3SN9

fic protein from neisseria meningitidis mutant s182a/e186a in complex with amppnp

• Total interactions analyzed: 120
• Total true interactions: 36
• Strongest Interaction:
  • Chains: D-L
  • Int. Res.: 38
  • Norm. En. per Res.: -4.3932
• Hub Node: C(7)

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	-15.7854	-3.4941	-63.0393	-82.3188	53	3	0	2769	0	22	22
A-H	-7.3181	-17.3461	-59.958	-84.6222	39	9	0	2813	1	20	22
A-M	-40.1391	-24.19	-185.829	-250.1582	80	5	3	7997	12	15	16
A-P	0.0	-4.3154	-1.4423	-5.7577	8	0	0	150	0	7	8
B-D	-34.5167	-26.243	-193.9	-254.6597	80	13	3	8318	12	15	19
B-F	0.0	0.0	-0.1486	-0.1486	3	0	0	23	0	3	3
B-G	-34.8419	-32.7439	-84.467	-152.0528	40	4	3	3506	4	8	9
B-H	0.0	0.0	-1.9962	-1.9962	6	0	0	102	0	1	1
B-L	-6.373	-1.9585	-18.6919	-27.0234	26	2	0	1118	0	8	9
C-E	-34.3026	-23.0903	-191.342	-248.7349	80	13	3	8308	11	15	19
C-G	0.0	1.1519	-0.4001	0.7518	16	0	0	95	0	5	5
C-H	0.0	0.0	-0.0144	-0.0144	3	0	0	5	0	2	1
C-I	-24.2455	-41.935	-86.1644	-152.3449	51	9	0	3296	4	24	20
C-J	-8.6859	-20.1335	-53.5834	-82.4028	29	9	0	2434	0	21	19
C-M	0.0	0.0	-0.0007	-0.0007	3	0	0	2	0	0	0
C-N	-9.6986	-2.8312	-18.9238	-31.4536	26	6	0	1244	0	8	12
D-F	-33.347	-115.3551	-116.116	-264.8182	71	18	1	5302	7	29	28
D-G	-9.3781	-2.7173	-17.2135	-29.3089	26	3	0	1106	0	10	9
D-H	0.0	0.0	-1.0898	-1.0898	6	0	0	72	1	2	3
D-L	-40.789	-35.982	-90.1693	-166.9403	38	6	3	3543	4	8	10
E-M	-20.4657	-11.8849	-34.871	-67.2216	42	16	0	2042	2	16	20
E-N	-38.9453	-33.229	-96.5698	-168.7441	40	7	3	3738	4	8	10
F-H	-35.3036	-26.0219	-178.881	-240.2065	80	6	3	7965	10	14	18
F-K	-37.5478	-45.2394	-91.7896	-174.5768	40	6	3	3621	4	8	9
F-P	-5.175	-2.7837	-19.5782	-27.537	26	3	0	1088	0	8	10
G-L	-38.7132	-22.6625	-195.182	-256.5576	80	9	3	8232	11	15	19
H-I	0.0	-29.839	-11.4754	-41.3144	23	6	0	822	0	11	11
H-K	-9.1242	-1.943	-17.8164	-28.8836	26	2	0	1058	0	8	9
H-M	-3.218	20.4144	-36.4234	-19.227	20	7	0	1348	2	12	15
H-O	0.0	-8.7397	-4.6926	-13.4323	13	0	0	326	1	4	9
H-P	-36.0364	-32.7956	-92.7243	-161.5563	40	5	3	3642	4	8	10
I-J	-5.8977	-1.3377	-5.6356	-12.8709	27	8	0	1389	2	17	22
I-M	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	1
I-O	-43.6194	-25.0385	-186.224	-254.8818	80	12	3	8251	12	14	19
K-P	-36.602	-24.9911	-186.877	-248.47	80	7	3	8120	12	14	16
M-O	0.0	3.1686	-16.5423	-13.3737	42	3	0	1182	0	15	14

Interface residues

• A-B: ALA22A, ALA40A, ALA40B, ALA57A, ARG24A, ARG24B, ARG33A, ARG33B, ARG47A, ARG47B, ASN21A, ASP170B, ASP30A, ASP30B, ASP32B, ASP55A, GLN17A, GLN44A, GLN44B, GLN59A, GLU27B, GLU35B, GLU62A, GLY29B, GLY51A, GLY52A, GLY58A, HIS20A, HIS46A, ILE31B, ILE34A, ILE34B, ILE45A, LEU123B, LEU25A, LEU25B, LEU49A, LEU53A, LYS126B, LYS127B, LYS130B, LYS79A, PHE26B, PHE50A, PHE56A, SER18A, SER28A, SER28B, TYR48A, TYR48B, TYR54A, VAL169B, VAL36B
• A-H: ALA81A, ARG158H, ARG91A, ARG91H, ASN128H, ASP163H, ASP167H, ASP168H, GLN87A, GLU35A, GLU80A, GLU86A, GLU90A, GLU95A, ILE85A, ILE96H, LEU125H, LEU129H, LEU155H, LEU160H, LEU165H, LYS126H, LYS127H, LYS130H, LYS131H, LYS162H, LYS79A, LYS84A, LYS99A, MET88A, PHE159H, PHE93H, PRO89A, THR166H, THR38A, THR92H, VAL132H, VAL169H, VAL83A
• A-M: ALA106A, ALA106M, ALA73A, ALA73M, ALA75A, ALA75M, ALA81A, ALA81M, ALA98A, ALA98M, ARG149A, ARG149M, ARG71A, ARG71M, ASN153A, ASN153M, ASN64A, ASN64M, ASN74A, ASN74M, ASP154A, ASP154M, GLN87A, GLN87M, GLU102A, GLU102M, GLU148A, GLU148M, GLU80A, GLU80M, GLU86A, GLU86M, GLY68A, GLY68M, GLY69A, GLY69M, ILE105A, ILE105M, ILE65A, ILE65M, ILE85A, ILE85M, LEU78A, LEU78M, LEU82A, LEU82M, LYS67A, LYS67M, LYS79A, LYS79M, LYS84A, LYS84M, LYS99A, LYS99M, MET103A, MET103M, MET76A, MET76M, MET88A, MET88M, PHE70A, PHE70M, PHE72A, PHE72M, PRO151A, PRO151M, PRO89A, PRO89M, SER150A, SER150M, SER66A, SER66M, TYR77A, TYR77M, VAL101A, VAL101M, VAL152A, VAL152M, VAL83A, VAL83M
• A-P: ARG91A, ASN164P, ASP163P, LEU155P, LEU165P, LYS130A, LYS162P, PHE159P
• B-D: ALA106B, ALA106D, ALA73B, ALA73D, ALA75B, ALA75D, ALA81B, ALA81D, ALA98B, ALA98D, ARG149B, ARG149D, ARG71B, ARG71D, ASN153B, ASN153D, ASN64B, ASN64D, ASN74B, ASN74D, ASP154B, ASP154D, GLN87B, GLN87D, GLU102B, GLU102D, GLU148B, GLU148D, GLU80B, GLU80D, GLU86B, GLU86D, GLY68B, GLY68D, GLY69B, GLY69D, ILE105B, ILE105D, ILE65B, ILE65D, ILE85B, ILE85D, LEU78B, LEU78D, LEU82B, LEU82D, LYS67B, LYS67D, LYS79B, LYS79D, LYS84B, LYS84D, LYS99B, LYS99D, MET103B, MET103D, MET76B, MET76D, MET88B, MET88D, PHE70B, PHE70D, PHE72B, PHE72D, PRO151B, PRO151D, PRO89B, PRO89D, SER150B, SER150D, SER66B, SER66D, TYR77B, TYR77D, VAL101B, VAL101D, VAL152B, VAL152D, VAL83B, VAL83D
• B-F: GLU62F, LYS79F, LYS84B
• B-G: ALA146B, ALA146G, ARG149B, ARG149G, ARG158B, ARG158G, ASN153B, ASN153G, ASP154B, ASP154G, GLN145B, GLN145G, GLU148B, GLU148G, GLU156B, GLU156G, LEU142B, LEU142G, LEU144B, LEU144G, LEU155B, LEU155G, LEU157B, LEU157G, LEU160B, LEU160G, MET147B, MET147G, PHE159B, PHE159G, PRO151B, PRO151G, SER150B, SER150G, THR141B, THR141G, TYR143B, TYR143G, VAL152B, VAL152G
• B-H: ARG91B, ARG91H, GLU90B, GLU90H, PRO89B, PRO89H
• B-L: ARG149B, ARG149L, ARG71B, ARG71L, GLN145B, GLN145L, GLU148B, GLU148L, GLY68B, GLY68L, GLY69B, GLY69L, ILE65B, ILE65L, LEU142B, LEU142L, LEU144B, LEU144L, LYS67B, LYS67L, PHE70B, PHE70L, SER66B, SER66L, THR141B, THR141L
• C-E: ALA106C, ALA106E, ALA73C, ALA73E, ALA75C, ALA75E, ALA81C, ALA81E, ALA98C, ALA98E, ARG149C, ARG149E, ARG71C, ARG71E, ASN153C, ASN153E, ASN64C, ASN64E, ASN74C, ASN74E, ASP154C, ASP154E, GLN87C, GLN87E, GLU102C, GLU102E, GLU148C, GLU148E, GLU80C, GLU80E, GLU86C, GLU86E, GLY68C, GLY68E, GLY69C, GLY69E, ILE105C, ILE105E, ILE65C, ILE65E, ILE85C, ILE85E, LEU78C, LEU78E, LEU82C, LEU82E, LYS67C, LYS67E, LYS79C, LYS79E, LYS84C, LYS84E, LYS99C, LYS99E, MET103C, MET103E, MET76C, MET76E, MET88C, MET88E, PHE70C, PHE70E, PHE72C, PHE72E, PRO151C, PRO151E, PRO89C, PRO89E, SER150C, SER150E, SER66C, SER66E, TYR77C, TYR77E, VAL101C, VAL101E, VAL152C, VAL152E, VAL83C, VAL83E
• C-G: ASN134C, ASN137C, ASN137G, ASN164C, ASN164G, ASP163C, ASP163G, ASP167G, ASP168C, ASP168G, LEU165C, LEU165G, LYS131G, LYS162G, THR166C, THR166G
• C-H: ARG33H, GLU35C, LYS127C
• C-I: ALA22C, ALA40C, ALA40I, ALA57C, ARG24C, ARG24I, ARG33C, ARG33I, ARG47C, ARG47I, ASN21C, ASP30C, ASP30I, ASP32I, ASP55C, GLN17C, GLN43C, GLN44C, GLN44I, GLN59C, GLU35I, GLY29I, GLY41I, GLY51C, GLY51I, GLY52C, GLY58C, HIS20C, HIS46C, ILE31I, ILE34C, ILE34I, ILE45C, LEU123I, LEU25C, LEU25I, LEU49C, LEU53C, LYS126I, LYS127I, LYS130I, PHE50C, PHE56C, SER18C, SER28C, SER28I, THR38I, TYR48C, TYR48I, TYR54C, VAL36I
• C-J: ALA22C, ARG23C, ARG23J, ARG24C, ARG24J, ARG33C, ARG33J, ASN21C, ASP170C, ASP170J, ASP30C, ASP30J, ASP32J, GLU27C, GLU27J, GLY29C, GLY29J, HIS20C, HIS20J, ILE31C, ILE31J, LEU25C, LEU25J, PHE26C, PHE26J, SER28C, SER28J, TYR48C, TYR48J
• C-M: ARG91M, LYS127M, LYS84C
• C-N: ARG149C, ARG149N, ARG71C, ARG71N, GLN145C, GLN145N, GLU148C, GLU148N, GLY68C, GLY68N, GLY69C, GLY69N, ILE65C, ILE65N, LEU142C, LEU142N, LEU144C, LEU144N, LYS67C, LYS67N, PHE70C, PHE70N, SER66C, SER66N, THR141C, THR141N
• D-F: ALA40D, ALA40F, ALA57D, ALA57F, ARG33D, ARG33F, ARG47D, ARG47F, ASP30D, ASP30F, ASP32D, ASP32F, ASP55D, ASP55F, GLN43D, GLN43F, GLN44D, GLN44F, GLN59D, GLN59F, GLN87D, GLN87F, GLU35D, GLU35F, GLU62D, GLU62F, GLU80D, GLU80F, GLU86D, GLU86F, GLY29D, GLY37D, GLY37F, GLY41D, GLY41F, GLY58D, GLY58F, HIS46F, ILE31D, ILE31F, ILE34D, ILE34F, ILE45D, ILE45F, ILE60D, ILE60F, LEU123F, LEU25D, LEU42D, LEU42F, LEU82D, LYS127D, LYS127F, LYS79D, LYS79F, LYS84D, LYS84F, MET76F, PHE109F, PHE56D, PHE56F, THR38D, THR38F, THR39D, THR39F, TYR48D, TYR48F, VAL36D, VAL36F, VAL83D, VAL83F
• D-G: ARG149D, ARG149G, ARG71D, ARG71G, GLN145D, GLN145G, GLU148D, GLU148G, GLY68D, GLY68G, GLY69D, GLY69G, ILE65D, ILE65G, LEU142D, LEU142G, LEU144D, LEU144G, LYS67D, LYS67G, PHE70D, PHE70G, SER66D, SER66G, THR141D, THR141G
• D-H: GLN59D, GLN87H, GLU62D, GLU80H, LYS79D, LYS84H
• D-L: ALA146D, ALA146L, ARG149D, ARG149L, ARG158D, ARG158L, ASN153D, ASN153L, ASP154D, ASP154L, GLN145D, GLN145L, GLU148D, GLU148L, GLU156D, GLU156L, LEU142D, LEU142L, LEU144D, LEU144L, LEU155D, LEU155L, LEU157D, LEU157L, LEU160D, LEU160L, MET147D, MET147L, PHE159D, PHE159L, PRO151D, PRO151L, SER150D, SER150L, TYR143D, TYR143L, VAL152D, VAL152L
• E-M: ALA40E, ALA57E, ALA75E, ARG47E, ARG61E, ARG91M, ASN128M, ASP167M, ASP55E, ASP63E, GLN43E, GLN44E, GLN59E, GLU35E, GLU62E, GLU80E, GLU86E, GLU90M, GLU94M, GLU95M, GLY41E, GLY58E, ILE60E, LEU110E, LEU129M, LEU78E, LEU82E, LYS127M, LYS130M, LYS131M, LYS162M, LYS79E, MET76E, PHE109E, PHE56E, PHE93M, PRO108E, PRO89M, THR38E, THR39E, THR92M, VAL83E
• E-N: ALA146E, ALA146N, ARG149E, ARG149N, ARG158E, ARG158N, ASN153E, ASN153N, ASP154E, ASP154N, GLN145E, GLN145N, GLU148E, GLU148N, GLU156E, GLU156N, LEU142E, LEU142N, LEU144E, LEU144N, LEU155E, LEU155N, LEU157E, LEU157N, LEU160E, LEU160N, MET147E, MET147N, PHE159E, PHE159N, PRO151E, PRO151N, SER150E, SER150N, THR141E, THR141N, TYR143E, TYR143N, VAL152E, VAL152N
• F-H: ALA106F, ALA106H, ALA73F, ALA73H, ALA75F, ALA75H, ALA81F, ALA81H, ALA98F, ALA98H, ARG149F, ARG149H, ARG71F, ARG71H, ASN153F, ASN153H, ASN64F, ASN64H, ASN74F, ASN74H, ASP154F, ASP154H, GLN87F, GLN87H, GLU102F, GLU102H, GLU148F, GLU148H, GLU80F, GLU80H, GLU86F, GLU86H, GLY68F, GLY68H, GLY69F, GLY69H, ILE105F, ILE105H, ILE65F, ILE65H, ILE85F, ILE85H, LEU78F, LEU78H, LEU82F, LEU82H, LYS67F, LYS67H, LYS79F, LYS79H, LYS84F, LYS84H, LYS99F, LYS99H, MET103F, MET103H, MET76F, MET76H, MET88F, MET88H, PHE70F, PHE70H, PHE72F, PHE72H, PRO151F, PRO151H, PRO89F, PRO89H, SER150F, SER150H, SER66F, SER66H, TYR77F, TYR77H, VAL101F, VAL101H, VAL152F, VAL152H, VAL83F, VAL83H
• F-K: ALA146F, ALA146K, ARG149F, ARG149K, ARG158F, ARG158K, ASN153F, ASN153K, ASP154F, ASP154K, GLN145F, GLN145K, GLU148F, GLU148K, GLU156F, GLU156K, LEU142F, LEU142K, LEU144F, LEU144K, LEU155F, LEU155K, LEU157F, LEU157K, LEU160F, LEU160K, MET147F, MET147K, PHE159F, PHE159K, PRO151F, PRO151K, SER150F, SER150K, THR141F, THR141K, TYR143F, TYR143K, VAL152F, VAL152K
• F-P: ARG149F, ARG149P, ARG71F, ARG71P, GLN145F, GLN145P, GLU148F, GLU148P, GLY68F, GLY68P, GLY69F, GLY69P, ILE65F, ILE65P, LEU142F, LEU142P, LEU144F, LEU144P, LYS67F, LYS67P, PHE70F, PHE70P, SER66F, SER66P, THR141F, THR141P
• G-L: ALA106G, ALA106L, ALA73G, ALA73L, ALA75G, ALA75L, ALA81G, ALA81L, ALA98G, ALA98L, ARG149G, ARG149L, ARG71G, ARG71L, ASN153G, ASN153L, ASN64G, ASN64L, ASN74G, ASN74L, ASP154G, ASP154L, GLN87G, GLN87L, GLU102G, GLU102L, GLU148G, GLU148L, GLU80G, GLU80L, GLU86G, GLU86L, GLY68G, GLY68L, GLY69G, GLY69L, ILE105G, ILE105L, ILE65G, ILE65L, ILE85G, ILE85L, LEU78G, LEU78L, LEU82G, LEU82L, LYS67G, LYS67L, LYS79G, LYS79L, LYS84G, LYS84L, LYS99G, LYS99L, MET103G, MET103L, MET76G, MET76L, MET88G, MET88L, PHE70G, PHE70L, PHE72G, PHE72L, PRO151G, PRO151L, PRO89G, PRO89L, SER150G, SER150L, SER66G, SER66L, TYR77G, TYR77L, VAL101G, VAL101L, VAL152G, VAL152L, VAL83G, VAL83L
• H-I: ALA75I, ARG23H, ARG24H, ARG61I, ASN21H, ASN64I, ASN74I, ASP30H, ASP55I, ASP63I, GLN17H, GLU27H, GLU62I, GLU80I, GLY52H, HIS20H, ILE60I, LEU78I, LYS79I, MET76I, SER28H, TYR48H, TYR77I
• H-K: ARG149H, ARG149K, ARG71H, ARG71K, GLN145H, GLN145K, GLU148H, GLU148K, GLY68H, GLY68K, GLY69H, GLY69K, ILE65H, ILE65K, LEU142H, LEU142K, LEU144H, LEU144K, LYS67H, LYS67K, PHE70H, PHE70K, SER66H, SER66K, THR141H, THR141K
• H-M: ALA75M, ARG61M, ASN134H, ASN74M, ASP167H, ASP168H, ASP170H, GLN59M, GLU62M, GLU80M, ILE60M, LEU129H, LEU78M, LYS130H, LYS131H, LYS79M, MET76M, THR166H, TYR77M, VAL169H
• H-O: ARG23H, ARG24H, ARG91O, GLN136H, GLN87O, GLU16H, GLU27H, GLU95O, LEU19H, LYS84O, MET88O, PRO89O, SER28H
• H-P: ALA146H, ALA146P, ARG149H, ARG149P, ARG158H, ARG158P, ASN153H, ASN153P, ASP154H, ASP154P, GLN145H, GLN145P, GLU148H, GLU148P, GLU156H, GLU156P, LEU142H, LEU142P, LEU144H, LEU144P, LEU155H, LEU155P, LEU157H, LEU157P, LEU160H, LEU160P, MET147H, MET147P, PHE159H, PHE159P, PRO151H, PRO151P, SER150H, SER150P, THR141H, THR141P, TYR143H, TYR143P, VAL152H, VAL152P
• I-J: ARG23I, ARG24I, ARG33J, ASN21I, ASP170J, ASP30I, ASP30J, ASP32J, GLU27I, GLU27J, GLU35J, GLY29I, GLY29J, GLY51I, HIS20I, ILE31J, ILE34J, LEU25I, LEU25J, LYS126J, LYS127J, LYS130J, PHE26J, SER28I, SER28J, TYR48I, VAL36J
• I-M: ARG33M, LYS84I
• I-O: ALA106I, ALA106O, ALA73I, ALA73O, ALA75I, ALA75O, ALA81I, ALA81O, ALA98I, ALA98O, ARG149I, ARG149O, ARG71I, ARG71O, ASN153I, ASN153O, ASN64I, ASN64O, ASN74I, ASN74O, ASP154I, ASP154O, GLN87I, GLN87O, GLU102I, GLU102O, GLU148I, GLU148O, GLU80I, GLU80O, GLU86I, GLU86O, GLY68I, GLY68O, GLY69I, GLY69O, ILE105I, ILE105O, ILE65I, ILE65O, ILE85I, ILE85O, LEU78I, LEU78O, LEU82I, LEU82O, LYS67I, LYS67O, LYS79I, LYS79O, LYS84I, LYS84O, LYS99I, LYS99O, MET103I, MET103O, MET76I, MET76O, MET88I, MET88O, PHE70I, PHE70O, PHE72I, PHE72O, PRO151I, PRO151O, PRO89I, PRO89O, SER150I, SER150O, SER66I, SER66O, TYR77I, TYR77O, VAL101I, VAL101O, VAL152I, VAL152O, VAL83I, VAL83O
• K-P: ALA106K, ALA106P, ALA73K, ALA73P, ALA75K, ALA75P, ALA81K, ALA81P, ALA98K, ALA98P, ARG149K, ARG149P, ARG71K, ARG71P, ASN153K, ASN153P, ASN64K, ASN64P, ASN74K, ASN74P, ASP154K, ASP154P, GLN87K, GLN87P, GLU102K, GLU102P, GLU148K, GLU148P, GLU80K, GLU80P, GLU86K, GLU86P, GLY68K, GLY68P, GLY69K, GLY69P, ILE105K, ILE105P, ILE65K, ILE65P, ILE85K, ILE85P, LEU78K, LEU78P, LEU82K, LEU82P, LYS67K, LYS67P, LYS79K, LYS79P, LYS84K, LYS84P, LYS99K, LYS99P, MET103K, MET103P, MET76K, MET76P, MET88K, MET88P, PHE70K, PHE70P, PHE72K, PHE72P, PRO151K, PRO151P, PRO89K, PRO89P, SER150K, SER150P, SER66K, SER66P, TYR77K, TYR77P, VAL101K, VAL101P, VAL152K, VAL152P, VAL83K, VAL83P
• M-O: ALA40O, ALA57M, ALA57O, ARG24M, ARG33M, ARG33O, ARG47M, ARG47O, ASN21M, ASP30M, ASP30O, ASP55M, ASP55O, GLN17M, GLN43O, GLN44O, GLN59O, GLU27M, GLU35O, GLU62O, GLU86O, GLY41O, GLY51M, GLY52M, GLY58O, HIS20M, ILE14M, ILE34O, ILE60O, LEU53M, LYS127O, LYS79O, PHE50M, PHE56O, SER13M, SER28M, THR38O, TYR48M, TYR48O, TYR54M, VAL36O, VAL83O