2GE8

structure of the c-terminal dimerization domain of infectious bronchitis virus nucleocapsid protein

• Total interactions analyzed: 28
• Total true interactions: 17
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 180
  • Norm. En. per Res.: -7.7766
• 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	-340.3283	-23.3227	-985.816	-1349.467	180	44	35	37137	2	48	45
A-F	-12.9094	-48.1343	-34.306	-95.3498	20	3	0	1518	4	11	4
A-G	-21.4151	32.49	-56.9133	-45.8384	35	4	1	2578	0	20	35
A-D	0.0	0.0	-6.0623	-6.0623	14	0	0	247	0	3	3
A-I	0.0	0.0	-6.2207	-6.2207	16	0	0	266	0	4	4
A-J	-27.1054	-40.5357	-121.267	-188.9082	62	10	0	4470	8	47	38
B-F	0.0	0.0	-31.8083	-31.8083	29	1	0	1229	0	4	0
B-G	0.0	-13.8842	-18.5501	-32.4343	20	0	0	965	0	13	5
B-C	0.0	0.0	-6.4758	-6.4758	12	0	0	246	0	4	3
B-D	-61.8583	-78.7106	-104.663	-245.2319	59	6	0	4277	9	42	41
B-J	0.0	0.0	-5.8144	-5.8144	16	0	0	256	0	3	3
F-G	-349.9657	-82.119	-939.357	-1371.4417	180	43	35	36077	5	40	41
F-C	0.0	0.0	-17.5143	-17.5143	18	0	0	969	0	4	2
F-D	0.0	0.0	-0.0006	-0.0006	2	0	0	2	0	0	0
G-C	0.0	0.0	-0.8719	-0.8719	4	0	0	65	0	1	0
C-D	-320.3488	-98.4601	-980.985	-1399.7939	180	45	34	36948	8	46	43
I-J	-339.2563	-40.5387	-923.695	-1303.49	178	53	35	35294	3	45	43

Interface residues

• A-B: ALA52A, ALA52B, ALA62A, ALA62B, ARG12A, ARG12B, ARG27A, ARG27B, ARG49A, ARG49B, ARG68A, ARG68B, ARG7A, ARG7B, ARG8A, ARG8B, ARG90A, ARG90B, ASN34A, ASN34B, ASN41A, ASN41B, ASN55A, ASN55B, ASN97A, ASN97B, ASP103A, ASP103B, ASP107A, ASP107B, ASP21A, ASP21B, ASP37A, ASP37B, ASP47A, ASP47B, ASP76A, ASP76B, ASP91A, ASP91B, ASP92A, ASP92B, ASP96A, ASP96B, CYS102A, CYS102B, CYS105A, CYS105B, CYS10A, CYS10B, CYS63A, CYS63B, GLN74A, GLN74B, GLN94A, GLN94B, GLU32A, GLU32B, GLU83A, GLU83B, GLY25A, GLY25B, GLY30A, GLY30B, GLY33A, GLY33B, GLY36A, GLY36B, GLY44A, GLY44B, GLY66A, GLY66B, GLY77A, GLY77B, HIS61A, HIS61B, HIS79A, HIS79B, ILE101A, ILE101B, ILE14A, ILE14B, ILE45A, ILE45B, LEU54A, LEU54B, LEU56A, LEU56B, LEU64A, LEU64B, LEU73A, LEU73B, LEU78A, LEU78B, LEU80A, LEU80B, LYS100A, LYS100B, LYS11A, LYS11B, LYS29A, LYS29B, LYS31A, LYS31B, LYS72A, LYS72B, LYS81A, LYS81B, MET40A, MET40B, MET53A, MET53B, PHE24A, PHE24B, PHE35A, PHE35B, PHE65A, PHE65B, PHE82A, PHE82B, PHE84A, PHE84B, PHE95A, PHE95B, PRO15A, PRO15B, PRO16A, PRO16B, PRO26A, PRO26B, PRO58A, PRO58B, PRO71A, PRO71B, PRO75A, PRO75B, PRO89A, PRO89B, PRO93A, PRO93B, SER59A, SER59B, SER60A, SER60B, SER67A, SER67B, THR13A, THR13B, THR28A, THR28B, THR51A, THR51B, THR70A, THR70B, THR85A, THR85B, THR86A, THR86B, TYR98A, TYR98B, TYR9A, TYR9B, VAL106A, VAL106B, VAL20A, VAL20B, VAL23A, VAL23B, VAL50A, VAL50B, VAL57A, VAL57B, VAL69A, VAL69B, VAL87A, VAL87B, VAL88A, VAL88B, VAL99A, VAL99B
• A-F: ALA5A, ARG7A, ARG8A, ARG90F, ASN55F, ASP91F, ASP92F, GLN94F, HIS6A, LEU56F, LYS11A, MET4A, PHE84F, PRO89F, PRO93F, THR13A, THR85F, THR86F, VAL87F, VAL88F
• A-G: ALA5A, ALA5G, ARG12A, ARG12G, ARG7A, ARG7G, ARG8A, ARG8G, ASP2G, ASP76A, ASP76G, CYS10A, CYS10G, GLU32A, GLU32G, GLU3G, GLY25A, GLY77A, HIS6A, HIS6G, HIS79A, HIS79G, LEU78A, LEU78G, LYS11A, LYS11G, MET4A, MET4G, PHE24A, PHE24G, PRO26A, TYR9A, TYR9G, VAL23A, VAL23G
• A-D: ASN97D, ASP91D, ASP96D, GLN74A, GLY77A, LEU73A, LEU78A, LYS100D, LYS114D, PHE95D, PRO71A, PRO75A, PRO93D, VAL99D
• A-I: ARG90A, ASN97A, ASP115A, ASP91A, ASP92A, ASP96A, GLN74I, GLY77I, LEU73I, LEU78I, LYS100A, PHE95A, PRO71I, PRO75I, PRO93A, VAL99A
• A-J: ARG112A, ARG112J, ARG49A, ARG49J, ARG90A, ARG90J, ASN34A, ASN34J, ASN97A, ASN97J, ASP103A, ASP103J, ASP107A, ASP107J, ASP115A, ASP115J, ASP37A, ASP37J, ASP38A, ASP91A, ASP91J, ASP92A, ASP92J, ASP96A, ASP96J, CYS102A, CYS102J, CYS105A, CYS105J, GLN104A, GLN104J, GLN94A, GLN94J, GLY108A, GLY108J, GLY110A, GLY110J, GLY36J, ILE101A, ILE101J, LYS100A, LYS100J, LYS114A, LYS114J, LYS29A, LYS29J, PHE95A, PHE95J, PRO113A, PRO113J, PRO89A, PRO89J, PRO93A, PRO93J, THR111A, THR111J, VAL106A, VAL106J, VAL109A, VAL109J, VAL99A, VAL99J
• B-F: ALA52B, ALA52F, ASN55B, ASN55F, ASN97B, ASP91B, ASP92B, ASP92F, ASP96B, GLN94B, GLN94F, GLY48F, LEU54B, LEU54F, LEU56B, LEU56F, MET53F, PHE95B, PRO93B, PRO93F, SER59F, SER60F, THR51B, THR51F, TYR98B, TYR98F, VAL50F, VAL57F, VAL88B
• B-G: ARG12G, ARG7G, ARG8G, ARG90B, ASP2G, ASP91B, ASP92B, GLN94B, GLU3G, HIS61G, LYS11G, MET4G, PRO89B, PRO93B, SER60G, THR13G, THR85B, THR86B, VAL87B, VAL88B
• B-C: ASN97B, ASP115B, ASP96B, GLN74C, GLY77C, LEU73C, LYS100B, PHE95B, PRO71C, PRO75C, PRO93B, VAL99B
• B-D: ARG112B, ARG112D, ARG90B, ARG90D, ASN34B, ASN97B, ASN97D, ASP103B, ASP103D, ASP107B, ASP107D, ASP115B, ASP115D, ASP37B, ASP37D, ASP38D, ASP91B, ASP91D, ASP92B, ASP92D, ASP96B, ASP96D, CYS102B, CYS102D, CYS105B, CYS105D, GLN104B, GLN104D, GLN94D, GLY108B, GLY108D, GLY110B, GLY110D, GLY30B, GLY36B, ILE101B, ILE101D, LYS100B, LYS100D, LYS114B, LYS114D, LYS29B, LYS29D, PHE35B, PHE95B, PHE95D, PRO113B, PRO113D, PRO89D, PRO93B, PRO93D, THR111B, THR111D, VAL106B, VAL106D, VAL109B, VAL109D, VAL99B, VAL99D
• B-J: ARG90J, ASN97J, ASP115J, ASP91J, ASP92J, ASP96J, GLN74B, GLY77B, LEU73B, LEU78B, LYS100J, PHE95J, PRO71B, PRO75B, PRO93J, VAL99J
• F-G: ALA52F, ALA52G, ALA62F, ALA62G, ARG12F, ARG12G, ARG27F, ARG27G, ARG49F, ARG49G, ARG68F, ARG68G, ARG7G, ARG8F, ARG8G, ARG90F, ARG90G, ASN34F, ASN34G, ASN41F, ASN41G, ASN55F, ASN55G, ASN97F, ASN97G, ASP103F, ASP103G, ASP107F, ASP107G, ASP21F, ASP21G, ASP37F, ASP37G, ASP47F, ASP47G, ASP76F, ASP76G, ASP91F, ASP91G, ASP92F, ASP92G, ASP96F, ASP96G, CYS102F, CYS102G, CYS105F, CYS105G, CYS10F, CYS10G, CYS63F, CYS63G, GLN74F, GLN74G, GLN94F, GLN94G, GLU32F, GLU32G, GLU83F, GLU83G, GLY25F, GLY25G, GLY30F, GLY30G, GLY33F, GLY33G, GLY36F, GLY36G, GLY44F, GLY44G, GLY66F, GLY66G, GLY77F, GLY77G, HIS61F, HIS61G, HIS79F, HIS79G, ILE101F, ILE101G, ILE14F, ILE14G, ILE45F, ILE45G, LEU54F, LEU54G, LEU56F, LEU56G, LEU64F, LEU64G, LEU73F, LEU73G, LEU78F, LEU78G, LEU80F, LEU80G, LYS100F, LYS100G, LYS11F, LYS11G, LYS29F, LYS29G, LYS31F, LYS31G, LYS72F, LYS72G, LYS81F, LYS81G, MET40F, MET40G, MET4G, MET53F, MET53G, PHE24F, PHE24G, PHE35F, PHE35G, PHE65F, PHE65G, PHE82F, PHE82G, PHE84F, PHE84G, PHE95F, PHE95G, PRO15F, PRO15G, PRO16F, PRO16G, PRO26F, PRO26G, PRO58F, PRO58G, PRO71F, PRO71G, PRO75F, PRO75G, PRO89F, PRO89G, PRO93F, PRO93G, SER59F, SER59G, SER60F, SER60G, SER67F, SER67G, THR13F, THR13G, THR28F, THR28G, THR51F, THR51G, THR70F, THR70G, THR85F, THR85G, THR86F, THR86G, TYR98F, TYR98G, TYR9F, TYR9G, VAL106F, VAL106G, VAL20F, VAL20G, VAL23F, VAL23G, VAL50F, VAL50G, VAL57F, VAL57G, VAL69F, VAL69G, VAL87F, VAL87G, VAL88F, VAL88G, VAL99F, VAL99G
• F-C: ASP76C, GLN74C, GLY17F, GLY77C, HIS79C, ILE14F, ILE45F, LEU54F, LEU73C, LYS31C, LYS46F, LYS72C, PRO15F, PRO16F, PRO75C, THR13F, THR51F, TYR18F
• F-D: PRO16F, VAL87D
• G-C: GLN74C, HIS61G, PRO75C, SER60G
• C-D: ALA52C, ALA52D, ALA62C, ALA62D, ARG12C, ARG12D, ARG27C, ARG27D, ARG49C, ARG49D, ARG68C, ARG68D, ARG7C, ARG7D, ARG8C, ARG8D, ARG90C, ARG90D, ASN34C, ASN34D, ASN41C, ASN41D, ASN55C, ASN55D, ASN97C, ASN97D, ASP103C, ASP103D, ASP107C, ASP107D, ASP21C, ASP21D, ASP37C, ASP37D, ASP47C, ASP47D, ASP76C, ASP76D, ASP91C, ASP91D, ASP92C, ASP92D, ASP96C, ASP96D, CYS102C, CYS102D, CYS105C, CYS105D, CYS10C, CYS10D, CYS63C, CYS63D, GLN74C, GLN74D, GLN94C, GLN94D, GLU32C, GLU32D, GLU83C, GLU83D, GLY25C, GLY25D, GLY30C, GLY30D, GLY33C, GLY33D, GLY36C, GLY36D, GLY44C, GLY44D, GLY66C, GLY66D, GLY77C, GLY77D, HIS61C, HIS61D, HIS79C, HIS79D, ILE101C, ILE101D, ILE14C, ILE14D, ILE45C, ILE45D, LEU54C, LEU54D, LEU56C, LEU56D, LEU64C, LEU64D, LEU73C, LEU73D, LEU78C, LEU78D, LEU80C, LEU80D, LYS100C, LYS100D, LYS11C, LYS11D, LYS29C, LYS29D, LYS31C, LYS31D, LYS72C, LYS72D, LYS81C, LYS81D, MET40C, MET40D, MET53C, MET53D, PHE24C, PHE24D, PHE35C, PHE35D, PHE65C, PHE65D, PHE82C, PHE82D, PHE84C, PHE84D, PHE95C, PHE95D, PRO15C, PRO15D, PRO16C, PRO16D, PRO26C, PRO26D, PRO58C, PRO58D, PRO71C, PRO71D, PRO75C, PRO75D, PRO89C, PRO89D, PRO93C, PRO93D, SER59C, SER59D, SER60C, SER60D, SER67C, SER67D, THR13C, THR13D, THR28C, THR28D, THR51C, THR51D, THR70C, THR70D, THR85C, THR85D, THR86C, THR86D, TYR98C, TYR98D, TYR9C, TYR9D, VAL106C, VAL106D, VAL20C, VAL20D, VAL23C, VAL23D, VAL50C, VAL50D, VAL57C, VAL57D, VAL69C, VAL69D, VAL87C, VAL87D, VAL88C, VAL88D, VAL99C, VAL99D
• I-J: ALA52I, ALA52J, ALA62I, ALA62J, ARG12I, ARG12J, ARG27I, ARG27J, ARG49I, ARG49J, ARG68I, ARG68J, ARG7I, ARG8I, ARG8J, ARG90I, ARG90J, ASN34I, ASN34J, ASN41I, ASN41J, ASN55I, ASN55J, ASN97I, ASN97J, ASP103I, ASP103J, ASP107I, ASP107J, ASP21I, ASP21J, ASP37I, ASP37J, ASP47I, ASP47J, ASP76I, ASP76J, ASP91I, ASP91J, ASP92I, ASP92J, ASP96I, ASP96J, CYS102I, CYS102J, CYS105I, CYS105J, CYS10I, CYS10J, CYS63I, CYS63J, GLN74I, GLN74J, GLN94I, GLN94J, GLU32I, GLU32J, GLU83I, GLU83J, GLY25I, GLY25J, GLY30I, GLY30J, GLY33I, GLY33J, GLY36I, GLY36J, GLY44I, GLY44J, GLY66I, GLY66J, GLY77I, GLY77J, HIS61I, HIS61J, HIS79I, HIS79J, ILE101I, ILE101J, ILE14I, ILE14J, ILE45I, ILE45J, LEU54I, LEU54J, LEU56I, LEU56J, LEU64I, LEU64J, LEU73I, LEU73J, LEU78I, LEU78J, LEU80I, LEU80J, LYS100I, LYS100J, LYS11I, LYS11J, LYS29I, LYS29J, LYS31I, LYS31J, LYS72I, LYS72J, LYS81I, LYS81J, MET40I, MET40J, MET53I, MET53J, PHE24I, PHE24J, PHE35I, PHE35J, PHE65I, PHE65J, PHE82I, PHE82J, PHE84I, PHE84J, PHE95I, PHE95J, PRO15I, PRO15J, PRO16I, PRO16J, PRO26I, PRO26J, PRO58I, PRO58J, PRO71I, PRO71J, PRO75I, PRO75J, PRO89I, PRO89J, PRO93J, SER59I, SER59J, SER60I, SER60J, SER67I, SER67J, THR13I, THR13J, THR28I, THR28J, THR51I, THR51J, THR70I, THR70J, THR85I, THR85J, THR86I, THR86J, TYR98I, TYR98J, TYR9I, TYR9J, VAL106I, VAL106J, VAL20I, VAL20J, VAL23I, VAL23J, VAL50I, VAL50J, VAL57I, VAL57J, VAL69I, VAL69J, VAL87I, VAL87J, VAL88I, VAL88J, VAL99I, VAL99J