2HD3

crystal structure of the ethanolamine utilization protein eutn from escherichia coli, nesg target er316

• Total interactions analyzed: 66
• Total true interactions: 15
• Strongest Interaction:
  • Chains: H-I
  • Int. Res.: 85
  • Norm. En. per Res.: -4.0234
• Hub Node: E(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	-116.8484	1.6032	-225.59	-340.8352	93	17	9	9761	0	19	19
A-F	-47.2536	-1.0526	-119.171	-167.4772	70	12	7	6079	0	3	5
B-C	-66.8084	-4.9262	-177.046	-248.7806	76	16	8	7800	0	12	6
C-D	-73.2508	0.2893	-149.159	-222.1205	78	9	9	6970	0	9	11
D-E	-135.2371	4.0537	-228.661	-359.8444	91	18	9	9820	0	18	17
D-G	0.0	-16.7418	-47.5335	-64.2753	34	1	0	2174	1	12	2
E-F	-108.3712	-4.8037	-200.897	-314.0719	81	17	9	8662	0	13	6
E-G	0.0	0.0	-10.7434	-10.7434	17	0	0	503	0	2	1
E-L	-7.1207	-14.5085	-23.1796	-44.8089	20	1	0	943	2	14	2
G-H	-98.3848	5.6311	-233.536	-326.2897	90	18	10	10008	0	18	17
G-L	-77.0117	-2.5103	-171.805	-251.327	81	9	8	7676	0	14	14
H-I	-114.1581	-4.2592	-223.568	-341.9853	85	29	9	10114	0	14	10
I-J	-54.8972	-2.8381	-151.723	-209.4583	64	12	6	6901	0	8	11
J-K	-51.6133	-3.3419	-203.777	-258.7322	87	13	8	8949	0	14	16
K-L	-62.7248	-1.547	-214.271	-278.5428	84	16	9	9239	0	18	15

Interface residues

• A-B: ALA41A, ALA43A, ALA49B, ALA4B, ALA63A, ALA63B, ALA66B, ARG15A, ARG64A, ARG64B, ASN46B, ASP31B, ASP37B, ASP75A, ASP83B, CYS12A, CYS40A, CYS77B, GLN33B, GLN39A, GLN39B, GLN65A, GLN65B, GLN90B, GLN9A, GLU28A, GLU53B, GLU70A, GLU70B, GLU84B, GLY18A, GLY38A, GLY48B, GLY52A, GLY60A, GLY60B, GLY80B, GLY88B, GLY89B, GLY8A, HIS16A, HIS17A, HIS67B, HIS94B, ILE10A, ILE30B, ILE44A, ILE47B, ILE79B, ILE81B, ILE92B, LEU19A, LEU24A, LEU25A, LEU3B, LEU56B, LEU57B, LEU76A, LEU76B, LYS2B, LYS68B, LYS95B, PHE93B, PRO32B, PRO73A, SER59A, SER59B, SER61A, SER61B, SER62A, SER62B, SER69A, SER69B, SER72A, SER87B, THR13A, THR51A, THR71A, THR7A, TRP54B, VAL11A, VAL14A, VAL27A, VAL42A, VAL55B, VAL58B, VAL6A, VAL74A, VAL78B, VAL82B, VAL85B, VAL86B, VAL91B
• A-F: ALA41F, ALA43F, ALA49A, ALA4A, ALA63A, ALA63F, ASN35A, ASP31A, ASP37A, ASP75F, ASP83A, CB7.18721-2.10526, CYS12F, CYS40F, GLN33A, GLN39F, GLN90A, GLN9F, GLU28F, GLU53A, GLU84A, GLY34A, GLY38F, GLY48A, GLY52F, GLY60A, GLY80A, GLY88A, GLY89A, GLY8F, HIS94A, ILE10F, ILE30A, ILE47A, ILE79A, ILE81A, ILE92A, LEU24F, LEU25F, LEU3A, LEU56A, LEU57A, LEU76F, LYS2A, LYS2A5, LYS95A, PHE93A, PRO32A, SER59A, SER61F, SER62A, SER62F, SER87A, THR13F, THR51F, THR7F, TRP54A, VAL11F, VAL14F, VAL27F, VAL42F, VAL55A, VAL58A, VAL6F, VAL74F, VAL78A, VAL82A, VAL85A, VAL86A, VAL91A
• B-C: ALA41B, ALA43B, ALA49C, ALA4C, ALA63B, ARG15B, ARG64B, ASN46C, ASP31C, ASP37B, ASP75B, ASP83C, CYS12B, CYS40B, CYS77C, GLN33C, GLN39B, GLN90C, GLN9B, GLU28B, GLU53C, GLU84C, GLY18B, GLY38B, GLY48C, GLY52B, GLY60B, GLY60C, GLY80C, GLY88C, GLY89C, GLY8B, HIS16B, HIS17B, HIS94C, ILE10B, ILE30C, ILE44B, ILE47C, ILE79C, ILE81C, ILE92C, LEU19B, LEU24B, LEU25B, LEU3C, LEU56C, LEU57C, LEU76B, LEU76C, LYS2C, LYS95C, PHE93C, PRO32C, PRO73B, SER59C, SER61C, SER72B, SER87C, THR13B, THR51B, THR7B, TRP54C, VAL11B, VAL14B, VAL27B, VAL42B, VAL55C, VAL58C, VAL6B, VAL74B, VAL78C, VAL82C, VAL85C, VAL86C, VAL91C
• C-D: ALA41C, ALA43C, ALA49D, ALA4D, ALA63D, ALA66D, ARG15C, ARG64D, ASN46D, ASP31D, ASP75C, ASP83D, CYS12C, CYS40C, CYS77D, GLN33D, GLN39C, GLN65D, GLN90D, GLN9C, GLU28C, GLU84D, GLY18C, GLY38C, GLY48D, GLY52C, GLY60C, GLY80D, GLY88D, GLY89D, GLY8C, HIS16C, HIS17C, HIS67D, HIS94D, ILE10C, ILE30D, ILE44C, ILE47D, ILE79D, ILE81D, ILE92D, LEU19C, LEU24C, LEU25C, LEU3D, LEU56D, LEU57D, LEU76C, LYS23C, LYS2D, LYS68D, LYS95D, PHE93D, PRO32D, SER59D, SER61C, SER61D, SER62D, SER69D, SER87D, THR13C, THR51C, THR7C, TRP54D, VAL11C, VAL14C, VAL27C, VAL42C, VAL55D, VAL58D, VAL6C, VAL74C, VAL78D, VAL82D, VAL85D, VAL86D, VAL91D
• D-E: ALA41D, ALA43D, ALA49E, ALA4E, ALA63D, ALA63E, ALA66E, ARG15D, ARG64D, ARG64E, ASN46E, ASP31E, ASP37D, ASP75D, ASP83E, CYS12D, CYS40D, CYS77E, GLN33E, GLN39D, GLN65D, GLN65E, GLN90E, GLN9D, GLU28D, GLU53E, GLU70D, GLU70E, GLU84E, GLY18D, GLY38D, GLY48E, GLY60D, GLY60E, GLY80E, GLY88E, GLY89E, GLY8D, HIS16D, HIS17D, HIS67E, HIS94E, ILE10D, ILE30E, ILE44D, ILE47E, ILE79E, ILE81E, ILE92E, LEU19D, LEU24D, LEU25D, LEU3E, LEU56E, LEU57E, LEU76D, LEU76E, LYS2E, LYS68E, LYS95E, PHE93E, PRO32E, PRO73D, SER59D, SER59E, SER61D, SER61E, SER62D, SER62E, SER69D, SER69E, SER72D, SER87E, THR13D, THR51D, THR71D, THR7D, TRP54E, VAL11D, VAL14D, VAL27D, VAL42D, VAL55E, VAL58E, VAL6D, VAL74D, VAL78E, VAL82E, VAL85E, VAL86E, VAL91E
• D-G: ALA20D, ARG64D, ASN35G, ASP31G, ASP37G, GLN33G, GLN39G, GLN65D, GLN90G, GLU70D, GLY18D, GLY34G, GLY38G, GLY89G, HIS16D, HIS17D, HIS21D, HIS67D, HIS94G, ILE30G, ILE92G, LEU19D, LEU96G, LYS68D, PHE93G, PRO32G, PRO36G, PRO73D, SER69D, SER72D, SER87G, THR71D, TRP54G, VAL91G
• E-F: ALA41E, ALA43E, ALA49F, ALA4F, ALA63E, ALA63F, ARG15E, ARG64E, ASN46F, ASP31F, ASP37E, ASP75E, ASP75F, ASP83F, CYS12E, CYS40E, CYS77F, GLN33F, GLN39E, GLN90F, GLN9E, GLU28E, GLU70E, GLU84F, GLY18E, GLY38E, GLY48F, GLY60E, GLY60F, GLY80F, GLY88F, GLY89F, GLY8E, HIS16E, HIS17E, HIS94F, ILE10E, ILE30F, ILE44E, ILE47F, ILE79F, ILE81F, ILE92F, LEU19E, LEU24E, LEU25E, LEU3F, LEU56F, LEU57F, LEU76E, LEU76F, LYS2F, LYS95F, PHE93F, PRO32F, PRO73E, SER59E, SER59F, SER61E, SER61F, SER62F, SER72E, SER87F, THR13E, THR51E, THR71E, THR7E, TRP54F, VAL11E, VAL14E, VAL27E, VAL42E, VAL55F, VAL58F, VAL6E, VAL74E, VAL74F, VAL78F, VAL82F, VAL85F, VAL86F
• E-G: ALA63E, ALA66E, ARG64E, ASN35G, ASN46E, GLN33G, GLN65E, GLN90G, GLU70E, GLY88G, HIS67E, ILE92G, LYS68E, PRO32G, SER69E, SER87G, THR71E
• E-L: ALA20E, ARG15E, ASN35L, ASP31L, ASP37L, CYS40L, GLN33L, GLN39L, GLU28L, GLY18E, GLY34L, GLY38L, HIS16E, HIS17E, HIS21E, LYS68E, PRO36L, SER69E, THR71E, THR7L
• G-H: ALA41G, ALA43G, ALA49H, ALA4H, ALA63G, ALA63H, ALA66H, ARG15G, ARG64G, ARG64H, ASN46H, ASP31H, ASP37G, ASP75G, ASP83H, CYS12G, CYS40G, CYS77H, GLN33H, GLN39G, GLN65G, GLN65H, GLN90H, GLN9G, GLU28G, GLU53H, GLU70G, GLU70H, GLU84H, GLY18G, GLY38G, GLY48H, GLY60G, GLY60H, GLY80H, GLY88H, GLY89H, GLY8G, HIS16G, HIS17G, HIS67H, HIS94H, ILE10G, ILE30H, ILE44G, ILE47H, ILE79H, ILE81H, ILE92H, LEU19G, LEU24G, LEU25G, LEU3H, LEU56H, LEU57H, LEU76G, LEU76H, LYS2H, LYS68H, LYS95H, PHE93H, PRO32H, PRO73G, SER59H, SER61G, SER61H, SER62G, SER62H, SER69G, SER69H, SER72G, SER87H, THR13G, THR51G, THR71G, THR7G, TRP54H, VAL11G, VAL14G, VAL27G, VAL42G, VAL55H, VAL58H, VAL6G, VAL74G, VAL78H, VAL82H, VAL85H, VAL86H, VAL91H
• G-L: ALA41L, ALA43L, ALA49G, ALA4G, ALA63G, ALA63L, ALA66G, ARG15L, ARG64G, ARG64L, ASN46G, ASP31G, ASP75L, ASP83G, CYS12L, CYS40L, CYS77G, GLN33G, GLN39L, GLN65G, GLN90G, GLN9L, GLU28L, GLU53G, GLU84G, GLY18L, GLY38L, GLY48G, GLY52L, GLY60G, GLY60L, GLY80G, GLY88G, GLY89G, GLY8L, HIS16L, HIS17L, HIS67G, HIS94G, ILE10L, ILE30G, ILE44L, ILE47G, ILE79G, ILE81G, ILE92G, LEU19L, LEU24L, LEU25L, LEU3G, LEU56G, LEU57G, LEU76L, LYS2G, LYS68G, LYS95G, PHE93G, PRO32G, PRO73L, SER59G, SER61G, SER61L, SER62G, SER87G, THR13L, THR51L, THR7L, TRP54G, VAL11L, VAL14L, VAL27L, VAL42L, VAL55G, VAL58G, VAL6L, VAL74L, VAL78G, VAL82G, VAL85G, VAL86G, VAL91G
• H-I: ALA41H, ALA43H, ALA49I, ALA4I, ALA63H, ALA63I, ALA66I, ARG15H, ARG64H, ARG64I, ASN46I, ASP31I, ASP37H, ASP75H, ASP83I, CYS12H, CYS40H, CYS77I, GLN33I, GLN39H, GLN65I, GLN90I, GLN9H, GLU28H, GLU53I, GLU70H, GLU84I, GLY18H, GLY38H, GLY48I, GLY60H, GLY60I, GLY80I, GLY88I, GLY89I, GLY8H, HIS16H, HIS17H, HIS67I, HIS94I, ILE10H, ILE30I, ILE44H, ILE47I, ILE79I, ILE81I, ILE92I, LEU19H, LEU24H, LEU25H, LEU3I, LEU56I, LEU57I, LEU76H, LEU76I, LYS2I, LYS95I, PHE93I, PRO32I, PRO73H, SER59I, SER61H, SER61I, SER62I, SER69H, SER72H, SER87I, THR13H, THR51H, THR71H, THR7H, TRP54I, VAL11H, VAL14H, VAL27H, VAL42H, VAL55I, VAL58I, VAL6H, VAL74H, VAL78I, VAL82I, VAL85I, VAL86I, VAL91I
• I-J: ALA41I, ALA49J, ALA4J, ALA63J, ARG15I, ARG64I, ARG64J, ASN46J, ASP31J, ASP75I, ASP83J, CYS12I, CYS40I, CYS77J, GLN33J, GLN65J, GLN90J, GLN9I, GLU84J, GLY60J, GLY80J, GLY88J, GLY89J, GLY8I, HIS16I, HIS17I, HIS94J, ILE10I, ILE30J, ILE44I, ILE47J, ILE79J, ILE81J, ILE92J, LEU24I, LEU25I, LEU3J, LEU56J, LEU57J, LYS23I, LYS2J, LYS95J, PHE93J, PRO32J, SER59J, SER61J, SER62J, SER87J, THR13I, THR51I, THR7I, TRP54J, VAL11I, VAL14I, VAL27I, VAL42I, VAL55J, VAL58J, VAL6I, VAL78J, VAL82J, VAL85J, VAL86J, VAL91J
• J-K: ALA41J, ALA43J, ALA49K, ALA4K, ALA63J, ALA63K, ALA66K, ARG15J, ARG64J, ARG64K, ASN46K, ASP31K, ASP37K, ASP75J, ASP75K, ASP83K, CYS12J, CYS40J, CYS77K, GLN33K, GLN39J, GLN39K, GLN65K, GLN90K, GLN9J, GLU28J, GLU84K, GLY18J, GLY38J, GLY48K, GLY52J, GLY60J, GLY60K, GLY80K, GLY88K, GLY89K, GLY8J, HIS16J, HIS17J, HIS67K, HIS94K, ILE10J, ILE30K, ILE44J, ILE47K, ILE79K, ILE81K, ILE92K, LEU19J, LEU24J, LEU25J, LEU3K, LEU56K, LEU57K, LEU76J, LYS2K, LYS68K, LYS95K, PHE93K, PRO32K, PRO36J, PRO73J, SER59J, SER59K, SER61J, SER61K, SER62K, SER72J, SER87K, THR13J, THR51J, THR71J, THR7J, TRP54K, VAL11J, VAL14J, VAL27J, VAL42J, VAL55K, VAL58K, VAL6J, VAL74J, VAL78K, VAL82K, VAL85K, VAL86K, VAL91K
• K-L: ALA41K, ALA43K, ALA4L, ALA63K, ALA63L, ALA66L, ARG15K, ARG64K, ARG64L, ASN46L, ASP31L, ASP75K, ASP83L, CYS12K, CYS40K, CYS77L, GLN33L, GLN39K, GLN65L, GLN90L, GLN9K, GLU28K, GLU70K, GLU84L, GLY18K, GLY38K, GLY48L, GLY52K, GLY60K, GLY60L, GLY80L, GLY88L, GLY89L, GLY8K, HIS16K, HIS17K, HIS67L, HIS94L, ILE10K, ILE30L, ILE44K, ILE47L, ILE79L, ILE81L, ILE92L, LEU19K, LEU24K, LEU25K, LEU3L, LEU56L, LEU57L, LEU76K, LYS23K, LYS2L, LYS68L, LYS95L, PHE93L, PRO32L, PRO73K, SER59L, SER61K, SER61L, SER62L, SER69K, SER72K, SER87L, THR13K, THR51K, THR71K, THR7K, TRP54L, VAL11K, VAL14K, VAL27K, VAL42K, VAL55L, VAL58L, VAL6K, VAL74K, VAL78L, VAL82L, VAL85L, VAL86L, VAL91L