2I45

crystal structure of protein nmb1881 from neisseria meningitidis

• Total interactions analyzed: 45
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 37
  • Norm. En. per Res.: -3.0485
• Hub Node: C(2)

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	-12.9901	-16.708	-227.766	-257.4641	92	13	10	9606	0	30	31
B-C	-29.0943	8.7256	-92.4257	-112.7944	37	2	3	3341	0	14	9
B-J	-5.8566	-5.7106	-95.9667	-107.5339	37	3	3	3485	0	15	10
C-D	-33.9128	-12.5682	-225.892	-272.373	92	11	9	9440	0	27	34
C-J	0.0	0.0	-3.0909	-3.0909	14	0	0	340	0	8	2
E-F	-17.5558	-12.9201	-220.591	-251.0669	88	11	10	9704	0	28	31
F-G	-2.637	8.2639	-92.345	-86.7181	35	4	3	3235	0	15	12
G-H	-5.3525	-8.74	-230.469	-244.5615	93	11	10	9859	0	25	29
G-J	0.0	0.0	-0.2528	-0.2528	3	0	0	28	0	3	1
H-I	-14.699	-23.9669	-49.3279	-87.9938	41	19	1	2638	1	16	13
H-J	0.0	0.0	-14.2918	-14.2918	17	0	0	804	0	2	6
I-J	-12.4612	-16.4028	-226.988	-255.852	88	8	10	9449	0	30	31

Interface residues

• A-B: ALA54A, ALA54B, ALA60A, ALA60B, ALA77A, ALA77B, ARG26A, ARG26B, ARG72A, ARG72B, ASN25A, ASN25B, ASN3B, ASN7A, ASN7B, ASP49A, ASP49B, GLN10A, GLN10B, GLN30A, GLN30B, GLU4A, GLU4B, GLU73A, GLU73B, GLU75A, GLU75B, GLU99A, GLU99B, GLY28A, GLY28B, GLY74A, GLY74B, HIS11A, HIS11B, HIS27A, HIS27B, ILE24A, ILE6A, ILE6B, ILE71A, ILE71B, ILE98A, ILE98B, LEU100A, LEU100B, LEU12A, LEU52A, LEU52B, LEU8A, LEU8B, LEU97A, LYS50A, LYS50B, LYS81A, LYS81B, LYS9A, LYS9B, PHE29A, PHE29B, PHE31A, PHE31B, PHE53A, PHE53B, PHE63A, PHE63B, PRO80A, PRO80B, SER101A, SER101B, SER48A, SER48B, SER68A, SER68B, THR5A, THR5B, THR70A, THR70B, VAL51A, VAL51B, VAL55A, VAL55B, VAL61A, VAL61B, VAL78A, VAL78B, VAL79A, VAL79B, VAL83A, VAL83B, VAL96A, VAL96B
• B-C: ALA64C, ARG86B, ARG86C, ARG88B, ARG88C, ASN91B, ASP39B, ASP39C, ASP62C, ASP65C, GLN20B, GLU17B, GLU90B, GLY38B, GLY41B, GLY41C, GLY66C, GLY67C, GLY92B, HIS43C, HIS85C, LEU36B, LEU37B, LYS16B, LYS35B, PHE63C, SER68C, SER82C, SER84C, SER89B, THR44C, TRP19B, TRP42C, TYR18B, TYR40B, TYR40C, VAL83C
• B-J: ALA64B, ARG86B, ARG86J, ARG88J, ASN91J, ASP39B, ASP39J, ASP62B, ASP65B, GLN20J, GLU17J, GLU90J, GLY38J, GLY41B, GLY41J, GLY66B, GLY67B, GLY92J, HIS43B, HIS85B, LEU36J, LEU37J, LYS16J, LYS35J, PHE63B, SER68B, SER82B, SER84B, SER89J, THR44B, TRP19J, TRP42B, TRP42J, TYR18J, TYR40B, TYR40J, VAL83B
• C-D: ALA54C, ALA54D, ALA60C, ALA60D, ALA77C, ALA77D, ARG26C, ARG26D, ARG72C, ARG72D, ASN25C, ASN25D, ASN7C, ASN7D, ASP49C, ASP49D, GLN10C, GLN10D, GLN30C, GLN30D, GLU4C, GLU4D, GLU73C, GLU73D, GLU75C, GLU75D, GLU99C, GLU99D, GLY28C, GLY28D, GLY74C, GLY74D, HIS11C, HIS11D, HIS27C, HIS27D, ILE24C, ILE24D, ILE6C, ILE6D, ILE71C, ILE71D, ILE98C, ILE98D, LEU100C, LEU100D, LEU12C, LEU12D, LEU52C, LEU52D, LEU8C, LEU8D, LYS50C, LYS50D, LYS81C, LYS81D, LYS9C, LYS9D, PHE29C, PHE29D, PHE31C, PHE31D, PHE53C, PHE53D, PHE63C, PHE63D, PRO80C, PRO80D, SER101C, SER101D, SER48C, SER48D, SER68C, SER68D, THR5C, THR5D, THR70C, THR70D, TYR47D, VAL51C, VAL51D, VAL55C, VAL55D, VAL61D, VAL78C, VAL78D, VAL79C, VAL79D, VAL83C, VAL83D, VAL96C, VAL96D
• C-J: ARG72J, ASN91J, ASP58J, GLU90J, GLU99C, GLY46C, HIS43C, HIS45C, SER101C, SER48C, SER82C, THR44C, THR70J, TYR47C
• E-F: ALA54E, ALA54F, ALA60E, ALA60F, ALA77E, ALA77F, ARG26E, ARG26F, ARG72E, ARG72F, ASN25E, ASN25F, ASN7E, ASN7F, ASP49E, ASP49F, GLN10E, GLN10F, GLN30E, GLN30F, GLU4E, GLU4F, GLU73E, GLU73F, GLU75E, GLU75F, GLU99E, GLU99F, GLY28E, GLY28F, GLY74E, GLY74F, HIS11E, HIS11F, HIS27E, HIS27F, ILE24E, ILE24F, ILE6E, ILE6F, ILE71E, ILE71F, ILE98E, ILE98F, LEU100E, LEU100F, LEU52E, LEU52F, LEU8E, LEU8F, LYS50E, LYS50F, LYS81E, LYS81F, LYS9E, LYS9F, PHE29E, PHE29F, PHE31E, PHE31F, PHE53E, PHE53F, PHE63E, PHE63F, PRO80E, PRO80F, SER101E, SER101F, SER48E, SER48F, SER68E, THR5E, THR5F, THR70E, THR70F, VAL51E, VAL51F, VAL55E, VAL55F, VAL61E, VAL78E, VAL78F, VAL79E, VAL79F, VAL83E, VAL83F, VAL96E, VAL96F
• F-G: ALA64G, ARG86F, ARG86G, ARG88F, ARG88G, ASN91F, ASP39F, ASP39G, ASP62G, ASP65G, GLN20F, GLU17F, GLU90F, GLY38F, GLY41F, GLY41G, GLY66G, GLY67G, GLY92F, HIS43G, HIS85G, LEU36F, LEU37F, LYS16F, LYS35F, PHE63G, SER68G, SER84G, SER89F, THR44G, TRP19F, TRP42G, TYR18F, TYR40F, TYR40G
• G-H: ALA54G, ALA54H, ALA60G, ALA60H, ALA77G, ALA77H, ARG26G, ARG26H, ARG72G, ARG72H, ASN25G, ASN25H, ASN7G, ASN7H, ASP49G, ASP49H, GLN10G, GLN10H, GLN30G, GLN30H, GLU4G, GLU4H, GLU73G, GLU73H, GLU75G, GLU75H, GLU99G, GLU99H, GLY28G, GLY28H, GLY74G, GLY74H, HIS11G, HIS11H, HIS27G, HIS27H, ILE24G, ILE24H, ILE6G, ILE6H, ILE71G, ILE71H, ILE98G, ILE98H, LEU100G, LEU100H, LEU33H, LEU52G, LEU52H, LEU8G, LEU8H, LEU97G, LEU97H, LYS50G, LYS50H, LYS81G, LYS81H, LYS9G, LYS9H, PHE29G, PHE29H, PHE31G, PHE31H, PHE53G, PHE53H, PHE63G, PHE63H, PRO80G, PRO80H, SER101G, SER101H, SER48G, SER48H, SER68G, THR5G, THR5H, THR70G, THR70H, TYR47G, VAL51G, VAL51H, VAL55G, VAL55H, VAL61G, VAL61H, VAL78G, VAL78H, VAL79G, VAL79H, VAL83G, VAL83H, VAL96G, VAL96H
• G-J: ASP49G, GLN10J, LYS81G
• H-I: ALA60I, ARG72I, ARG88I, ASN91I, ASP49H, ASP58I, ASP62I, CYS93I, GLN30H, GLU73I, GLU75I, GLU90I, GLU99H, GLY38I, GLY46H, GLY57I, GLY74I, GLY92I, HIS32H, HIS43H, HIS45H, ILE23H, ILE71I, LEU100H, LEU36I, LEU37I, LYS50H, LYS81H, PRO87I, SER101H, SER48H, SER68I, SER82H, SER84H, SER89I, THR44H, THR70I, TRP42H, TYR47H, VAL61I, VAL83H
• H-J: ALA13J, ALA14J, ARG26H, ASN25H, ASN7J, GLN10J, GLN30H, GLY28H, HIS27H, ILE23H, ILE24H, LEU100H, LYS16J, LYS9J, PHE29H, SER101H, THR5J
• I-J: ALA54I, ALA54J, ALA60I, ALA60J, ALA77I, ALA77J, ARG26I, ARG26J, ARG72I, ARG72J, ASN25I, ASN25J, ASN3I, ASN7I, ASN7J, ASP49I, ASP49J, GLN10I, GLN10J, GLN30I, GLN30J, GLU4I, GLU4J, GLU73I, GLU73J, GLU75I, GLU75J, GLU99I, GLU99J, GLY28I, GLY28J, GLY74I, GLY74J, HIS11I, HIS11J, HIS27I, HIS27J, ILE24I, ILE6I, ILE6J, ILE71I, ILE71J, ILE98I, ILE98J, LEU100I, LEU100J, LEU52I, LEU52J, LEU8I, LEU8J, LYS50I, LYS50J, LYS81I, LYS81J, LYS9I, LYS9J, PHE29I, PHE29J, PHE31I, PHE31J, PHE53I, PHE53J, PHE63I, PHE63J, PRO80I, PRO80J, SER101I, SER101J, SER48I, SER68I, SER68J, THR5I, THR5J, THR70I, THR70J, VAL51I, VAL51J, VAL55I, VAL55J, VAL61I, VAL61J, VAL78I, VAL78J, VAL79I, VAL79J, VAL83I, VAL96I, VAL96J