3G5G

crystal structure of the wild-type restriction-modification controller protein c.esp1396i

• Total interactions analyzed: 91
• Total true interactions: 28
• Strongest Interaction:
  • Chains: M-N
  • Int. Res.: 81
  • Norm. En. per Res.: -4.0738
• Hub Node: E(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	-34.2041	1.7876	-239.783	-272.1995	79	23	20	11303	0	16	17
B-E	0.0	-13.5066	-43.9455	-57.4521	26	0	1	1370	0	11	10
B-J	0.0	-4.8285	-0.9624	-5.7909	10	0	0	179	0	4	4
C-D	-49.5252	2.0377	-258.687	-306.1746	79	25	20	11731	0	16	15
C-I	0.0	-19.0733	-53.258	-72.3313	34	5	0	2551	0	19	13
C-J	0.0	0.0	-23.1718	-23.1718	24	0	0	1105	0	8	8
D-I	0.0	0.0	-0.0153	-0.0153	2	0	0	11	0	1	0
D-J	-19.0213	-2.1558	-37.8343	-59.0114	22	2	0	1303	0	7	7
E-F	-32.7323	-2.8133	-218.177	-253.7226	81	22	20	11254	0	18	14
E-J	0.0	-3.7951	-21.9998	-25.7949	24	2	1	1542	0	15	18
E-K	0.0	5.2177	-4.5199	0.6978	6	0	0	210	0	1	2
E-L	0.0	2.0246	-14.6971	-12.6725	20	0	0	852	0	7	6
F-L	-10.7993	-30.234	-50.4732	-91.5065	33	2	0	2146	2	13	12
G-H	-34.9887	-7.1718	-242.493	-284.6535	79	18	19	11144	1	17	15
G-I	0.0	-39.6064	-50.5823	-90.1887	35	3	0	2465	2	16	15
G-J	0.0	0.0	-0.0266	-0.0266	2	0	0	12	0	1	0
H-I	0.0	4.0161	-28.0009	-23.9848	26	1	0	1296	0	8	7
H-J	-11.5746	-2.501	-34.8046	-48.8802	18	0	0	1194	0	6	7
I-J	-52.2513	1.6908	-268.149	-318.7095	80	20	21	11730	0	19	16
I-M	0.0	0.0	-0.1545	-0.1545	3	0	0	36	0	1	2
I-N	0.0	0.0	-10.6334	-10.6334	16	1	0	569	0	3	6
J-N	-12.661	-28.5571	-51.1149	-92.333	33	1	0	2039	3	18	9
K-L	-51.3911	-4.5253	-247.947	-303.8634	79	11	20	11373	0	14	17
K-M	0.0	-5.0899	-25.652	-30.7419	26	8	0	1759	0	16	11
K-N	0.0	0.0	-35.9845	-35.9845	23	2	0	1578	0	4	4
L-M	0.0	0.0	-0.0033	-0.0033	2	0	0	4	0	0	0
L-N	0.0	0.0	-1.6702	-1.6702	5	0	0	125	0	0	2
M-N	-55.0773	-1.0224	-273.882	-329.9817	81	19	20	11692	0	12	17

Interface residues

• A-B: ARG46A, ARG46B, ASN44A, ASN44B, ASN47A, ASN47B, ASP64A, ASP64B, GLU2A, GLU2B, GLU54A, GLU54B, GLU69A, GLU69B, GLU74A, GLU74B, ILE13A, ILE13B, ILE41A, ILE41B, ILE50A, ILE50B, ILE56B, ILE72A, ILE72B, ILE75A, ILE75B, LEU48A, LEU48B, LEU53A, LEU53B, LEU55A, LEU55B, LEU5A, LEU5B, LEU6A, LEU6B, LEU71A, LEU71B, LEU76A, LEU76B, LYS51A, LYS51B, LYS73A, LYS73B, LYS8A, LYS8B, MET57A, MET57B, MET70A, MET70B, PHE4A, PHE4B, PHE67A, PHE67B, PHE68A, PHE68B, SER10A, SER10B, SER3A, SER3B, SER45A, SER45B, SER52A, SER52B, SER63A, SER63B, SER7A, SER7B, THR49A, THR49B, TYR37A, TYR37B, VAL65A, VAL65B, VAL66A, VAL66B, VAL9A, VAL9B
• B-E: ALA28B, ALA28E, ARG35B, ARG35E, ASP26B, ASP26E, GLN24B, GLN24E, GLU25B, GLU25E, GLU61B, GLU61E, GLY21B, GLY21E, LEU27B, LEU27E, LYS20B, LYS20E, LYS30B, LYS30E, MET22B, MET22E, THR23B, THR23E, TYR29B, TYR29E
• B-J: ARG43J, ASP64B, GLU61B, LYS20B, LYS58B, SER39J, SER45J, SER63B, THR36J, VAL62B
• C-D: ARG46C, ARG46D, ASN44C, ASN44D, ASN47C, ASN47D, ASP64C, ASP64D, GLU2C, GLU54C, GLU54D, GLU69C, GLU69D, GLU74C, GLU74D, ILE13C, ILE13D, ILE41C, ILE41D, ILE50C, ILE50D, ILE56D, ILE72C, ILE72D, ILE75C, ILE75D, LEU48C, LEU48D, LEU53C, LEU53D, LEU55C, LEU55D, LEU5C, LEU5D, LEU6C, LEU6D, LEU71C, LEU71D, LEU76C, LEU76D, LYS51C, LYS51D, LYS73C, LYS73D, LYS77C, LYS8C, LYS8D, MET57C, MET57D, MET70C, MET70D, PHE4C, PHE4D, PHE67C, PHE67D, PHE68C, PHE68D, SER10C, SER10D, SER3C, SER3D, SER45C, SER45D, SER52C, SER52D, SER63C, SER63D, SER7C, SER7D, THR49C, THR49D, TYR37C, TYR37D, VAL65C, VAL65D, VAL66C, VAL66D, VAL9C, VAL9D
• C-I: ARG17C, ARG35C, ARG43C, ARG46C, ASN32I, ASN44C, ASP64I, GLN24C, GLU25C, GLU2C, GLU42C, GLU54I, GLU61I, GLU69I, GLY40C, GLY59I, ILE56I, LEU53I, LEU55I, LEU60I, LYS14C, LYS20I, LYS30I, LYS58I, MET57I, PHE67I, SER39C, SER3C, SER45C, SER63I, THR36C, VAL62I, VAL65I, VAL66I
• C-J: ARG43C, ARG46C, ASN44C, ASN47C, ASP79J, GLU2C, GLU2J, GLY40C, HIS78J, ILE72J, ILE75J, LEU48C, LEU5J, LEU6C, LEU76J, LYS77J, LYS8J, PHE4J, SER3C, SER3J, SER45C, THR36C, THR49C, TYR37C
• D-I: LYS51D, VAL65I
• D-J: ARG46D, ASN47D, ASP79J, GLU54D, GLU74J, HIS78J, ILE41D, ILE50D, ILE56D, ILE75J, LEU33D, LEU48D, LEU53D, LEU55D, LEU76J, LYS51D, LYS77J, PHE4J, SER31D, SER52D, THR49D, TYR37D
• E-F: ARG46E, ARG46F, ASN44E, ASN44F, ASN47E, ASN47F, ASP64E, ASP64F, GLU2E, GLU2F, GLU54E, GLU54F, GLU69E, GLU69F, GLU74E, GLU74F, HIS78E, ILE13E, ILE13F, ILE41E, ILE41F, ILE50E, ILE50F, ILE56F, ILE72E, ILE72F, ILE75E, ILE75F, LEU48E, LEU48F, LEU53E, LEU53F, LEU55E, LEU55F, LEU5E, LEU5F, LEU6E, LEU6F, LEU71E, LEU71F, LEU76E, LEU76F, LYS51E, LYS51F, LYS73E, LYS73F, LYS77E, LYS8E, LYS8F, MET57E, MET57F, MET70E, MET70F, PHE4E, PHE4F, PHE67E, PHE67F, PHE68E, PHE68F, SER10E, SER10F, SER3E, SER3F, SER45E, SER45F, SER52E, SER52F, SER63E, SER63F, SER7E, SER7F, THR49E, THR49F, TYR37E, TYR37F, VAL65E, VAL65F, VAL66E, VAL66F, VAL9E, VAL9F
• E-J: ARG17E, ARG17J, ASP26J, GLN24E, GLN24J, GLU19E, GLU19J, GLU25J, GLY21E, GLY21J, ILE16E, LEU18E, LEU18J, LYS14E, LYS14J, LYS15E, LYS15J, LYS20E, LYS20J, MET22E, MET22J, PHE11E, THR23E, THR23J
• E-K: HIS78E, LEU76E, LYS51K, LYS77E, SER52K, THR49K
• E-L: ARG35L, ARG43L, ARG46L, ASN44L, ASN47L, GLU2E, GLU2L, HIS78E, ILE75E, LEU48L, LEU5E, LEU6L, LEU76E, LYS77E, LYS8E, PHE4E, SER3E, SER45L, THR36L, TYR37L
• F-L: ARG17L, ARG35L, ARG43L, ARG46L, ASN44L, ASP64F, GLN24L, GLU25L, GLU2L, GLU42L, GLU54F, GLU61F, GLU69F, GLY40L, GLY59F, ILE56F, LEU18L, LEU53F, LEU55F, LEU60F, LYS14L, LYS20F, LYS30F, LYS58F, MET57F, PHE67F, PHE68F, SER39L, SER45L, SER63F, VAL62F, VAL65F, VAL66F
• G-H: ARG46G, ARG46H, ASN44G, ASN44H, ASN47G, ASN47H, ASP64G, ASP64H, GLU2G, GLU2H, GLU54G, GLU54H, GLU69G, GLU69H, GLU74G, GLU74H, ILE13G, ILE13H, ILE41G, ILE41H, ILE50G, ILE50H, ILE56H, ILE72G, ILE72H, ILE75G, ILE75H, LEU48G, LEU48H, LEU53G, LEU53H, LEU55G, LEU55H, LEU5G, LEU5H, LEU6G, LEU6H, LEU71G, LEU71H, LEU76G, LEU76H, LYS51G, LYS51H, LYS73G, LYS73H, LYS8G, LYS8H, MET57G, MET57H, MET70G, MET70H, PHE4G, PHE4H, PHE67G, PHE67H, PHE68G, PHE68H, SER10G, SER10H, SER3G, SER3H, SER45G, SER45H, SER52G, SER52H, SER63G, SER63H, SER7G, SER7H, THR49G, THR49H, TYR37G, TYR37H, VAL65G, VAL65H, VAL66G, VAL66H, VAL9G, VAL9H
• G-I: ARG17I, ARG35I, ARG43I, ARG46I, ASN32G, ASN44I, ASP64G, GLN24I, GLU25I, GLU2I, GLU42I, GLU54G, GLU61G, GLU69G, GLY40I, GLY59G, ILE38I, ILE56G, LEU53G, LEU55G, LEU60G, LYS14I, LYS30G, LYS58G, MET57G, PHE67G, PHE68G, SER39I, SER3I, SER45I, SER63G, THR36I, VAL62G, VAL65G, VAL66G
• G-J: LYS51J, VAL65G
• H-I: ARG35I, ARG43I, ARG46I, ASN44I, ASN47I, ASP34I, ASP79H, GLU2H, GLU2I, GLY40I, HIS78H, ILE75H, LEU48I, LEU5H, LEU6I, LEU76H, LYS77H, LYS8H, PHE4H, SER3H, SER3I, SER45I, SER7H, THR36I, THR49I, TYR37I
• H-J: ARG46J, ASN47J, ASP79H, GLU54J, HIS78H, ILE41J, ILE50J, ILE75H, LEU33J, LEU48J, LEU53J, LEU55J, LEU76H, LYS51J, LYS77H, SER52J, THR49J, TYR37J
• I-J: ARG46I, ARG46J, ASN44I, ASN44J, ASN47I, ASN47J, ASP64I, ASP64J, GLU2I, GLU2J, GLU54I, GLU54J, GLU69I, GLU69J, GLU74I, GLU74J, ILE13I, ILE13J, ILE41I, ILE41J, ILE50I, ILE50J, ILE56J, ILE72I, ILE72J, ILE75I, ILE75J, LEU48I, LEU48J, LEU53I, LEU53J, LEU55I, LEU55J, LEU5I, LEU5J, LEU6I, LEU6J, LEU71I, LEU71J, LEU76I, LEU76J, LYS51I, LYS51J, LYS73I, LYS73J, LYS77J, LYS8I, LYS8J, MET57I, MET57J, MET70I, MET70J, PHE4I, PHE4J, PHE67I, PHE67J, PHE68I, PHE68J, SER10I, SER10J, SER3I, SER3J, SER45I, SER45J, SER52I, SER52J, SER63I, SER63J, SER7I, SER7J, THR49I, THR49J, TYR37I, TYR37J, VAL65I, VAL65J, VAL66I, VAL66J, VAL9I, VAL9J
• I-M: HIS78I, LEU76I, LYS51M
• I-N: ARG43N, ARG46N, ASN44N, ASN47N, GLU2I, HIS78I, ILE75I, LEU5I, LEU6N, LEU76I, LYS77I, LYS8I, PHE4I, SER3I, SER45N, THR36N
• J-N: ARG17N, ARG35N, ARG43N, ARG46N, ASN32J, ASN44N, ASP64J, GLN24N, GLU25N, GLU42N, GLU54J, GLU61J, GLY40N, GLY59J, ILE56J, LEU18N, LEU53J, LEU55J, LEU60J, LYS14N, LYS20J, LYS30J, LYS58J, MET57J, PHE67J, PHE68J, SER39N, SER45N, SER63J, THR36N, VAL62J, VAL65J, VAL66J
• K-L: ARG46K, ARG46L, ASN44K, ASN44L, ASN47K, ASN47L, ASP64K, ASP64L, GLU2K, GLU2L, GLU54K, GLU54L, GLU69K, GLU69L, GLU74K, GLU74L, ILE13K, ILE13L, ILE41K, ILE41L, ILE50K, ILE50L, ILE56L, ILE72K, ILE72L, ILE75K, ILE75L, LEU48K, LEU48L, LEU53K, LEU53L, LEU55K, LEU55L, LEU5K, LEU5L, LEU6K, LEU6L, LEU71K, LEU71L, LEU76K, LEU76L, LYS51K, LYS51L, LYS73K, LYS73L, LYS8K, LYS8L, MET57K, MET57L, MET70K, MET70L, PHE4K, PHE4L, PHE67K, PHE67L, PHE68K, PHE68L, SER10K, SER10L, SER3K, SER3L, SER45K, SER45L, SER52K, SER52L, SER63K, SER63L, SER7K, SER7L, THR49K, THR49L, TYR37K, TYR37L, VAL65K, VAL65L, VAL66K, VAL66L, VAL9K, VAL9L
• K-M: ARG35K, ARG43K, ARG46K, ASN44K, ASN47K, ASP64M, GLU25K, GLU2K, GLU42K, GLU54M, GLU61M, GLU69M, GLY40K, ILE41K, LEU60M, LYS20M, LYS58M, MET57M, PHE67M, SER39K, SER45K, SER63M, THR36K, VAL62M, VAL65M, VAL66M
• K-N: ARG43K, ARG46K, ASN44K, ASN47K, ASP34K, GLU2K, GLU74N, GLY40K, ILE41K, ILE72N, ILE75N, LEU48K, LEU5N, LEU6K, LEU76N, LYS73N, LYS77N, LYS8N, PHE4N, SER3N, SER45K, THR36K, TYR37K
• L-M: LYS51L, VAL65M
• L-N: ILE72N, LEU76N, LYS51L, LYS77N, THR49L
• M-N: ARG46M, ARG46N, ASN44M, ASN44N, ASN47M, ASN47N, ASP64M, ASP64N, GLU2M, GLU54M, GLU54N, GLU69M, GLU69N, GLU74M, GLU74N, ILE13M, ILE13N, ILE41M, ILE41N, ILE50M, ILE50N, ILE56M, ILE56N, ILE72M, ILE72N, ILE75M, ILE75N, LEU48M, LEU48N, LEU53M, LEU53N, LEU55M, LEU55N, LEU5M, LEU5N, LEU6M, LEU6N, LEU71M, LEU71N, LEU76M, LEU76N, LYS51M, LYS51N, LYS58M, LYS73M, LYS73N, LYS8M, LYS8N, MET1M, MET57M, MET57N, MET70M, MET70N, PHE4M, PHE4N, PHE67M, PHE67N, PHE68M, PHE68N, SER10M, SER10N, SER3M, SER3N, SER45M, SER45N, SER52M, SER52N, SER63M, SER63N, SER7M, SER7N, THR49M, THR49N, TYR37M, TYR37N, VAL65M, VAL65N, VAL66M, VAL66N, VAL9M, VAL9N