1MJQ

methionine repressor mutant (q44k) plus corepressor (s- adenosyl methionine) complexed to an altered met consensus operator sequence

• Total interactions analyzed: 66
• Total true interactions: 10
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 113
  • Norm. En. per Res.: -5.2098
• 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	-122.1818	6.5766	-435.807	-551.4122	108	30	31	19188	0	22	18
A-C	0.0	12.2118	-78.9638	-66.752	47	5	4	4587	0	16	23
A-D	-9.7142	3.1473	-12.533	-19.0999	17	4	0	854	0	1	6
B-C	-5.7848	0.7153	-2.6386	-7.7081	15	4	0	614	0	1	7
C-D	-140.2506	6.5886	-455.043	-588.705	113	32	31	19557	0	21	17
G-H	-124.1177	6.4107	-428.588	-546.2951	107	32	31	19178	0	22	18
G-I	0.0	12.1239	-76.9337	-64.8098	48	4	4	4471	0	16	23
G-J	-10.1028	2.8983	-13.7957	-21.0002	17	2	0	728	0	1	6
H-I	0.0	1.2603	-7.3526	-6.0923	15	0	0	533	0	2	7
I-J	-140.2747	6.7524	-454.227	-587.7492	113	34	31	19662	0	23	18

Interface residues

• A-B: ALA12A, ALA12B, ALA60A, ALA60B, ALA64A, ALA64B, ARG40A, ARG40B, ARG42A, ARG42B, ARG43A, ARG43B, ARG80B, ASN53A, ASN53B, ASP38A, ASP38B, CYS58A, CYS58B, GLN20A, GLN20B, GLN68A, GLN68B, GLU103B, GLU13A, GLU13B, GLU19A, GLU19B, GLU2A, GLU39A, GLU39B, GLU55A, GLU55B, GLU59A, GLU59B, GLY67A, GLY67B, HIS63A, HIS63B, ILE24A, ILE24B, ILE28A, ILE28B, ILE35A, ILE35B, ILE8A, ILE8B, LEU30A, LEU30B, LEU33A, LEU33B, LEU36A, LEU36B, LEU56A, LEU56B, LEU57A, LEU57B, LEU62A, LEU62B, LEU70A, LEU70B, LYS16B, LYS17A, LYS17B, LYS22A, LYS22B, LYS23A, LYS23B, LYS31A, LYS31B, LYS34A, LYS34B, PHE61A, PHE61B, PHE65A, PHE65B, PRO10A, PRO10B, PRO29A, PRO29B, PRO71A, PRO71B, SER18A, SER18B, SER27A, SER27B, SER54A, SER54B, SER9A, SER9B, THR25A, THR25B, THR37A, THR37B, THR52A, THR52B, THR66A, THR66B, TYR104A, TYR104B, TYR11A, TYR11B, VAL21A, VAL21B, VAL26A, VAL26B, VAL32A, VAL32B
• A-C: ALA51A, ALA51C, ARG40A, ARG40C, ARG42A, ARG42C, ARG43A, ASN46A, ASN46C, ASN47A, ASN47C, ASN53A, ASN53C, ASP38A, ASP38C, GLU39A, GLU39C, ILE28A, ILE28C, ILE35A, ILE35C, LEU30A, LEU30C, LEU33A, LEU33C, LEU36A, LEU36C, LEU48A, LEU48C, LYS31A, LYS31C, LYS34A, LYS34C, LYS44A, LYS44C, PRO29A, PRO29C, THR37A, THR37C, THR41A, THR41C, THR52A, THR52C, VAL32A, VAL32C, VAL45A, VAL45C
• A-D: ALA51A, ARG43A, ARG49A, ASN46A, ASN47A, GLN20D, GLU19D, ILE24D, LEU48A, LYS17D, LYS22D, LYS23D, LYS44A, SER18D, THR25D, VAL21D, VAL45A
• B-C: ALA51C, ARG43C, ASN46C, ASN47C, GLN20B, GLU19B, ILE24B, LEU48C, LYS17B, LYS22B, LYS23B, LYS44C, SER18B, VAL21B, VAL45C
• C-D: ALA12C, ALA12D, ALA60C, ALA60D, ALA64C, ALA64D, ARG40C, ARG40D, ARG42C, ARG42D, ARG43C, ARG43D, ARG80D, ASN53C, ASN53D, ASP38C, ASP38D, CYS58C, CYS58D, GLN20C, GLN20D, GLN68C, GLN68D, GLU103C, GLU103D, GLU13C, GLU13D, GLU19C, GLU19D, GLU39C, GLU39D, GLU55C, GLU55D, GLU59C, GLU59D, GLU6C, GLU83C, GLY67C, GLY67D, HIS63C, HIS63D, ILE24C, ILE24D, ILE28C, ILE28D, ILE35C, ILE35D, ILE8C, ILE8D, LEU30C, LEU30D, LEU33C, LEU33D, LEU36C, LEU36D, LEU56C, LEU56D, LEU57C, LEU57D, LEU62C, LEU62D, LEU70C, LEU70D, LYS16C, LYS16D, LYS17C, LYS17D, LYS22C, LYS22D, LYS23C, LYS23D, LYS31C, LYS31D, LYS34C, LYS34D, PHE61C, PHE61D, PHE65C, PHE65D, PRO10C, PRO10D, PRO29C, PRO29D, PRO71C, PRO71D, SER18C, SER18D, SER27C, SER27D, SER54C, SER54D, SER9C, SER9D, THR25C, THR25D, THR37C, THR37D, THR52C, THR52D, THR66C, THR66D, TRP102C, TYR104C, TYR104D, TYR11C, TYR11D, TYR7C, VAL21C, VAL21D, VAL26C, VAL26D, VAL32C, VAL32D
• G-H: ALA12G, ALA12H, ALA60G, ALA60H, ALA64G, ALA64H, ARG40G, ARG40H, ARG42G, ARG42H, ARG43G, ARG43H, ARG80H, ASN53G, ASN53H, ASP38G, ASP38H, CYS58G, CYS58H, GLN20G, GLN20H, GLN68G, GLN68H, GLU103H, GLU13G, GLU13H, GLU19G, GLU19H, GLU39G, GLU39H, GLU55G, GLU55H, GLU59G, GLU59H, GLY67G, GLY67H, HIS63G, HIS63H, ILE24G, ILE24H, ILE28G, ILE28H, ILE35G, ILE35H, ILE8G, ILE8H, LEU30G, LEU30H, LEU33G, LEU33H, LEU36G, LEU36H, LEU56G, LEU56H, LEU57G, LEU57H, LEU62G, LEU62H, LEU70G, LEU70H, LYS16H, LYS17G, LYS17H, LYS22G, LYS22H, LYS23G, LYS23H, LYS31G, LYS31H, LYS34G, LYS34H, PHE61G, PHE61H, PHE65G, PHE65H, PRO10G, PRO10H, PRO29G, PRO29H, PRO71G, PRO71H, SER18G, SER18H, SER27G, SER27H, SER54G, SER54H, SER9G, SER9H, THR25G, THR25H, THR37G, THR37H, THR52G, THR52H, THR66G, THR66H, TYR104G, TYR104H, TYR11G, TYR11H, VAL21G, VAL21H, VAL26G, VAL26H, VAL32G, VAL32H
• G-I: ALA51G, ALA51I, ARG40G, ARG40I, ARG42G, ARG42I, ARG43G, ARG43I, ASN46G, ASN46I, ASN47G, ASN47I, ASN53G, ASN53I, ASP38G, ASP38I, GLU39G, GLU39I, ILE28G, ILE28I, ILE35G, ILE35I, LEU30G, LEU30I, LEU33G, LEU33I, LEU36G, LEU36I, LEU48G, LEU48I, LYS31G, LYS31I, LYS34G, LYS34I, LYS44G, LYS44I, PRO29G, PRO29I, THR37G, THR37I, THR41G, THR41I, THR52G, THR52I, VAL32G, VAL32I, VAL45G, VAL45I
• G-J: ALA51G, ARG43G, ARG49G, ASN46G, ASN47G, GLN20J, GLU19J, ILE24J, LEU48G, LYS17J, LYS22J, LYS23J, LYS44G, SER18J, THR25J, VAL21J, VAL45G
• H-I: ALA51I, ARG43I, ASN46I, ASN47I, GLN20H, GLU19H, ILE24H, LEU48I, LYS17H, LYS22H, LYS23H, LYS44I, SER18H, VAL21H, VAL45I
• I-J: ALA12I, ALA12J, ALA1I, ALA60I, ALA60J, ALA64I, ALA64J, ARG40I, ARG40J, ARG42I, ARG42J, ARG43I, ARG43J, ARG80J, ASN53I, ASN53J, ASP38I, ASP38J, CYS58I, CYS58J, GLN20I, GLN20J, GLN68I, GLN68J, GLU103I, GLU103J, GLU13I, GLU13J, GLU19I, GLU19J, GLU39I, GLU39J, GLU55I, GLU55J, GLU59I, GLU59J, GLU6I, GLU83I, GLY67I, GLY67J, HIS63I, HIS63J, ILE24I, ILE24J, ILE28I, ILE28J, ILE35I, ILE35J, ILE8I, ILE8J, LEU30I, LEU30J, LEU33I, LEU33J, LEU36I, LEU36J, LEU56I, LEU56J, LEU57I, LEU57J, LEU62I, LEU62J, LEU70I, LEU70J, LYS16I, LYS17I, LYS17J, LYS22I, LYS22J, LYS23I, LYS23J, LYS31I, LYS31J, LYS34I, LYS34J, PHE61I, PHE61J, PHE65I, PHE65J, PRO10I, PRO10J, PRO29I, PRO29J, PRO71I, PRO71J, SER18I, SER18J, SER27I, SER27J, SER54I, SER54J, SER9I, SER9J, THR25I, THR25J, THR37I, THR37J, THR52I, THR52J, THR66I, THR66J, TRP102I, TYR104I, TYR104J, TYR11I, TYR11J, TYR7I, VAL21I, VAL21J, VAL26I, VAL26J, VAL32I, VAL32J