3KJJ

crystal structure of nmb1025, a member of yjgf protein family, from neisseria meningitidis (hexagonal crystal form)

• Total interactions analyzed: 66
• Total true interactions: 24
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 95
  • Norm. En. per Res.: -4.8908
• Hub Node: A(6)

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	-59.573	-36.0923	-293.473	-389.1384	96	14	15	11413	2	27	23
A-C	-85.2572	-70.2924	-309.072	-464.6216	95	15	15	11659	5	28	26
A-D	0.0	-1.3808	-17.9219	-19.3027	24	0	1	813	0	11	7
A-G	-8.4636	25.1833	-31.0951	-14.3754	42	1	2	1912	0	21	16
A-I	0.0	0.0	-0.0423	-0.0423	2	0	0	13	0	1	4
A-J	0.0	-1.0716	-11.3667	-12.4383	23	0	0	731	0	7	8
B-C	-57.8151	-51.1263	-309.834	-418.7754	99	15	15	11742	4	28	27
B-J	0.0	3.9293	-19.3739	-15.4446	26	1	1	1010	0	11	7
C-D	0.0	0.0	-16.3398	-16.3398	30	0	0	1052	0	10	7
C-L	-5.8645	-14.7644	-30.5923	-51.2212	42	3	1	1670	1	18	20
D-E	-52.6692	-71.438	-265.94	-390.0472	98	13	15	10976	6	24	22
D-F	-58.7868	-77.7407	-306.687	-443.2145	97	15	16	11610	6	27	23
D-G	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	1
D-I	0.0	0.0	-12.4406	-12.4406	22	1	0	647	0	7	4
D-L	0.0	-7.8762	-2.7605	-10.6367	13	0	1	209	0	2	6
E-F	-68.4424	-66.1379	-294.821	-429.4013	97	15	16	11303	4	24	21
E-L	0.0	4.5621	-19.7958	-15.2337	30	0	0	1254	0	8	3
F-I	0.0	0.0	-0.0402	-0.0402	2	0	0	10	0	2	3
F-K	0.0	0.0	-17.8134	-17.8134	29	0	0	1180	0	8	7
G-H	-41.04	-43.0707	-300.925	-385.0356	94	11	16	11313	2	25	18
G-I	-59.5524	-50.1263	-291.451	-401.1297	94	14	16	11106	4	25	18
G-J	-3.7464	-10.2048	-23.307	-37.2582	32	3	1	1096	1	2	13
H-I	-40.6656	-33.0403	-300.833	-374.5389	96	10	16	11496	2	27	21
I-K	0.0	-0.2479	-7.5394	-7.7874	29	0	1	474	0	14	17

Interface residues

• A-B: ALA100A, ALA112B, ALA15A, ALA18A, ALA58B, ALA63B, ALA74B, ALA82B, ALA85B, ALA86B, ALA91B, ALA93B, ALA97A, ALA97B, ARG101A, ARG115B, ARG11A, ARG4A, ARG68A, ARG68B, ARG88B, ARG92B, ARG98A, ARG98B, ASN19A, ASN19B, ASN77B, ASP116B, ASP2A, ASP56B, ASP62B, ASP69B, ASP81B, CYS94B, GLU107A, GLU14A, GLU96A, GLU96B, GLY17A, GLY20B, GLY26A, GLY71B, GLY78B, GLY7A, GLY87B, HIS0A, HIS0B, HIS59B, ILE108A, ILE110A, ILE22A, ILE22B, ILE3A, ILE65A, ILE65B, LEU21A, LEU21B, LEU24A, LEU61B, LEU67A, LEU67B, LEU99A, LYS109A, LYS109B, LYS114B, LYS57B, PHE23A, PHE23B, PHE6A, PRO10A, PRO90B, SER13A, SER25A, SER55B, THR111A, THR111B, THR89B, THR8A, THR9A, TRP104A, TRP80B, TRP83B, TYR12A, TYR5A, TYR66A, TYR66B, TYR73B, VAL113B, VAL16A, VAL28A, VAL60B, VAL64A, VAL64B, VAL84B, VAL95A, VAL95B
• A-C: ALA100C, ALA112A, ALA15C, ALA18C, ALA58A, ALA63A, ALA74A, ALA82A, ALA85A, ALA86A, ALA91A, ALA93A, ALA97A, ALA97C, ARG101C, ARG115A, ARG11C, ARG4C, ARG68A, ARG68C, ARG88A, ARG92A, ARG98A, ARG98C, ASN19A, ASN19C, ASN77A, ASP116A, ASP2C, ASP56A, ASP62A, ASP69A, ASP81A, CYS94A, GLU107C, GLU14C, GLU96A, GLU96C, GLY17C, GLY20A, GLY26C, GLY71A, GLY78A, GLY7C, GLY87A, HIS-1C, HIS0A, HIS0C, HIS59A, ILE108C, ILE110C, ILE22C, ILE3C, ILE65A, ILE65C, LEU21A, LEU21C, LEU24C, LEU61A, LEU67A, LEU67C, LEU99C, LYS109A, LYS109C, LYS114A, LYS57A, PHE23A, PHE23C, PHE6C, PRO10C, PRO90A, SER13C, SER25C, SER55A, THR111A, THR111C, THR89A, THR8C, THR9C, TRP104C, TRP80A, TYR12C, TYR5C, TYR66A, TYR66C, TYR73A, VAL113A, VAL16C, VAL28C, VAL60A, VAL64A, VAL64C, VAL84A, VAL95A, VAL95C
• A-D: ALA40D, ALA44D, ALA51D, ALA82A, ALA85A, ALA86A, ARG115D, ARG48D, ARG88A, ASP47D, ASP56D, ASP81A, GLN45D, GLU52D, GLY87A, ILE46D, LEU43D, LEU50D, LYS57D, SER55D, THR89A, TRP49D, TRP83D, VAL84A
• A-G: ALA44A, ALA44G, ALA51A, ALA51G, ALA58A, ALA58G, ALA82G, ALA85G, ALA86G, ARG115A, ARG115G, ARG48A, ARG4A, ARG88G, ASN31A, ASP116A, ASP47A, ASP47G, ASP56A, ASP56G, ASP81G, CYS53A, GLN45A, GLU30A, GLU52A, GLY54A, GLY54G, GLY87G, HIS59A, HIS59G, LEU50A, LYS114A, LYS57A, LYS57G, SER55A, SER55G, THR89G, TRP49A, TRP80G, TRP83G, VAL79G, VAL84G
• A-I: ARG115A, PRO10I
• A-J: ALA51J, ALA58J, ALA82J, ALA85J, ALA86J, ARG115J, ARG11A, ARG48A, ARG4A, ASP47J, ASP56J, GLY54J, GLY7A, HIS59J, LEU50J, LYS57J, PHE6A, PRO10A, SER55J, THR8A, THR9A, TRP83J, TYR5A
• B-C: ALA100B, ALA112C, ALA117C, ALA15B, ALA18B, ALA58C, ALA63C, ALA74C, ALA82C, ALA85C, ALA86C, ALA91C, ALA93C, ALA97B, ALA97C, ARG101B, ARG115C, ARG11B, ARG4B, ARG68B, ARG68C, ARG88C, ARG92C, ARG98B, ARG98C, ASN19B, ASN19C, ASN77C, ASP116C, ASP2B, ASP56C, ASP62C, ASP69C, ASP81C, CYS94C, GLU107B, GLU14B, GLU96B, GLU96C, GLY17B, GLY20C, GLY26B, GLY71C, GLY78C, GLY7B, GLY87C, HIS-1B, HIS0B, HIS0C, HIS59C, ILE108B, ILE110B, ILE110C, ILE22B, ILE22C, ILE3B, ILE65B, ILE65C, LEU21B, LEU21C, LEU24B, LEU61C, LEU67B, LEU67C, LEU99B, LYS109B, LYS109C, LYS114C, LYS57C, PHE23B, PHE23C, PHE6B, PRO10B, PRO90C, SER13B, SER25B, SER55C, THR111B, THR111C, THR89C, THR8B, THR9B, TRP104B, TRP80C, TRP83C, TYR12B, TYR5B, TYR66B, TYR66C, TYR73C, VAL113C, VAL16B, VAL28B, VAL60C, VAL64B, VAL64C, VAL84C, VAL95B, VAL95C
• B-J: ALA40J, ALA44J, ALA51J, ALA58B, ALA82B, ALA85B, ALA86B, ARG115J, ARG48J, ARG88B, ASP47J, ASP56J, ASP81B, GLN45J, GLU52J, GLY54J, GLY87B, ILE46J, LEU43J, LEU50J, LYS57J, SER55J, THR89B, TRP49J, TRP83J, VAL84B
• C-D: ALA51D, ALA58D, ALA82D, ALA85D, ALA86D, ARG115D, ARG11C, ARG4C, ASP47D, ASP56D, ASP81D, GLU37D, GLU52C, GLY54D, GLY78D, GLY7C, HIS-1C, HIS59D, LYS57D, PHE6C, PRO10C, SER13C, SER55D, THR8C, THR9C, TRP49C, TRP83D, TYR5C, VAL79D, VAL84D
• C-L: ALA117C, ALA36L, ALA44C, ALA51C, ALA51L, ALA58C, ALA58L, ALA82L, ALA85C, ALA85L, ALA86L, ARG115C, ARG115L, ARG48C, ARG48L, ARG4C, ARG88L, ASN31C, ASP116C, ASP47C, ASP47L, ASP56C, ASP56L, ASP81L, GLN45C, GLU30C, GLU52C, GLY54C, GLY78L, GLY87L, HIS59C, HIS59L, LEU50C, LEU50L, LYS57C, LYS57L, SER55C, SER55L, TRP80L, TRP83L, VAL79L, VAL84L
• D-E: ALA100E, ALA112D, ALA117D, ALA15E, ALA18D, ALA18E, ALA58D, ALA63D, ALA74D, ALA82D, ALA85D, ALA86D, ALA91D, ALA93D, ALA97D, ALA97E, ARG101E, ARG115D, ARG11E, ARG4E, ARG68D, ARG68E, ARG88D, ARG92D, ARG98D, ARG98E, ASN19D, ASN19E, ASN77D, ASP116D, ASP2E, ASP56D, ASP62D, ASP69D, ASP81D, CYS94D, GLU107E, GLU14E, GLU96D, GLU96E, GLY17E, GLY20D, GLY26E, GLY71D, GLY78D, GLY7E, GLY87D, HIS0E, HIS59D, ILE108E, ILE110E, ILE22D, ILE22E, ILE3E, ILE65D, ILE65E, LEU21D, LEU21E, LEU24E, LEU61D, LEU67D, LEU67E, LEU99E, LYS109D, LYS109E, LYS114D, LYS57D, PHE23D, PHE23E, PHE6E, PRO10E, PRO90D, SER13E, SER25E, SER55D, THR111D, THR111E, THR89D, THR8E, THR9E, TRP104E, TRP80D, TRP83D, TYR12E, TYR5E, TYR66D, TYR66E, TYR73D, VAL113D, VAL16E, VAL28E, VAL60D, VAL64D, VAL64E, VAL79D, VAL84D, VAL95D, VAL95E
• D-F: ALA100D, ALA112F, ALA15D, ALA18D, ALA58F, ALA63F, ALA74F, ALA82F, ALA85F, ALA86F, ALA91F, ALA93F, ALA97D, ALA97F, ARG101D, ARG115F, ARG11D, ARG4D, ARG68D, ARG68F, ARG88F, ARG92F, ARG98D, ARG98F, ASN19D, ASN19F, ASN77F, ASP116F, ASP2D, ASP56F, ASP62F, ASP69F, ASP72F, ASP81F, CYS94F, GLU107D, GLU14D, GLU75F, GLU96D, GLU96F, GLY17D, GLY20D, GLY20F, GLY26D, GLY71F, GLY78F, GLY7D, GLY87F, HIS0D, HIS59F, ILE108D, ILE110D, ILE22D, ILE22F, ILE3D, ILE65D, ILE65F, LEU21D, LEU21F, LEU24D, LEU61F, LEU67D, LEU67F, LEU99D, LYS109D, LYS109F, LYS114F, LYS57F, PHE23D, PHE23F, PHE6D, PRO10D, PRO90F, SER13D, SER25D, SER55F, THR111D, THR111F, THR89F, THR8D, THR9D, TRP104D, TRP80F, TYR12D, TYR5D, TYR66D, TYR66F, TYR73F, VAL113F, VAL16D, VAL28D, VAL60F, VAL64D, VAL64F, VAL84F, VAL95D, VAL95F
• D-G: ARG48D, GLY87G
• D-I: ALA44I, ARG101D, ARG101I, ARG11D, ARG48D, ARG48I, ASN31D, ASN31I, GLN45I, GLU30D, GLU30I, GLU52I, GLY7D, GLY7I, PRO10D, PRO10I, THR8D, THR8I, THR9D, THR9I, TRP49I, TYR12D
• D-L: ALA51L, ALA74D, ALA82D, ALA85D, ALA86D, ARG48L, ARG88D, ASN31L, ASP81D, GLU30L, GLU52L, GLY78D, GLY87D
• E-F: ALA100F, ALA112E, ALA15F, ALA18E, ALA18F, ALA58E, ALA63E, ALA74E, ALA82E, ALA85E, ALA86E, ALA91E, ALA93E, ALA97E, ALA97F, ARG101F, ARG115E, ARG11F, ARG4F, ARG68E, ARG68F, ARG88E, ARG92E, ARG98E, ARG98F, ASN19E, ASN19F, ASN77E, ASP2F, ASP56E, ASP62E, ASP69E, ASP81E, CYS94E, GLU107F, GLU14F, GLU75E, GLU96E, GLU96F, GLY17F, GLY20E, GLY26F, GLY71E, GLY78E, GLY7F, GLY87E, HIS0F, HIS59E, ILE108F, ILE110F, ILE22E, ILE22F, ILE3F, ILE65E, ILE65F, LEU21E, LEU21F, LEU24F, LEU61E, LEU61F, LEU67E, LEU67F, LEU99F, LYS109E, LYS109F, LYS114E, LYS57E, PHE23E, PHE23F, PHE6F, PRO10F, PRO90E, SER13F, SER25F, SER55E, THR111E, THR111F, THR89E, THR8F, THR9F, TRP104F, TRP80E, TRP83E, TYR12F, TYR5F, TYR66E, TYR66F, TYR73E, VAL113E, VAL16F, VAL28F, VAL60E, VAL64E, VAL64F, VAL84E, VAL95E, VAL95F
• E-L: ALA44L, ALA51L, ARG101E, ARG101L, ARG11E, ARG11L, ARG48E, ARG48L, ARG4L, ASN31E, ASN31L, ASP41E, GLN45E, GLN45L, GLU14E, GLU14L, GLU30E, GLU30L, GLU52L, GLY7E, GLY7L, PHE6L, PRO10E, PRO10L, THR8E, THR8L, THR9E, THR9L, TRP49E, TRP49L
• F-I: ALA74F, ASN31I
• F-K: ALA51F, ALA58F, ALA82F, ALA85F, ALA86F, ARG115F, ARG11K, ARG4K, ASP47F, ASP56F, ASP81F, GLU52K, GLY54F, GLY78F, GLY7K, HIS59F, LEU50F, LYS57F, PHE6K, PRO10K, SER13K, SER55F, THR8K, THR9K, TRP49K, TRP83F, TYR5K, VAL79F, VAL84F
• G-H: ALA100G, ALA112H, ALA15G, ALA18G, ALA18H, ALA58H, ALA63H, ALA74H, ALA82H, ALA85H, ALA86H, ALA91H, ALA93H, ALA97G, ALA97H, ARG101G, ARG115H, ARG11G, ARG4G, ARG68G, ARG68H, ARG88H, ARG92H, ARG98G, ARG98H, ASN19G, ASN19H, ASN77H, ASP2G, ASP56H, ASP62H, ASP69H, ASP81H, CYS94H, GLU107G, GLU14G, GLU96G, GLU96H, GLY17G, GLY20H, GLY26G, GLY71H, GLY78H, GLY7G, GLY87H, HIS59H, ILE108G, ILE110G, ILE22G, ILE22H, ILE3G, ILE65G, ILE65H, LEU21G, LEU21H, LEU24G, LEU61H, LEU67G, LEU67H, LEU99G, LYS109G, LYS109H, LYS114H, LYS57H, PHE23G, PHE23H, PHE6G, PRO10G, PRO90H, SER13G, SER25G, SER55H, THR111G, THR111H, THR89H, THR8G, THR9G, TRP104G, TRP80H, TRP83H, TYR12G, TYR5G, TYR66G, TYR66H, TYR73H, VAL113H, VAL16G, VAL28G, VAL60H, VAL64G, VAL64H, VAL84H, VAL95G, VAL95H
• G-I: ALA100I, ALA112G, ALA15I, ALA18G, ALA18I, ALA58G, ALA63G, ALA74G, ALA82G, ALA85G, ALA86G, ALA91G, ALA93G, ALA97G, ALA97I, ARG101I, ARG115G, ARG11I, ARG4I, ARG68G, ARG68I, ARG88G, ARG92G, ARG98G, ARG98I, ASN19G, ASN19I, ASN77G, ASP2I, ASP56G, ASP62G, ASP69G, ASP81G, CYS94G, GLU107I, GLU14I, GLU96G, GLU96I, GLY17I, GLY20G, GLY26I, GLY71G, GLY78G, GLY7I, GLY87G, HIS59G, ILE108I, ILE110I, ILE22G, ILE22I, ILE3I, ILE65G, ILE65I, LEU21G, LEU21I, LEU24I, LEU61G, LEU67G, LEU67I, LEU99I, LYS109G, LYS109I, LYS114G, LYS57G, PHE23G, PHE23I, PHE6I, PRO10I, PRO90G, SER13I, SER25I, SER55G, THR111G, THR111I, THR89G, THR8I, THR9I, TRP104I, TRP80G, TRP83G, TYR12I, TYR5I, TYR66G, TYR66I, TYR73G, VAL113G, VAL16I, VAL28I, VAL60G, VAL64G, VAL64I, VAL84G, VAL95G, VAL95I
• G-J: ALA44G, ALA51G, ALA74J, ALA82J, ALA85J, ALA86J, ARG48G, ARG4G, ARG88J, ASN31G, ASN77J, ASP41G, ASP47G, ASP81J, CYS53G, GLN45G, GLU30G, GLU52G, GLU75J, GLY32G, GLY54G, GLY78J, GLY87J, LEU50G, PHE6G, THR89J, TRP49G, TRP80J, TRP83J, TYR73J, VAL79J, VAL84J
• H-I: ALA100H, ALA112I, ALA117I, ALA15H, ALA18H, ALA58I, ALA63I, ALA74I, ALA82I, ALA85I, ALA86I, ALA91I, ALA93I, ALA97H, ALA97I, ARG101H, ARG115I, ARG11H, ARG4H, ARG68H, ARG68I, ARG88I, ARG92I, ARG98H, ARG98I, ASN19H, ASN19I, ASN77I, ASP116I, ASP2H, ASP56I, ASP62I, ASP69I, ASP81I, CYS94I, GLU107H, GLU14H, GLU96H, GLU96I, GLY17H, GLY20I, GLY26H, GLY71I, GLY78I, GLY7H, GLY87I, HIS0H, HIS59I, ILE108H, ILE110H, ILE22H, ILE22I, ILE3H, ILE65H, ILE65I, LEU21H, LEU21I, LEU24H, LEU61I, LEU67H, LEU67I, LEU99H, LYS109H, LYS109I, LYS114I, LYS57I, PHE23H, PHE23I, PHE6H, PRO10H, PRO90I, SER13H, SER25H, SER55I, THR111H, THR111I, THR89I, THR8H, THR9H, TRP104H, TRP80I, TRP83I, TYR12H, TYR5H, TYR66H, TYR66I, TYR73I, VAL113I, VAL16H, VAL28H, VAL60I, VAL64H, VAL64I, VAL84I, VAL95H, VAL95I
• I-K: ALA117I, ALA117K, ALA44K, ALA51I, ALA51K, ALA58K, ALA82I, ALA85I, ALA85K, ALA86I, ARG115I, ARG115K, ARG48K, ARG88I, ASN31K, ASP116K, ASP47I, ASP47K, ASP56I, ASP56K, ASP81I, GLY54K, GLY78I, LYS57I, LYS57K, SER55K, TRP83I, VAL79I, VAL84I