3NM7

crystal structure of borrelia burgdorferi pur-alpha

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 124
  • Norm. En. per Res.: -5.9366
• 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	-79.775	-86.9945	-569.372	-736.1415	124	18	37	23701	9	47	33
A-C	-8.6043	-31.9608	-120.266	-160.8311	56	5	0	4417	6	38	27
A-D	-7.8958	-50.6964	-47.5251	-106.1173	22	4	0	1668	6	14	16
B-C	-6.5533	-25.6972	-31.5526	-63.8031	23	6	0	1264	4	14	16
C-D	-54.3958	-57.4788	-565.881	-677.7556	122	29	37	23582	4	48	32

Interface residues

• A-B: ALA74A, ALA74B, ALA76A, ALA76B, ARG23A, ARG23B, ARG54A, ARG54B, ASN28A, ASN28B, ASN32A, ASN32B, ASN40A, ASN40B, ASN63A, ASN63B, ASN65A, ASN65B, ASN70A, ASN70B, ASP36A, ASP36B, GLN80A, GLN80B, GLU15A, GLU15B, GLU20A, GLU20B, GLU22A, GLU31A, GLU31B, GLU43A, GLU43B, GLU61A, GLU61B, GLU62A, GLU62B, GLU66A, GLU66B, GLU68A, GLU68B, GLY35A, GLY35B, HIS55A, HIS55B, ILE41A, ILE41B, ILE57A, ILE57B, ILE64A, ILE64B, ILE75A, ILE75B, ILE78A, ILE78B, LEU17A, LEU17B, LEU39A, LEU39B, LEU71A, LEU71B, LEU72A, LEU72B, LYS16A, LYS16B, LYS30A, LYS30B, LYS34A, LYS34B, LYS45A, LYS45B, LYS73A, LYS73B, LYS79A, LYS79B, LYS81A, LYS81B, PHE18A, PHE18B, PHE26A, PHE26B, PHE27A, PHE27B, PHE38A, PHE38B, PHE58A, PHE58B, PHE67A, PHE67B, SER14A, SER14B, SER21A, SER21B, SER44A, SER44B, SER56A, SER56B, SER69A, SER69B, SER83A, THR19A, THR19B, THR24A, THR24B, TYR13A, TYR13B, TYR25A, TYR25B, TYR37A, TYR37B, TYR60A, TYR60B, VAL12A, VAL12B, VAL29A, VAL29B, VAL42A, VAL42B, VAL59A, VAL59B, VAL77A, VAL77B, VAL82A, VAL82B
• A-C: ARG33A, ARG33C, ARG54A, ARG54C, ARG9A, ARG9C, ASN28A, ASN28C, ASN32A, ASN32C, ASN40A, ASN40C, ASN63A, ASN63C, ASP36A, ASP36C, GLU11A, GLU11C, GLU31A, GLU31C, GLU61A, GLU61C, GLU62A, GLU62C, GLU8A, GLU8C, GLY10A, GLY10C, HIS55A, HIS55C, ILE41A, ILE41C, ILE57A, ILE57C, LEU39A, LEU39C, LYS30A, LYS30C, LYS34A, LYS34C, PHE26A, PHE38A, PHE38C, PHE52A, PHE58A, PHE58C, SER44A, SER56A, SER56C, TYR37A, TYR60A, TYR60C, VAL42A, VAL42C, VAL59A, VAL59C
• A-D: ARG23D, ARG33A, ARG54D, ARG9A, ASN32A, GLU20D, GLU22D, GLU31A, GLU43D, GLU53D, GLY10A, GLY35A, HIS55D, ILE57D, LYS34A, LYS45D, PRO48D, SER21D, SER44D, SER56D, THR19D, TYR25D
• B-C: ARG23B, ARG33C, ARG46B, ARG54B, ARG9C, ASN32C, GLU20B, GLU22B, GLU31C, GLU43B, GLU53B, GLY10C, GLY35C, HIS55B, ILE57B, LYS34C, LYS45B, PRO48B, SER21B, SER44B, SER56B, THR19B, TYR25B
• C-D: ALA74C, ALA74D, ALA76C, ALA76D, ARG23C, ARG23D, ARG54C, ARG54D, ASN28C, ASN28D, ASN32C, ASN40C, ASN40D, ASN63C, ASN63D, ASN65C, ASN65D, ASN70C, ASN70D, ASP36C, ASP36D, GLN80C, GLN80D, GLU15C, GLU15D, GLU20C, GLU20D, GLU22C, GLU22D, GLU31C, GLU31D, GLU43C, GLU43D, GLU61C, GLU61D, GLU62C, GLU62D, GLU66C, GLU66D, GLU68C, GLU68D, GLY35C, GLY35D, HIS55C, HIS55D, ILE41C, ILE41D, ILE57C, ILE57D, ILE64C, ILE64D, ILE75C, ILE75D, ILE78C, ILE78D, LEU17C, LEU17D, LEU39C, LEU39D, LEU71C, LEU71D, LEU72C, LEU72D, LYS16C, LYS16D, LYS30C, LYS30D, LYS34C, LYS45C, LYS45D, LYS73C, LYS73D, LYS79C, LYS79D, LYS81C, LYS81D, PHE18C, PHE18D, PHE26C, PHE26D, PHE27C, PHE27D, PHE38C, PHE38D, PHE58C, PHE58D, PHE67C, PHE67D, SER14C, SER14D, SER21C, SER21D, SER44C, SER44D, SER56C, SER56D, SER69C, SER69D, SER83D, THR19C, THR19D, THR24C, TYR13C, TYR13D, TYR25C, TYR25D, TYR37C, TYR37D, TYR60C, TYR60D, VAL12C, VAL12D, VAL29C, VAL29D, VAL42C, VAL42D, VAL59C, VAL59D, VAL77C, VAL77D, VAL82C, VAL82D