2ON5

structure of nagst-2

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: E-H
  • Int. Res.: 124
  • Norm. En. per Res.: -4.6723
• Hub Node: A(5)

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	0.0	-2.3695	-1.1326	-3.5021	14	0	0	222	0	10	9
A-D	0.0	16.9466	-24.5176	-7.571	32	3	0	1273	0	18	20
A-E	-34.3848	0.0	-60.7863	-95.1711	28	3	1	1853	0	10	15
A-G	-24.6392	-138.8768	-400.55	-564.0659	124	4	10	13900	13	47	41
A-H	-2.8204	0.7097	-58.1791	-60.2897	41	0	0	2514	0	14	8
B-C	-19.2536	-131.9461	-383.835	-535.0347	125	8	10	13632	14	47	41
B-D	-33.156	0.0	-56.2622	-89.4182	28	7	1	1879	0	10	15
B-E	-9.8079	15.4841	-18.9836	-13.3074	32	1	0	1187	0	18	19
B-F	-5.7369	1.1352	-60.0118	-64.6135	42	0	0	2592	0	14	8
C-D	-3.7347	2.177	-49.2881	-50.8458	40	0	0	2272	0	14	8
C-F	-32.435	0.0	-48.9866	-81.4216	28	9	1	1785	0	10	13
D-F	-36.4007	-124.1821	-419.628	-580.2108	127	11	10	14832	11	48	42
E-G	0.0	1.0045	-42.0825	-41.078	38	0	0	1955	0	14	8
E-H	-32.1118	-128.9495	-418.299	-579.3603	124	5	10	14520	13	48	42
G-H	-34.222	0.0	-49.8467	-84.0687	28	3	1	1698	0	10	13

Interface residues

• A-B: ASP31A, ASP31B, GLU30A, GLU30B, HIS3A, HIS3B, LYS28A, LYS28B, MET1A, MET1B, TYR29A, TYR29B, VAL32A, VAL32B
• A-D: ALA10D, ARG19D, ARG33A, ARG33D, ASP31D, GLN37A, GLU30A, GLU30D, GLU38A, GLU38D, GLU45A, HIS3D, HIS42A, LEU6D, LYS205A, LYS28D, LYS41A, LYS41D, LYS5A, LYS5D, MET1D, THR35A, THR35D, THR7D, TRP197D, TRP39A, TYR29D, TYR34A, TYR34D, TYR8D, VAL32A, VAL32D
• A-E: ARG73A, ARG73E, ASP57A, ASP57E, GLN27A, GLN27E, GLU56A, GLU56E, GLY58A, GLY58E, HIS3A, HIS3E, LYS59A, LYS59E, LYS74A, LYS74E, MET1A, MET1E, PHE75A, PHE75E, PRO82A, PRO82E, TYR4A, TYR4E, TYR70A, TYR70E, VAL2A, VAL2E
• A-G: ALA62A, ALA62G, ALA66A, ALA66G, ALA78A, ALA78G, ALA86A, ALA86G, ALA92A, ALA92G, ARG103A, ARG103G, ARG69A, ARG69G, ARG73A, ARG73G, ASN100A, ASN100G, ASP44A, ASP44G, ASP57A, ASP57G, ASP89A, ASP89G, ASP93A, ASP93G, ASP97A, ASP97G, GLN50A, GLN50G, GLN60A, GLN60G, GLN63A, GLN63G, GLN94A, GLN94G, GLU101A, GLU101G, GLU45G, GLU55A, GLU55G, GLU56A, GLU56G, GLU84A, GLU84G, GLU85A, GLU85G, GLY134A, GLY134G, GLY49A, GLY49G, GLY58A, GLY58G, GLY79A, ILE67A, ILE67G, LEU148A, LEU148G, LEU54A, LEU54G, LEU61A, LEU61G, LEU71A, LEU71G, LEU87A, LEU87G, LYS131A, LYS131G, LYS138A, LYS138G, LYS142A, LYS142G, LYS43A, LYS43G, LYS59A, LYS59G, LYS74A, LYS74G, LYS96A, LYS96G, MET136A, MET136G, MET46A, MET46G, PHE132A, PHE132G, PHE135A, PHE135G, PHE139A, PHE139G, PHE48A, PHE48G, PHE65A, PHE65G, PHE83A, PHE83G, PRO47A, PRO47G, PRO82A, PRO82G, SER64A, SER64G, SER90A, SER90G, THR81A, THR81G, TYR155A, TYR155G, TYR4A, TYR4G, TYR70A, TYR70G, TYR95A, TYR95G, TYR98A, TYR98G, VAL149A, VAL149G, VAL53A, VAL53G, VAL88A, VAL88G, VAL91A, VAL91G
• A-H: ALA25A, ALA25H, ALA78A, ALA78H, ARG73A, ARG73H, GLU84A, GLU84H, GLU85A, GLU85H, GLY76A, GLY76H, GLY79A, GLY79H, LEU24A, LEU24H, LEU71A, LEU71H, LYS74A, LYS74H, LYS80A, LYS80H, PHE75A, PHE75H, PHE77A, PHE77H, PHE83A, PHE83H, PRO82A, PRO82H, SER152A, SER152H, SER72A, SER72H, THR154A, THR81A, THR81H, TYR70A, TYR70H, VAL153A, VAL153H
• B-C: ALA62B, ALA62C, ALA66B, ALA66C, ALA68C, ALA78B, ALA78C, ALA86B, ALA86C, ALA92B, ALA92C, ARG103B, ARG103C, ARG69B, ARG69C, ARG73B, ARG73C, ASN100B, ASN100C, ASP44B, ASP44C, ASP57B, ASP57C, ASP89B, ASP89C, ASP93B, ASP93C, ASP97B, ASP97C, GLN50B, GLN50C, GLN60B, GLN60C, GLN63B, GLN63C, GLN94B, GLN94C, GLU101B, GLU101C, GLU45C, GLU55B, GLU55C, GLU56B, GLU56C, GLU84B, GLU84C, GLU85B, GLU85C, GLY134B, GLY134C, GLY49B, GLY49C, GLY58B, GLY58C, GLY79B, ILE67B, ILE67C, LEU148B, LEU148C, LEU54B, LEU54C, LEU61B, LEU61C, LEU71B, LEU71C, LEU87B, LEU87C, LYS131B, LYS131C, LYS138B, LYS138C, LYS142B, LYS142C, LYS43B, LYS43C, LYS59B, LYS59C, LYS74B, LYS74C, LYS96B, LYS96C, MET136B, MET136C, MET46B, MET46C, PHE132B, PHE132C, PHE135B, PHE135C, PHE139B, PHE139C, PHE48B, PHE48C, PHE65B, PHE65C, PHE83B, PHE83C, PRO47B, PRO47C, PRO82B, PRO82C, SER64B, SER64C, SER90B, SER90C, THR81B, THR81C, TYR155B, TYR155C, TYR4B, TYR4C, TYR70B, TYR70C, TYR95B, TYR95C, TYR98B, TYR98C, VAL149B, VAL149C, VAL53B, VAL53C, VAL88B, VAL88C, VAL91B, VAL91C
• B-D: ARG73B, ARG73D, ASP57B, ASP57D, GLN27B, GLN27D, GLU56B, GLU56D, GLY58B, GLY58D, HIS3B, HIS3D, LYS59B, LYS59D, LYS74B, LYS74D, MET1B, MET1D, PHE75B, PHE75D, PRO82B, PRO82D, TYR4B, TYR4D, TYR70B, TYR70D, VAL2B, VAL2D
• B-E: ALA10E, ARG33B, ARG33E, ASP31E, GLN37B, GLU30B, GLU30E, GLU38B, GLU38E, GLU45B, HIS3E, HIS42B, LEU6E, LYS205B, LYS28E, LYS41B, LYS41E, LYS5B, LYS5E, MET1E, PRO202E, THR35B, THR35E, THR7E, TRP197E, TRP39B, TYR29E, TYR34B, TYR34E, TYR8E, VAL32B, VAL32E
• B-F: ALA25B, ALA25F, ALA78B, ALA78F, ARG73B, ARG73F, ASP151B, ASP151F, GLU84B, GLU84F, GLU85B, GLU85F, GLY76B, GLY76F, GLY79B, GLY79F, LEU71B, LEU71F, LYS74B, LYS74F, LYS80B, LYS80F, PHE75B, PHE75F, PHE77B, PHE77F, PHE83B, PHE83F, PRO82B, PRO82F, SER152B, SER152F, SER72B, SER72F, THR154B, THR154F, THR81B, THR81F, TYR70B, TYR70F, VAL153B, VAL153F
• C-D: ALA25C, ALA25D, ALA78C, ALA78D, ARG73C, ARG73D, ASP151C, ASP151D, GLU84C, GLU84D, GLU85C, GLU85D, GLY76C, GLY76D, GLY79C, GLY79D, LEU71C, LEU71D, LYS74C, LYS74D, LYS80C, LYS80D, PHE75C, PHE75D, PHE77C, PHE77D, PHE83C, PHE83D, PRO82C, PRO82D, SER152C, SER152D, SER72C, SER72D, THR154C, THR81C, THR81D, TYR70C, TYR70D, VAL153C
• C-F: ARG73C, ARG73F, ASP57C, ASP57F, GLN27C, GLN27F, GLU56C, GLU56F, GLY58C, GLY58F, HIS3C, HIS3F, LYS59C, LYS59F, LYS74C, LYS74F, MET1C, MET1F, PHE75C, PHE75F, PRO82C, PRO82F, TYR4C, TYR4F, TYR70C, TYR70F, VAL2C, VAL2F
• D-F: ALA62D, ALA62F, ALA66D, ALA66F, ALA68D, ALA68F, ALA78D, ALA78F, ALA86D, ALA86F, ALA92D, ALA92F, ARG103D, ARG103F, ARG69D, ARG69F, ARG73D, ARG73F, ASN100D, ASN100F, ASP44D, ASP44F, ASP57D, ASP57F, ASP89D, ASP89F, ASP93D, ASP93F, ASP97D, ASP97F, GLN50D, GLN50F, GLN60D, GLN60F, GLN63D, GLN63F, GLN94D, GLN94F, GLU101D, GLU101F, GLU45D, GLU45F, GLU55D, GLU55F, GLU56D, GLU56F, GLU84D, GLU84F, GLU85D, GLU85F, GLY134D, GLY134F, GLY49D, GLY49F, GLY58D, GLY58F, ILE67D, ILE67F, LEU148D, LEU148F, LEU14F, LEU54D, LEU54F, LEU61D, LEU61F, LEU71D, LEU71F, LEU87D, LEU87F, LYS131D, LYS131F, LYS138D, LYS138F, LYS142D, LYS142F, LYS43D, LYS43F, LYS59D, LYS59F, LYS74D, LYS74F, LYS96D, LYS96F, MET136D, MET136F, MET46D, MET46F, PHE132D, PHE132F, PHE135D, PHE135F, PHE139D, PHE139F, PHE48D, PHE48F, PHE65D, PHE65F, PHE83D, PHE83F, PRO47D, PRO47F, PRO82D, PRO82F, SER64D, SER64F, SER90D, SER90F, THR81D, THR81F, TYR155D, TYR155F, TYR4D, TYR4F, TYR70D, TYR70F, TYR95D, TYR95F, TYR98D, TYR98F, VAL149D, VAL149F, VAL53D, VAL53F, VAL88D, VAL88F, VAL91D, VAL91F
• E-G: ALA25E, ALA25G, ALA78E, ALA78G, ARG73E, ARG73G, ASP151E, ASP151G, GLU84E, GLU84G, GLU85E, GLU85G, GLY76E, GLY76G, GLY79E, GLY79G, LEU71E, LEU71G, LYS74E, LYS74G, LYS80E, LYS80G, PHE75E, PHE75G, PHE77E, PHE77G, PHE83E, PHE83G, PRO82E, PRO82G, SER152E, SER152G, SER72E, SER72G, THR81E, THR81G, TYR70E, TYR70G
• E-H: ALA62E, ALA62H, ALA66E, ALA66H, ALA78E, ALA78H, ALA86E, ALA86H, ALA92E, ALA92H, ARG103E, ARG103H, ARG69E, ARG69H, ARG73E, ARG73H, ASN100E, ASN100H, ASP44E, ASP44H, ASP57E, ASP57H, ASP89E, ASP89H, ASP93E, ASP93H, ASP97E, ASP97H, GLN50E, GLN50H, GLN60E, GLN60H, GLN63E, GLN63H, GLN94E, GLN94H, GLU101E, GLU101H, GLU45E, GLU45H, GLU55E, GLU55H, GLU56E, GLU56H, GLU84E, GLU84H, GLU85E, GLU85H, GLY134E, GLY134H, GLY49E, GLY49H, GLY58E, GLY58H, ILE67E, ILE67H, LEU148E, LEU148H, LEU54E, LEU54H, LEU61E, LEU61H, LEU71E, LEU71H, LEU87E, LEU87H, LYS131E, LYS131H, LYS138E, LYS138H, LYS142E, LYS142H, LYS43E, LYS43H, LYS59E, LYS59H, LYS74E, LYS74H, LYS96E, LYS96H, MET136E, MET136H, MET46E, MET46H, PHE132E, PHE132H, PHE135E, PHE135H, PHE139E, PHE139H, PHE48E, PHE48H, PHE65E, PHE65H, PHE83E, PHE83H, PRO47E, PRO47H, PRO82E, PRO82H, SER64E, SER64H, SER90E, SER90H, THR81E, THR81H, TYR155E, TYR155H, TYR4E, TYR4H, TYR70E, TYR70H, TYR95E, TYR95H, TYR98E, TYR98H, VAL149E, VAL149H, VAL53E, VAL53H, VAL88E, VAL88H, VAL91E, VAL91H
• G-H: ARG73G, ARG73H, ASP57G, ASP57H, GLN27G, GLN27H, GLU56G, GLU56H, GLY58G, GLY58H, HIS3G, HIS3H, LYS59G, LYS59H, LYS74G, LYS74H, MET1G, MET1H, PHE75G, PHE75H, PRO82G, PRO82H, TYR4G, TYR4H, TYR70G, TYR70H, VAL2G, VAL2H