1R4P

shiga toxin type 2

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 72
  • Norm. En. per Res.: -5.1163
• Hub Node: A(5)

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	-12.1743	0.0	-85.0836	-97.2579	42	3	3	3847	0	3	3
A-C	-41.2839	-16.4244	-138.888	-196.5963	49	7	3	5064	2	5	5
A-D	-32.9007	-1.2776	-153.162	-187.3403	69	15	3	6268	0	9	12
A-E	-26.6655	-7.1384	-198.904	-232.7079	69	8	2	7077	0	12	10
A-F	-28.163	7.9471	-134.913	-155.1288	52	3	1	4854	0	4	5
B-C	-71.5887	-40.1821	-235.931	-347.7019	70	9	4	8419	3	12	10
B-F	-73.122	-35.2792	-251.833	-360.2342	73	12	4	8464	3	11	10
C-D	-82.324	-30.6468	-208.805	-321.7758	68	13	4	7697	3	13	10
C-E	0.0	0.0	-0.0006	-0.0006	2	0	0	2	0	0	0
D-E	-79.0986	-3.0499	-252.721	-334.8694	66	15	3	8530	1	11	10
E-F	-73.9646	-33.7657	-260.643	-368.3733	72	10	4	8679	3	12	10

Interface residues

• A-B: ALA281A, ALA282A, ALA42B, ARG266A, ARG287A, ARG32B, ASN272A, ASN286A, ASN34B, ASN68B, ASN69B, ASP265A, ASP70B, GLN290A, GLN36B, GLN40B, GLN43B, GLY46B, ILE269A, ILE271A, LEU285A, LEU292A, LEU35B, LEU38B, LEU39B, LEU44B, LYS270A, LYS288A, LYS7B, MET47B, PHE284A, PHE291A, PRO37B, SER278A, SER289A, SER41B, THR295A, THR45B, TRP276A, TRP33B, TYR13B, TYR293A
• A-C: ALA281A, ALA282A, ALA283A, ALA42C, ARG266A, ARG287A, ARG32C, ASN279A, ASN286A, ASN34C, ASN68C, ASN69C, ASP265A, ASP70C, GLN261A, GLN36C, GLN40C, GLN43C, GLU277A, GLY264A, GLY296A, GLY46C, ILE262A, ILE269A, ILE271A, LEU285A, LEU292A, LEU35C, LEU38C, LEU39C, LEU44C, LYS288A, LYS7C, MET47C, PHE284A, PHE67C, PRO267A, PRO37C, SER278A, SER289A, SER41C, THR263A, THR280A, THR45C, THR48C, TRP33C, TYR13C, TYR293A, VAL268A
• A-D: ALA281A, ALA282A, ALA283A, ALA42D, ARG119A, ARG125A, ARG204A, ARG222A, ARG287A, ARG32D, ASN201A, ASN279A, ASN286A, ASN34D, ASN68D, ASN69D, ASP197A, ASP70D, GLN118A, GLN36D, GLN40D, GLN43D, GLU259A, GLU277A, GLU9D, GLY221A, GLY264A, GLY296A, GLY46D, GLY6D, ILE262A, ILE8D, LEU200A, LEU285A, LEU292A, LEU35D, LEU38D, LEU39D, LEU44D, LYS288A, LYS297A, LYS5D, LYS7D, MET47D, PHE10D, PHE19D, PHE284A, PRO193A, PRO37D, SER113A, SER11D, SER278A, SER31D, SER41D, THR115A, THR116A, THR199A, THR263A, THR280A, THR294A, THR295A, THR45D, THR48D, TRP33D, TYR114A, TYR13D, TYR293A, VAL196A, VAL220A
• A-E: ALA281A, ALA282A, ALA283A, ALA42E, ARG204A, ARG219A, ARG222A, ARG287A, ARG32E, ASN201A, ASN226A, ASN279A, ASN286A, ASN34E, ASN68E, ASN69E, ASP17E, ASP197A, ASP24E, ASP70E, GLN290A, GLN36E, GLN40E, GLN43E, GLU124A, GLU277A, GLU9E, GLY194A, GLY221A, GLY25E, GLY296A, GLY46E, GLY6E, ILE223A, ILE8E, LEU198A, LEU285A, LEU292A, LEU35E, LEU38E, LEU39E, LEU44E, LYS22E, LYS288A, LYS297A, LYS7E, MET47E, PHE10E, PHE19E, PHE284A, PHE291A, PRO193A, PRO37E, SER126A, SER224A, SER289A, SER31E, SER41E, THR280A, THR294A, THR295A, THR45E, THR48E, TRP276A, TRP33E, TYR13E, TYR293A, VAL220A, VAL49E
• A-F: ALA281A, ALA283A, ALA42F, ARG219A, ARG222A, ARG287A, ARG32F, ASN272A, ASN273A, ASN286A, ASN34F, ASN68F, ASN69F, ASP17F, ASP216A, ASP70F, GLN290A, GLN36F, GLN40F, GLN43F, GLY221A, GLY296A, GLY46F, ILE271A, LEU285A, LEU292A, LEU35F, LEU38F, LEU44F, LYS270A, LYS288A, LYS297A, LYS7F, MET47F, PHE19F, PHE284A, PHE291A, PHE67F, PRO37F, SER289A, SER31F, SER41F, THR274A, THR280A, THR294A, THR295A, THR45F, THR48F, TRP276A, TRP33F, TYR13F, TYR293A
• B-C: ALA42B, ALA42C, ALA63B, ARG32B, ARG32C, ASN14C, ASN34B, ASN34C, ASN68B, ASN69B, ASP16C, ASP17C, ASP2B, ASP70B, GLN36B, GLN36C, GLN40B, GLN40C, GLN43B, GLN43C, GLN66B, GLU15C, GLU27C, GLU64B, GLU9C, GLY46C, GLY61B, ILE51B, ILE8B, ILE8C, LEU35B, LEU35C, LEU38B, LEU38C, LEU39B, LEU39C, LEU44B, LEU44C, LYS12C, LYS22C, LYS52B, LYS7C, MET47B, MET47C, PHE10C, PHE19C, PHE62B, PHE67B, PRO37B, PRO37C, SER11C, SER31B, SER41B, SER41C, SER53B, SER54B, THR18C, THR20C, THR30B, THR45B, THR45C, THR48B, THR50B, THR55B, TRP33B, TRP33C, TYR13C, VAL21C, VAL49B, VAL65B
• B-F: ALA1F, ALA42B, ALA42F, ALA63F, ARG32B, ARG32F, ASN14B, ASN34B, ASN34F, ASN68F, ASN69F, ASP16B, ASP17B, ASP2F, ASP70F, GLN36B, GLN36F, GLN40B, GLN40F, GLN43B, GLN43F, GLN66F, GLU15B, GLU27B, GLU64F, GLU9B, GLY46B, GLY46F, GLY61F, ILE51F, ILE8B, ILE8F, LEU35B, LEU35F, LEU38B, LEU38F, LEU39B, LEU39F, LEU44B, LEU44F, LYS12B, LYS22B, LYS52F, LYS7B, MET47B, MET47F, PHE10B, PHE19B, PHE62F, PHE67F, PRO37B, PRO37F, SER11B, SER31B, SER31F, SER41B, SER41F, SER53F, SER54F, THR18B, THR20B, THR30F, THR45B, THR45F, THR48F, THR50F, THR55F, TRP33B, TRP33F, TYR13B, VAL21B, VAL49F, VAL65F
• C-D: ALA42C, ALA42D, ALA63C, ARG32C, ARG32D, ASN14D, ASN34C, ASN34D, ASN68C, ASN69C, ASP16D, ASP17D, ASP2C, ASP70C, GLN36C, GLN36D, GLN40C, GLN40D, GLN43C, GLN43D, GLN66C, GLU15D, GLU27D, GLU64C, GLU9D, GLY46C, GLY46D, ILE8C, ILE8D, LEU35C, LEU35D, LEU38C, LEU38D, LEU39C, LEU39D, LEU44C, LEU44D, LYS12D, LYS22D, LYS52C, LYS5C, LYS7D, MET47C, PHE10D, PHE19D, PHE62C, PHE67C, PRO37C, PRO37D, SER11D, SER31C, SER41C, SER41D, SER53C, SER54C, THR18D, THR20D, THR30C, THR45C, THR45D, THR48C, THR50C, TRP33C, TRP33D, TYR13D, VAL21D, VAL49C, VAL65C
• C-E: ASN34C, TRP33E
• D-E: ALA1D, ALA42D, ALA63D, ARG32D, ASN14E, ASN34D, ASN68D, ASN69D, ASP16E, ASP17E, ASP2D, ASP70D, GLN36D, GLN36E, GLN40D, GLN40E, GLN43D, GLN43E, GLN66D, GLU15E, GLU27E, GLU64D, GLU9E, GLY46E, GLY61D, ILE8D, ILE8E, LEU35D, LEU35E, LEU38D, LEU38E, LEU39D, LEU39E, LEU44D, LEU44E, LYS12E, LYS22E, LYS52D, LYS7E, MET47D, PHE10E, PHE19E, PHE62D, PHE67D, PRO37D, PRO37E, SER11E, SER31D, SER41D, SER41E, SER53D, SER54D, THR18E, THR20E, THR30D, THR45D, THR45E, THR48D, THR50D, THR55D, TRP33D, TRP33E, TYR13E, VAL21E, VAL49D, VAL65D
• E-F: ALA1E, ALA42E, ALA42F, ALA63E, ARG32E, ARG32F, ASN14F, ASN34E, ASN34F, ASN68E, ASN69E, ASP16F, ASP17F, ASP2E, ASP70E, GLN36E, GLN36F, GLN40E, GLN40F, GLN43E, GLN43F, GLN66E, GLU15F, GLU27F, GLU64E, GLU9F, GLY46E, GLY46F, GLY61E, ILE51E, ILE8E, ILE8F, LEU35E, LEU35F, LEU38E, LEU38F, LEU39E, LEU39F, LEU44E, LEU44F, LYS12F, LYS22F, LYS52E, LYS7F, MET47E, MET47F, PHE10F, PHE19F, PHE62E, PHE67E, PRO37E, PRO37F, SER11F, SER31F, SER41E, SER41F, SER53E, SER54E, THR18F, THR20F, THR30E, THR45E, THR45F, THR48E, THR50E, THR55E, TRP33E, TRP33F, TYR13F, VAL21F, VAL49E, VAL65E