3FJS

crystal structure of a putative biosynthetic protein with rmlc-like cupin fold (reut_b4087) from ralstonia eutropha jmp134 at 1.90 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 123
  • Norm. En. per Res.: -5.039
• 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	-171.5971	-21.1349	-427.063	-619.795	123	17	20	17221	0	14	7
A-C	0.0	0.0	-0.7572	-0.7572	16	0	0	248	0	0	0
A-D	-6.1698	-22.8008	-51.9203	-80.8909	44	2	0	2213	3	12	12
B-C	-7.5286	-14.2156	-43.1131	-64.8574	42	1	0	2052	2	12	12
B-D	0.0	0.0	-2.4503	-2.4503	18	0	0	436	0	0	0
C-D	-160.8872	-8.6134	-381.528	-551.0286	114	22	17	15820	0	14	7

Interface residues

• A-B: ALA12A, ALA12B, ALA54A, ALA54B, ALA73A, ALA73B, ALA87A, ALA87B, ALA89A, ALA89B, ALA90A, ALA90B, ARG34A, ARG34B, ARG39A, ARG39B, ARG75A, ARG75B, ARG76A, ARG76B, ASP71A, ASP71B, ASP81A, ASP81B, CYS61A, CYS61B, GLN60A, GLN60B, GLN74A, GLN79A, GLN79B, GLU10A, GLU10B, GLU32A, GLU32B, GLU36A, GLU36B, GLU63A, GLU63B, GLY55A, GLY55B, GLY69A, GLY69B, GLY80A, GLY80B, GLY86A, GLY86B, GLY88A, GLY88B, GLY9A, GLY9B, HIS33A, HIS33B, HIS5A, HIS5B, HIS78A, HIS78B, HIS91A, HIS91B, ILE59A, ILE59B, ILE68A, ILE68B, LEU102A, LEU102B, LEU107A, LEU107B, LEU15A, LEU15B, LEU29A, LEU29B, LEU35A, LEU35B, LEU62A, LEU62B, LEU6A, LEU6B, LEU77A, LEU77B, LEU82A, LEU82B, LEU83A, LEU83B, LEU85A, LEU85B, LYS31A, LYS31B, PHE30A, PHE30B, PRO16A, PRO16B, PRO56A, PRO56B, SER13A, SER13B, SER57A, SER57B, SER7A, SER7B, SER8A, SER8B, THR104A, THR104B, THR58A, THR58B, TYR84A, TYR84B, VAL103A, VAL105A, VAL105B, VAL106A, VAL106B, VAL108A, VAL108B, VAL11A, VAL11B, VAL14A, VAL14B, VAL37A, VAL37B, VAL53B, VAL70A, VAL70B
• A-C: ALA12C, GLN20A, GLY18A, GLY18C, LEU15A, LEU15C, LEU17A, LEU17C, LYS19A, LYS19C, PRO16A, PRO16C, SER13A, SER13C, VAL11A, VAL11C
• A-D: ALA44A, ALA44D, ARG76A, ARG76D, ASN98A, ASN98D, ASP81A, ASP81D, CYS61A, CYS61D, GLN20A, GLN20D, GLN79A, GLN79D, GLU63A, GLU63D, GLU65A, GLU65D, GLY18A, GLY18D, GLY64A, GLY64D, GLY80A, GLY80D, HIS78A, HIS78D, ILE96A, ILE96D, LEU17A, LEU17D, LEU21A, LEU21D, LEU77A, LEU77D, LEU82A, LEU82D, LYS19A, LYS19D, PRO16A, PRO16D, THR22A, THR22D, THR97A, THR97D
• B-C: ALA44B, ALA44C, ARG76B, ARG76C, ASN98B, ASN98C, ASP81B, ASP81C, CYS61C, GLN20B, GLN20C, GLN23B, GLN79B, GLN79C, GLU63B, GLU63C, GLU65B, GLU65C, GLY18B, GLY18C, GLY64B, GLY64C, GLY80C, HIS78B, HIS78C, ILE96B, ILE96C, LEU17B, LEU17C, LEU21B, LEU21C, LEU77B, LEU77C, LEU82C, LYS19B, LYS19C, PRO16B, PRO16C, THR22B, THR22C, THR97B, THR97C
• B-D: ALA12B, ALA12D, GLN20D, GLY18B, GLY18D, LEU15B, LEU15D, LEU17B, LEU17D, LYS19B, LYS19D, PRO16B, PRO16D, SER13B, SER13D, VAL11B, VAL11D, VAL14B
• C-D: ALA12C, ALA12D, ALA54C, ALA73C, ALA87C, ALA87D, ALA89C, ALA89D, ALA90C, ALA90D, ARG34C, ARG34D, ARG39C, ARG39D, ARG75C, ARG75D, ARG76C, ARG76D, ASP71C, ASP71D, ASP81C, ASP81D, CYS61C, CYS61D, GLN60C, GLN60D, GLN79C, GLN79D, GLU10C, GLU10D, GLU32C, GLU32D, GLU36C, GLU36D, GLU63C, GLU63D, GLY55C, GLY55D, GLY69C, GLY80C, GLY80D, GLY86C, GLY86D, GLY88C, GLY9C, GLY9D, HIS33C, HIS33D, HIS78C, HIS78D, HIS91C, HIS91D, ILE59C, ILE59D, ILE68C, ILE68D, LEU102C, LEU102D, LEU107C, LEU107D, LEU15C, LEU15D, LEU29C, LEU29D, LEU35C, LEU35D, LEU62C, LEU62D, LEU77C, LEU77D, LEU82C, LEU82D, LEU83C, LEU83D, LEU85C, LEU85D, LYS31C, LYS31D, PHE30C, PHE30D, PRO16C, PRO16D, PRO56C, PRO56D, SER13C, SER13D, SER57C, SER57D, SER7C, SER7D, SER8C, SER8D, THR104C, THR104D, THR58C, THR58D, TYR84C, TYR84D, VAL103C, VAL103D, VAL105C, VAL105D, VAL106C, VAL106D, VAL108C, VAL108D, VAL11C, VAL11D, VAL14C, VAL14D, VAL37C, VAL37D, VAL70C, VAL70D