2D45

crystal structure of the meci-meca repressor-operator complex

• Total interactions analyzed: 28
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 123
  • Norm. En. per Res.: -4.2358
• 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	-29.7484	-42.2953	-430.308	-502.3517	121	47	17	20020	5	46	30
A-C	-4.0755	0.5347	-9.2583	-12.7991	9	2	0	435	0	7	8
A-D	-19.327	-19.9626	-68.3657	-107.6553	33	22	0	2772	2	21	8
B-C	-15.4354	-17.5974	-64.8008	-97.8337	35	14	0	2628	0	21	8
B-D	0.0	21.1283	-15.4091	5.7192	26	2	0	557	0	11	24
C-D	-36.0822	-45.2113	-439.708	-521.0015	123	35	17	19523	5	46	29

Interface residues

• A-B: ALA11A, ALA11B, ARG117A, ARG117B, ASN101A, ASN101B, ASN118A, ASN118B, ASN121A, ASN121B, ASN17A, ASN17B, ASN85A, ASN85B, ASN88A, ASN88B, ASN96A, ASN96B, ASP107A, ASP107B, ASP111A, ASP111B, ASP77A, ASP77B, GLN110A, GLN110B, GLN37A, GLN37B, GLU104A, GLU104B, GLU106A, GLU106B, GLU112A, GLU112B, GLU114A, GLU114B, GLU115A, GLU115B, GLU12A, GLU12B, GLU14A, GLU14B, GLU74A, GLU74B, GLU75A, GLU75B, GLY93A, GLY93B, GLY94A, GLY94B, ILE113A, ILE113B, ILE119A, ILE119B, ILE18A, ILE18B, ILE34B, ILE78A, ILE78B, ILE87A, ILE87B, ILE8A, ILE8B, LEU100A, LEU100B, LEU108A, LEU108B, LEU116A, LEU116B, LEU120A, LEU120B, LEU98A, LEU98B, LYS105A, LYS105B, LYS38A, LYS38B, LYS79A, LYS79B, LYS81A, LYS81B, LYS84A, LYS84B, LYS89A, LYS89B, LYS92A, LYS92B, PHE102A, PHE102B, PHE86A, PHE86B, PHE95A, PHE95B, SER109A, SER109B, SER10A, SER10B, SER76A, SER76B, SER83A, SER83B, SER97A, SER97B, SER9A, SER9B, THR82A, THR82B, TRP13A, TRP13B, TRP20A, TRP20B, TYR80A, TYR80B, TYR91A, TYR91B, VAL103A, VAL103B, VAL90A, VAL90B, VAL99A, VAL99B
• A-C: ASP77A, ASP77C, GLU74C, LYS81A, LYS81C, LYS84A, LYS84C, TYR80A, TYR80C
• A-D: ASN121A, ASN85A, ASN88A, ASN96A, ASP107D, ASP111D, GLN110D, GLN37D, GLU104D, GLU106D, GLU112D, GLU114D, GLY93A, GLY94A, ILE113D, ILE87A, LEU108D, LEU120A, LYS105D, LYS38D, LYS81A, LYS84A, LYS89A, LYS92A, PHE102D, PHE86A, PHE95A, SER109D, SER97A, THR82A, TYR80A, TYR91A, VAL103D
• B-C: ASN121C, ASN85C, ASN88C, ASP107B, ASP111B, ASP39B, ASP77C, GLN110B, GLN37B, GLU104B, GLU106B, GLU112B, GLU114B, GLY93C, GLY94C, ILE113B, ILE87C, LEU108B, LEU120C, LYS105B, LYS38B, LYS81C, LYS84C, LYS89C, LYS92C, PHE102B, PHE86C, PHE95C, SER109B, SER97C, THR82C, TYR80C, TYR91C, VAL103B, VAL90C
• B-D: ARG117B, ARG117D, ASN17B, ASN17D, ASP107B, ASP107D, ASP111D, GLN110B, GLN110D, GLN37B, GLN37D, GLU106B, GLU106D, GLU112B, GLU112D, GLU14B, GLU14D, ILE113B, ILE113D, ILE18B, ILE18D, LYS38B, LYS38D, PHE102B, SER109B, SER109D
• C-D: ALA11C, ALA11D, ARG117C, ARG117D, ASN101C, ASN101D, ASN118C, ASN118D, ASN121C, ASN121D, ASN17C, ASN17D, ASN85C, ASN85D, ASN88C, ASN88D, ASN96C, ASN96D, ASP107C, ASP107D, ASP111C, ASP111D, ASP77C, ASP77D, GLN110C, GLN110D, GLN37C, GLN37D, GLU104C, GLU104D, GLU106C, GLU106D, GLU112C, GLU112D, GLU114C, GLU114D, GLU115C, GLU115D, GLU12C, GLU12D, GLU14C, GLU14D, GLU74C, GLU74D, GLU75C, GLU75D, GLU7C, GLU7D, GLY93C, GLY93D, GLY94C, GLY94D, ILE113C, ILE113D, ILE119C, ILE119D, ILE18C, ILE18D, ILE34C, ILE78C, ILE78D, ILE87C, ILE87D, ILE8C, ILE8D, LEU100C, LEU100D, LEU108C, LEU108D, LEU116C, LEU116D, LEU120C, LEU120D, LEU98C, LEU98D, LYS105C, LYS105D, LYS38C, LYS38D, LYS79C, LYS79D, LYS81C, LYS81D, LYS84C, LYS84D, LYS89C, LYS89D, LYS92C, LYS92D, PHE102C, PHE102D, PHE86C, PHE86D, PHE95C, PHE95D, SER109D, SER10C, SER10D, SER76C, SER76D, SER83C, SER83D, SER97C, SER97D, SER9C, SER9D, THR82C, THR82D, TRP13C, TRP13D, TRP20C, TRP20D, TRP40C, TYR80C, TYR80D, TYR91C, TYR91D, VAL103C, VAL103D, VAL90C, VAL90D, VAL99C, VAL99D