3KJK

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

• Total interactions analyzed: 66
• Total true interactions: 27
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 24
  • Norm. En. per Res.: -8.3855
• 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	-41.7379	-39.9024	-282.232	-363.8723	96	14	15	11043	4	25	19
A-C	-58.8314	-39.4904	-273.273	-371.5948	94	11	15	10972	3	25	18
A-E	0.0	24.3348	-8.5208	15.814	6	3	0	334	0	4	4
A-F	-45.8513	-89.7016	-37.1615	-172.7144	23	6	0	1333	13	24	27
A-H	-6.6778	-28.8605	-16.8902	-52.4285	24	3	0	995	2	6	6
A-I	-13.7703	-28.6564	-4.7657	-47.1924	12	1	0	344	3	8	10
B-C	-56.4844	-44.1889	-272.008	-372.6813	96	13	15	11017	4	26	18
B-D	0.0	0.0	-8.8137	-8.8137	7	3	0	324	0	2	3
B-E	-40.615	-124.1522	-36.4838	-201.251	24	6	0	1453	12	27	30
B-H	0.0	0.0	-7.5716	-7.5716	14	0	0	470	0	5	5
C-D	-47.7037	-91.4858	-36.5425	-175.732	23	6	0	1352	12	24	27
C-F	0.0	0.0	-5.3767	-5.3767	6	1	0	308	0	3	3
D-E	-67.9597	-40.4265	-291.709	-400.0952	96	15	15	11350	3	26	18
D-F	-64.3441	-40.9966	-290.761	-396.1017	94	15	15	11177	4	26	18
E-F	-47.0791	-31.542	-290.291	-368.9121	94	12	16	11057	3	26	19
G-H	-46.9642	-45.4937	-286.58	-379.0379	94	15	15	11007	4	25	18
G-I	-62.5447	-44.374	-269.499	-376.4177	96	16	15	10762	4	26	18
G-J	-53.2208	-90.2595	-32.0128	-175.4931	22	5	0	1123	11	22	27
G-L	0.0	20.4851	-8.1098	12.3753	6	1	0	319	0	3	4
H-I	-67.7924	-36.9434	-279.841	-384.5768	95	14	15	10992	4	26	18
H-K	0.0	24.7537	-10.696	14.0577	7	2	0	369	0	4	4
H-L	-36.3209	-113.8119	-33.106	-183.2388	24	5	0	1357	11	24	29
I-J	0.0	23.445	-8.0534	15.3916	6	2	0	309	0	3	3
I-K	-40.8824	-106.8052	-35.7473	-183.4348	22	6	0	1406	12	25	30
J-K	-53.0409	-39.6674	-291.602	-384.3104	94	14	15	11215	4	26	18
J-L	-50.9086	-49.5133	-286.405	-386.8269	96	11	15	10925	3	26	18
K-L	-51.0894	-43.7812	-292.212	-387.0826	95	12	15	11337	4	26	19

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, ASP2A5, ASP56B, ASP62B, ASP69B, ASP81B, CB7.6765363.23764, CYS94B, GLU107A, GLU14A, GLU96A, GLU96B, GLY17A, GLY20B, GLY26A, GLY71B, GLY78B, GLY7A, GLY87B, 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, HIS59A, ILE108C, ILE110C, ILE22A, 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, TRP83A, TYR12C, TYR5C, TYR66A, TYR66C, TYR73A, VAL113A, VAL16C, VAL28C, VAL60A, VAL64A, VAL64C, VAL84A, VAL95A, VAL95C
• A-E: ARG68A, ARG68E, ARG98A, ARG98E, PRO102A, PRO102E
• A-F: ALA97A, ARG105A, ARG105F, ARG68A, ARG68F, ARG98A, ARG98F, ASP69A, ASP69F, ASP72A, ASP72F, GLU103A, GLU103F, GLU96A, GLU96F, GLY71A, GLY71F, LEU67A, LEU67F, PRO102A, PRO102F, THR34A, THR34F
• A-H: ARG4A, ARG4H, ASN19H, ASP2A, ASP2A5, ASP2H, CB9.698864.55568, CYS53A, GLU52A, GLU52H, GLY17A, GLY7A, ILE3A, ILE3H, LYS114A, LYS114H, PHE6A, PHE6H, PRO10A, SER13A, THR8A, THR9A, TYR5A, TYR5H
• A-I: ALA58I, ARG115I, ARG4A, ARG88I, ASP116I, GLU52A, GLY54A, GLY7A, HIS59I, LYS114A, PHE6A, TRP49A
• B-C: ALA100B, ALA112C, 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, GLU75C, GLU96B, GLU96C, GLY17B, GLY20C, GLY26B, GLY71C, GLY78C, GLY7B, GLY87C, 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-D: ALA97D, ARG68B, ARG68D, ARG98B, ARG98D, PRO102B, PRO102D
• B-E: ALA35B, ALA97E, ARG105B, ARG105E, ARG68B, ARG68E, ARG98B, ARG98E, ASP69B, ASP69E, ASP72B, ASP72E, GLU103B, GLU103E, GLU96B, GLU96E, GLY71B, GLY71E, LEU67B, PRO102B, PRO102E, THR34B, THR34E, TYR73B
• B-H: ALA51H, ALA58B, ALA86B, ARG115H, ARG4H, ARG88B, ASP116H, CYS53H, GLU52H, GLY54H, GLY87B, LYS114H, PHE6H, THR89B
• C-D: ALA97D, ARG105C, ARG105D, ARG68C, ARG68D, ARG98C, ARG98D, ASP69C, ASP69D, ASP72C, ASP72D, GLU103C, GLU103D, GLU96C, GLU96D, GLY71C, GLY71D, LEU67C, LEU67D, PRO102C, PRO102D, THR34C, THR34D
• C-F: ARG68C, ARG68F, ARG98C, ARG98F, PRO102C, PRO102F
• D-E: ALA100D, ALA112E, ALA15D, ALA18D, ALA18E, ALA58E, ALA63E, ALA74E, ALA82E, ALA85E, ALA86E, ALA91E, ALA93E, ALA97D, ALA97E, ARG101D, ARG115E, ARG11D, ARG4D, ARG68D, ARG68E, ARG88E, ARG92E, ARG98D, ARG98E, ASN19D, ASN19E, ASN77E, ASP116E, ASP2D, ASP56E, ASP62D, ASP62E, ASP69E, ASP81E, CYS94E, GLU107D, GLU14D, GLU96D, GLU96E, GLY17D, GLY20E, GLY26D, GLY71E, GLY78E, GLY7D, GLY87E, HIS59E, ILE108D, ILE110D, ILE110E, ILE22D, ILE22E, ILE3D, ILE65D, ILE65E, LEU21D, LEU21E, LEU24D, LEU61E, LEU67D, LEU67E, LEU99D, LYS109D, LYS109E, LYS114E, LYS57E, PHE23D, PHE23E, PHE6D, PRO10D, PRO90E, SER13D, SER25D, SER55E, THR111D, THR111E, THR89E, THR8D, THR9D, TRP104D, TRP80E, TYR12D, TYR5D, TYR66D, TYR66E, TYR73E, VAL113E, VAL16D, VAL28D, VAL60E, VAL64D, VAL64E, VAL84E, VAL95D, VAL95E
• D-F: ALA100F, ALA112D, ALA15F, ALA18F, ALA58D, ALA63D, ALA74D, ALA82D, ALA85D, ALA86D, ALA91D, ALA93D, ALA97D, ALA97F, ARG101F, ARG115D, ARG11F, ARG4F, ARG68D, ARG68F, ARG88D, ARG92D, ARG98D, ARG98F, ASN19D, ASN19F, ASN77D, ASP116D, ASP2F, ASP56D, ASP62D, ASP69D, ASP81D, CYS94D, GLU107F, GLU14F, GLU96D, GLU96F, GLY17F, GLY20D, GLY26F, GLY71D, GLY78D, GLY7F, GLY87D, HIS59D, ILE108F, ILE110F, ILE22D, ILE22F, ILE3F, ILE65D, ILE65F, LEU21D, LEU21F, LEU24F, LEU61D, LEU67D, LEU67F, LEU99F, LYS109D, LYS109F, LYS114D, LYS57D, PHE23D, PHE23F, PHE6F, PRO10F, PRO90D, SER13F, SER25F, SER55D, THR111D, THR111F, THR89D, THR8F, THR9F, TRP104F, TRP80D, TRP83D, TYR12F, TYR5F, TYR66D, TYR66F, TYR73D, VAL113D, VAL16F, VAL28F, VAL60D, VAL64D, VAL64F, VAL84D, VAL95D, VAL95F
• E-F: ALA100E, ALA112F, ALA15E, ALA18E, ALA58F, ALA63F, ALA74F, ALA82F, ALA85F, ALA86F, ALA91F, ALA93F, ALA97E, ALA97F, ARG101E, ARG115F, ARG11E, ARG4E, ARG68E, ARG68F, ARG88F, ARG92F, ARG98E, ARG98F, ASN19E, ASN19F, ASN77F, ASP116F, ASP2E, ASP56F, ASP62F, ASP69F, ASP81F, CYS94F, GLU107E, GLU14E, GLU75F, GLU96E, GLU96F, GLY17E, GLY20F, GLY26E, GLY71F, GLY78F, GLY7E, GLY87F, HIS59F, ILE108E, ILE110E, ILE22E, ILE22F, ILE3E, ILE65E, ILE65F, LEU21E, LEU21F, LEU24E, LEU61F, LEU67E, LEU67F, LEU99E, LYS109E, LYS109F, LYS114F, LYS57F, PHE23E, PHE23F, PHE6E, PRO10E, PRO90F, SER13E, SER25E, SER55F, THR111E, THR111F, THR89F, THR8E, THR9E, TRP104E, TRP80F, TYR12E, TYR5E, TYR66E, TYR66F, TYR73F, VAL113F, VAL16E, VAL28E, VAL60F, VAL64E, VAL64F, VAL84F, VAL95E, VAL95F
• G-H: ALA100G, ALA112H, ALA15G, ALA18G, ALA58H, ALA63H, ALA74H, ALA82H, ALA85H, ALA86H, ALA91H, ALA93H, ALA97G, ALA97H, ARG101G, ARG115H, ARG11G, ARG4G, ARG68G, ARG68H, ARG88H, ARG92H, ARG98G, ARG98H, ASN19G, ASN19H, ASN77H, ASP116H, 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, ALA18I, ALA58G, ALA63G, ALA74G, ALA82G, ALA85G, ALA86G, ALA91G, ALA93G, ALA97G, ALA97I, ARG101I, ARG115G, ARG11I, ARG4I, ARG68G, ARG68I, ARG88G, ARG92G, ARG98G, ARG98I, ASN19G, ASN19I, ASN77G, ASP116G, ASP2I, ASP56G, ASP62G, ASP69G, ASP81G, CYS94G, GLU107I, GLU14I, GLU75G, 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, VAL79G, VAL84G, VAL95G, VAL95I
• G-J: ARG105G, ARG105J, ARG68G, ARG68J, ARG98G, ARG98J, ASP69G, ASP69J, ASP72G, ASP72J, GLU103G, GLU103J, GLU96G, GLU96J, GLY71G, GLY71J, LEU67G, LEU67J, PRO102G, PRO102J, THR34G, THR34J
• G-L: ARG68G, ARG68L, ARG98G, ARG98L, PRO102G, PRO102L
• H-I: ALA100H, ALA112I, 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, GLU75I, GLU96H, GLU96I, GLY17H, GLY20I, GLY26H, GLY71I, GLY78I, GLY7H, GLY87I, 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
• H-K: ARG68H, ARG68K, ARG98H, ARG98K, LEU99H, PRO102H, PRO102K
• H-L: ARG105H, ARG105L, ARG68H, ARG68L, ARG98H, ARG98L, ASP69H, ASP69L, ASP72H, ASP72L, GLU103H, GLU103L, GLU33H, GLU75L, GLU96H, GLU96L, GLY71H, GLY71L, LEU67H, LEU67L, PRO102H, PRO102L, THR34H, THR34L
• I-J: ARG68I, ARG68J, ARG98I, ARG98J, PRO102I, PRO102J
• I-K: ALA35I, ARG105I, ARG105K, ARG68I, ARG68K, ARG98I, ARG98K, ASP69I, ASP69K, ASP72I, ASP72K, GLU103I, GLU103K, GLU96I, GLU96K, GLY71I, GLY71K, LEU67K, PRO102I, PRO102K, THR34I, THR34K
• J-K: ALA100J, ALA112K, ALA15J, ALA18J, ALA58K, ALA63K, ALA74K, ALA82K, ALA85K, ALA86K, ALA91K, ALA93K, ALA97J, ALA97K, ARG101J, ARG115K, ARG11J, ARG4J, ARG68J, ARG68K, ARG88K, ARG92K, ARG98J, ARG98K, ASN19J, ASN19K, ASN77K, ASP116K, ASP2J, ASP56K, ASP62K, ASP69K, ASP81K, CYS94K, GLU107J, GLU14J, GLU96J, GLU96K, GLY17J, GLY20K, GLY26J, GLY71K, GLY78K, GLY7J, GLY87K, HIS59K, ILE108J, ILE110J, ILE22J, ILE22K, ILE3J, ILE65J, ILE65K, LEU21J, LEU21K, LEU24J, LEU61K, LEU67J, LEU67K, LEU99J, LYS109J, LYS109K, LYS114K, LYS57K, PHE23J, PHE23K, PHE6J, PRO10J, PRO90K, SER13J, SER25J, SER55K, THR111J, THR111K, THR89K, THR8J, THR9J, TRP104J, TRP80K, TRP83K, TYR12J, TYR5J, TYR66J, TYR66K, TYR73K, VAL113K, VAL16J, VAL28J, VAL60K, VAL64J, VAL64K, VAL84K, VAL95J, VAL95K
• J-L: ALA100L, ALA112J, ALA15L, ALA18L, ALA58J, ALA63J, ALA74J, ALA82J, ALA85J, ALA86J, ALA91J, ALA93J, ALA97J, ALA97L, ARG101L, ARG115J, ARG11L, ARG4L, ARG68J, ARG68L, ARG88J, ARG92J, ARG98J, ARG98L, ASN19J, ASN19L, ASN77J, ASP116J, ASP2L, ASP56J, ASP62J, ASP69J, ASP81J, CYS94J, GLU107L, GLU14L, GLU75J, GLU96J, GLU96L, GLY17L, GLY20J, GLY26L, GLY71J, GLY78J, GLY7L, GLY87J, HIS59J, ILE108L, ILE110L, ILE22J, ILE22L, ILE3L, ILE65J, ILE65L, LEU21J, LEU21L, LEU24L, LEU61J, LEU67J, LEU67L, LEU99L, LYS109J, LYS109L, LYS114J, LYS57J, PHE23J, PHE23L, PHE6L, PRO10L, PRO90J, SER13L, SER25L, SER55J, THR111J, THR111L, THR89J, THR8L, THR9L, TRP104L, TRP80J, TRP83J, TYR12L, TYR5L, TYR66J, TYR66L, TYR73J, VAL113J, VAL16L, VAL28L, VAL60J, VAL64J, VAL64L, VAL79J, VAL84J, VAL95J, VAL95L
• K-L: ALA100K, ALA112L, ALA15K, ALA18K, ALA18L, ALA58L, ALA63L, ALA74L, ALA82L, ALA85L, ALA86L, ALA91L, ALA93L, ALA97K, ALA97L, ARG101K, ARG115L, ARG11K, ARG4K, ARG68K, ARG68L, ARG88L, ARG92L, ARG98K, ARG98L, ASN19K, ASN19L, ASN77L, ASP116L, ASP2K, ASP56L, ASP62L, ASP69L, ASP81L, CYS94L, GLU107K, GLU14K, GLU75L, GLU96K, GLU96L, GLY17K, GLY20L, GLY26K, GLY71L, GLY78L, GLY7K, GLY87L, HIS59L, ILE108K, ILE110K, ILE22K, ILE22L, ILE3K, ILE65K, ILE65L, LEU21K, LEU21L, LEU24K, LEU61L, LEU67K, LEU67L, LEU99K, LYS109K, LYS109L, LYS114L, LYS57L, PHE23K, PHE23L, PHE6K, PRO10K, PRO90L, SER13K, SER25K, SER55L, THR111K, THR111L, THR89L, THR8K, THR9K, TRP104K, TRP80L, TYR12K, TYR5K, TYR66K, TYR66L, TYR73L, VAL113L, VAL16K, VAL28K, VAL60L, VAL64K, VAL64L, VAL84L, VAL95K, VAL95L