LYS29D, LYS39D, MET32D, MET33D, SER48D, THR2G, TRP44D, TYR41D, VAL43D
• D-H: ALA38D, ALA38H, ARG34D, ARG34H, ASP31D, ASP31H, ASP37D, ASP37H, GLN40D, GLN40H, GLN42D, GLY35D, GLY35H, GLY36D, GLY36H, LEU28D, LEU28H, LYS27D, LYS27H, LYS29D, LYS29H, LYS30D, LYS30H, LYS39D, LYS39H, MET32D, MET32H, MET33D, MET33H, TRP44D, TRP44H, TYR41D, TYR41H
• E-F: ALA24E, ALA24F, ALA38E, ALA50E, ALA50F, ALA54E, ALA54F, ALA56E, ALA56F, ALA62E, ALA62F, ARG15E, ARG15F, ARG34E, ARG46E, ASN10E, ASN10F, ASP31E, ASP31F, ASP37E, ASP64E, ASP64F, GLN20E, GLN20F, GLN3E, GLN3F, GLN40E, GLN7E, GLN7F, GLU12E, GLU12F, GLU22E, GLU22F, GLU47E, GLU47F, GLU52E, GLU52F, GLU6E, GLU6F, GLY35E, GLY36E, GLY63E, GLY63F, HIS59E, HIS59F, HIS9E, HIS9F, ILE17E, ILE17F, ILE55E, ILE55F, ILE57E, ILE57F, ILE58E, ILE58F, LEU21E, LEU21F, LEU25E, LEU25F, LEU28E, LEU28F, LEU4F, LEU51E, LEU51F, LEU65F, LEU8E, LEU8F, LYS27E, LYS27F, LYS29E, LYS29F, LYS30E, LYS30F, LYS49E, LYS49F, LYS66F, MET19E, MET19F, MET1F, MET23E, MET23F, MET32E, MET32F, MET33E, SER16E, SER16F, SER48E, SER48F, SER53E, SER53F, THR13E, THR13F, THR18E, THR18F, THR26E, THR26F, THR2F, TRP44E, TYR41E, TYR60E, TYR60F, VAL11E, VAL11F, VAL14E, VAL14F, VAL43E, VAL61E, VAL61F
• E-G: ALA54E, ALA54G, ALA56E, ALA56G, ALA62E, ALA62G, GLY63E, GLY63G, HIS59G, ILE57E, ILE57G, ILE58E, ILE58G, SER53E, SER53G, TYR60E, TYR60G, VAL61E, VAL61G
• E-H: ALA50E, ALA50H, ALA54E, ALA54H, ALA56E, ALA56H, ALA62H, ARG15H, ARG46E, ARG46H, ASP64H, GLN42H, GLN45E, GLN45H, GLU22E, GLU47E, GLU47H, GLU52E, GLU52H, GLY63E, GLY63H, HIS59E, HIS59H, ILE55E, ILE55H, ILE57E, ILE57H, ILE58E, ILE58H, LEU51E, LEU51H, LEU65E, LEU65H, LYS49E, LYS49H, LYS66H, MET32H, SER48E, SER48H, SER53E, SER53H, TRP44E, TRP44H, TYR60E, TYR60H, VAL43H, VAL61E, VAL61H
• F-G: ALA50F, ALA50G, ALA54F, ALA54G, ALA56F, ALA56G, ARG46G, GLN45G, GLU22G, GLU47F, GLU47G, GLU52F, GLU52G, GLY63F, HIS59F, HIS59G, ILE55F, ILE55G, ILE57F, ILE57G, ILE58F, ILE58G, LEU51F, LEU51G, LYS49F, LYS49G, SER48F, SER48G, SER53F, SER53G, TRP44G, TYR60F, TYR60G, VAL61F, VAL61G
• F-H: ALA54F, ALA54H, ALA56F, ALA56H, ALA62F, ALA62H, ASP64F, ASP64H, GLY63F, GLY63H, ILE57F, ILE57H, ILE58F, ILE58H, LEU65F, LEU65H, SER53F, SER53H, TYR60F, TYR60H, VAL61F, VAL61H
• G-H: ALA24G, ALA24H, ALA50G, ALA50H, ALA54G, ALA54H, ALA62G, ALA62H, ARG15G, ARG15H, ARG34H, ARG46G, ARG46H, ASN10G, ASN10H, ASP31G, ASP31H, ASP64G, ASP64H, GLN20G, GLN20H, GLN3G, GLN3H, GLN45G, GLN7G, GLN7H, GLU12G, GLU12H, GLU22G, GLU22H, GLU47G, GLU47H, GLU52G, GLU52H, GLU6G, GLU6H, GLY35H, GLY63G, GLY63H, HIS59G, HIS59H, HIS9G, HIS9H, ILE17G, ILE17H, ILE55G, ILE55H, ILE57G, ILE57H, ILE58G, ILE58H, LEU21G, LEU21H, LEU25G, LEU25H, LEU28G, LEU28H, LEU4G, LEU4H, LEU51G, LEU51H, LEU65H, LEU8G, LEU8H, LYS27G, LYS27H, LYS29G, LYS29H, LYS30G, LYS30H, LYS49G, LYS49H, LYS66H, MET19G, MET19H, MET23G, MET23H, MET32G, MET32H, MET33G, MET33H, SER16G, SER16H, SER48G, SER48H, SER53G, SER53H, THR13G, THR13H, THR18G, THR18H, THR26G, THR26H, TRP44G, TRP44H, TYR60G, TYR60H, VAL11G, VAL11H, VAL14G, VAL14H, VAL43H, VAL61G, VAL61H