2A3X

decameric crystal structure of human serum amyloid p-component bound to bis-1,2-{[(z)-2carboxy- 2-methyl-1,3-dioxane]- 5-yloxycarbonyl}- piperazine

• Total interactions analyzed: 45
• Total true interactions: 20
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 74
  • Norm. En. per Res.: -4.3721
• Hub Node: A(4)

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	-59.701	-40.0097	-192.953	-292.6638	78	9	3	8336	4	21	18
A-E	-48.6307	-53.0801	-200.638	-302.3488	77	5	3	8532	6	22	18
A-F	0.0	17.2678	-17.8324	-0.5646	14	0	0	552	0	8	9
A-G	0.0	-0.4167	-5.8716	-6.2884	13	1	0	314	0	27	19
B-C	-27.4574	-34.7295	-207.242	-269.4289	75	9	3	8629	3	22	19
B-F	0.0	14.9473	-20.2192	-5.2719	27	5	0	1197	0	30	28
B-J	0.0	13.6974	-3.8338	9.8636	9	0	0	283	0	5	7
C-D	-62.3851	-57.3592	-203.792	-323.5363	74	10	3	8696	6	22	18
C-I	0.0	0.0	-0.0838	-0.0838	2	0	0	27	0	4	2
C-J	0.0	-2.3483	-0.1445	-2.4928	8	0	0	69	0	20	11
D-E	-28.6185	-50.7717	-197.248	-276.6381	79	3	3	8384	6	21	17
D-H	0.0	0.0	-0.1929	-0.1929	3	0	0	53	0	2	2
D-I	0.0	0.0	-0.0133	-0.0133	6	0	0	15	0	11	7
E-G	0.0	5.4286	-0.378	5.0506	6	0	0	102	0	5	6
E-H	0.0	0.0	-0.234	-0.234	7	0	0	72	0	16	8
F-G	-55.7309	-50.7756	-174.744	-281.2504	74	9	3	8263	5	20	17
F-J	-45.0415	-38.2253	-216.426	-299.6928	79	8	3	8955	3	23	19
G-H	-48.4579	-41.96	-207.116	-297.5339	79	9	3	8703	5	22	18
H-I	-44.4314	-46.751	-198.573	-289.7553	75	7	3	8531	6	21	19
I-J	-44.0831	-55.5277	-201.391	-301.0017	74	9	3	8674	6	22	17

Interface residues

• A-B: ALA105B, ALA39A, ALA90A, ARG120B, ARG13A, ARG45A, ASP42A, GLN121B, GLU106B, GLU14A, GLU153A, GLU167B, GLU70B, GLU86A, GLU86B, GLU99B, GLY103B, GLY111B, GLY118B, GLY122B, GLY152A, GLY69B, HIS78B, ILE104B, ILE109B, ILE197A, ILE198A, ILE85B, LEU114B, LEU119B, LEU164B, LEU170B, LEU201A, LEU43A, LYS116B, LYS117B, LYS199A, LYS79B, LYS7A, LYS83B, LYS87A, PHE107B, PHE11A, PHE150A, PHE88A, PHE9A, PRO113B, PRO12A, PRO165B, PRO166B, PRO200A, PRO89A, PRO91A, SER100B, SER101B, SER102B, SER41A, SER44A, SER82B, THR112B, THR81B, TRP108B, TRP203A, TRP98B, TYR195A, TYR40A, TYR71B, VAL10A, VAL115B, VAL151A, VAL163B, VAL196A, VAL202A, VAL204A, VAL68A, VAL80B, VAL84B, VAL8A
• A-E: ALA105A, ALA39E, ALA90E, ARG120A, ARG13E, ARG45E, ASP42E, GLN121A, GLU106A, GLU14E, GLU153E, GLU167A, GLU70A, GLU86A, GLU86E, GLU99A, GLY103A, GLY118A, GLY122A, GLY152E, GLY194E, GLY69A, HIS78A, ILE104A, ILE109A, ILE154E, ILE169A, ILE197E, ILE198E, ILE85A, LEU114A, LEU119A, LEU201E, LEU43E, LYS116A, LYS117A, LYS199E, LYS79A, LYS7E, LYS83A, LYS87E, PHE107A, PHE11E, PHE150E, PHE88E, PHE9E, PRO113A, PRO12E, PRO165A, PRO166A, PRO200E, PRO89E, PRO91E, SER100A, SER101A, SER102A, SER41E, SER44E, SER82A, SER97A, THR112A, THR81A, TRP108A, TRP203E, TRP98A, TYR195E, TYR40E, VAL10E, VAL115A, VAL151E, VAL163A, VAL196E, VAL202E, VAL204E, VAL80A, VAL84A, VAL8E
• A-F: ARG13F, ARG146A, ARG146F, ASP145F, GLU14A, GLU14F, PHE144F, SER147A, SER147F, SER15A, SER15F, THR17F, VAL16A, VAL16F
• A-G: ARG120A, ARG120G, ARG77A, ARG77G, ASP138A, ASP138G, ASP58A, ASP58G, GLY76G, HIS78A, HIS78G, LYS143A, LYS143G
• B-C: ALA105C, ALA39B, ALA90B, ARG120C, ARG13B, ARG45B, ASP42B, GLN121C, GLU106C, GLU14B, GLU153B, GLU167C, GLU70C, GLU86B, GLU86C, GLU99C, GLY103C, GLY118C, GLY122C, GLY152B, GLY194B, GLY69C, ILE104C, ILE154B, ILE169C, ILE197B, ILE198B, ILE85C, LEU114C, LEU119C, LEU164C, LEU170C, LEU201B, LEU43B, LYS116C, LYS117C, LYS199B, LYS7B, LYS83C, LYS87B, PHE107C, PHE11B, PHE150B, PHE88B, PRO113C, PRO12B, PRO165C, PRO166C, PRO200B, PRO89B, PRO91B, SER100C, SER101C, SER102C, SER41B, SER44B, SER82C, SER97C, THR112C, THR81C, TRP108C, TRP203B, TRP98C, TYR195B, TYR40B, VAL10B, VAL115C, VAL151B, VAL163C, VAL196B, VAL202B, VAL204B, VAL80C, VAL84C, VAL8B
• B-F: ARG120B, ARG120F, ARG57B, ARG57F, ARG77B, ARG77F, ASP138B, ASP138F, ASP145F, ASP58B, ASP58F, GLY56B, GLY56F, GLY76B, GLY76F, HIS78B, HIS78F, ILE75B, ILE75F, LYS143B, LYS143F, LYS79B, SER139B, SER139F, TYR123B, TYR123F, TYR140F
• B-J: ARG146B, ARG146J, ASP145J, GLU14B, GLU14J, SER147J, SER15B, VAL16B, VAL16J
• C-D: ALA105D, ALA39C, ALA90C, ARG120D, ARG13C, ARG45C, ASP42C, GLN121D, GLU106D, GLU14C, GLU153C, GLU167D, GLU70D, GLU86C, GLU86D, GLU99D, GLY103D, GLY118D, GLY152C, GLY69D, ILE104D, ILE197C, ILE198C, ILE85D, LEU114D, LEU119D, LEU164D, LEU201C, LEU43C, LYS116D, LYS117D, LYS199C, LYS79D, LYS7C, LYS83D, LYS87C, PHE107D, PHE11C, PHE150C, PHE88C, PHE9C, PRO113D, PRO12C, PRO165D, PRO166D, PRO200C, PRO89C, PRO91C, SER100D, SER101D, SER102D, SER41C, SER44C, SER82D, SER97D, THR112D, THR81D, TRP108D, TRP203C, TRP98D, TYR195C, TYR40C, TYR71D, VAL10C, VAL115D, VAL151C, VAL163D, VAL196C, VAL202C, VAL204C, VAL68C, VAL80D, VAL84D, VAL8C
• C-I: ARG146C, ARG146I
• C-J: ARG120C, ARG120J, ARG77C, ASP138J, HIS78C, HIS78J, LYS143C, LYS143J
• D-E: ALA105E, ALA39D, ALA90D, ARG120E, ARG13D, ARG45D, ASP42D, GLN121E, GLU106E, GLU14D, GLU153D, GLU167E, GLU70E, GLU86D, GLU86E, GLU99E, GLY103E, GLY111E, GLY118E, GLY122E, GLY152D, GLY69E, ILE104E, ILE169E, ILE197D, ILE198D, ILE85E, LEU114E, LEU119E, LEU164E, LEU170E, LEU201D, LEU43D, LYS116E, LYS117E, LYS199D, LYS79E, LYS7D, LYS83E, LYS87D, PHE107E, PHE11D, PHE150D, PHE88D, PHE9D, PRO113E, PRO12D, PRO165E, PRO166E, PRO200D, PRO89D, PRO91D, SER100E, SER101E, SER102E, SER41D, SER44D, SER82E, SER97E, THR112E, THR81E, TRP108E, TRP203D, TRP98E, TYR195D, TYR40D, TYR47D, TYR71E, VAL10D, VAL115E, VAL151D, VAL163E, VAL196D, VAL202D, VAL204D, VAL68D, VAL80E, VAL84E, VAL8D
• D-H: ARG146D, ARG146H, VAL16H
• D-I: ARG120D, ARG77D, HIS78D, HIS78I, LYS143D, LYS143I
• E-G: ARG146E, ARG146G, ASP145E, GLU14E, VAL16E, VAL16G
• E-H: ARG120E, ARG120H, ARG77E, HIS78E, HIS78H, LYS143E, LYS143H
• F-G: ALA105G, ALA39F, ALA90F, ARG120G, ARG13F, ARG45F, ASP42F, GLN121G, GLU106G, GLU14F, GLU153F, GLU167G, GLU70G, GLU86F, GLU86G, GLU99G, GLY103G, GLY118G, GLY122G, GLY152F, GLY194F, GLY69G, ILE104G, ILE169G, ILE197F, ILE198F, ILE85G, LEU114G, LEU119G, LEU164G, LEU170G, LEU201F, LEU43F, LYS116G, LYS117G, LYS199F, LYS79G, LYS83G, LYS87F, PHE107G, PHE11F, PHE150F, PHE88F, PRO113G, PRO12F, PRO165G, PRO166G, PRO200F, PRO89F, PRO91F, SER100G, SER101G, SER102G, SER41F, SER44F, SER82G, SER97G, THR112G, THR81G, TRP108G, TRP203F, TRP98G, TYR195F, TYR40F, VAL10F, VAL115G, VAL151F, VAL163G, VAL196F, VAL202F, VAL204F, VAL80G, VAL84G, VAL8F
• F-J: ALA105F, ALA39J, ALA90J, ARG120F, ARG13J, ARG45J, ASN32F, ASP42J, GLN121F, GLU106F, GLU14J, GLU153J, GLU167F, GLU70F, GLU86F, GLU86J, GLU99F, GLY103F, GLY118F, GLY122F, GLY152J, GLY194J, GLY69F, HIS78F, ILE104F, ILE154J, ILE169F, ILE192J, ILE197J, ILE198J, ILE85F, LEU114F, LEU119F, LEU164F, LEU201J, LEU43J, LYS116F, LYS117F, LYS199J, LYS79F, LYS83F, LYS87J, PHE107F, PHE11J, PHE150J, PHE88J, PHE9J, PRO113F, PRO12J, PRO165F, PRO166F, PRO200J, PRO89J, PRO91J, SER100F, SER101F, SER102F, SER41J, SER44J, SER82F, SER97F, THR112F, THR81F, TRP108F, TRP203J, TRP98F, TYR195J, TYR40J, VAL10J, VAL115F, VAL151J, VAL163F, VAL196J, VAL202J, VAL204J, VAL68J, VAL80F, VAL84F, VAL8J
• G-H: ALA105H, ALA39G, ALA90G, ARG120H, ARG13G, ARG45G, ASP42G, GLN121H, GLU106H, GLU14G, GLU153G, GLU167H, GLU70H, GLU86G, GLU86H, GLU99H, GLY103H, GLY111H, GLY118H, GLY152G, GLY194G, GLY69H, HIS78H, ILE104H, ILE154G, ILE169H, ILE197G, ILE198G, ILE85H, LEU114H, LEU119H, LEU164H, LEU201G, LEU43G, LYS116H, LYS117H, LYS199G, LYS79H, LYS7G, LYS83H, LYS87G, PHE107H, PHE11G, PHE150G, PHE88G, PHE9G, PRO113H, PRO12G, PRO165H, PRO166H, PRO200G, PRO89G, PRO91G, SER100H, SER101H, SER102H, SER41G, SER44G, SER82H, SER97H, THR112H, THR81H, TRP108H, TRP203G, TRP98H, TYR195G, TYR40G, TYR71H, VAL10G, VAL115H, VAL151G, VAL163H, VAL196G, VAL202G, VAL204G, VAL68G, VAL80H, VAL84H, VAL8G
• H-I: ALA105I, ALA39H, ALA90H, ARG120I, ARG13H, ARG45H, ASP42H, GLN121I, GLU106I, GLU14H, GLU153H, GLU167I, GLU70I, GLU86H, GLU86I, GLU99I, GLY103I, GLY118I, GLY152H, GLY194H, GLY69I, ILE104I, ILE154H, ILE169I, ILE197H, ILE198H, ILE85I, LEU114I, LEU119I, LEU164I, LEU170I, LEU201H, LEU43H, LYS116I, LYS117I, LYS199H, LYS83I, LYS87H, PHE107I, PHE11H, PHE150H, PHE88H, PHE9H, PRO113I, PRO12H, PRO165I, PRO166I, PRO200H, PRO89H, PRO91H, SER100I, SER101I, SER102I, SER41H, SER44H, SER82I, SER97I, THR112I, THR81I, TRP108I, TRP203H, TRP98I, TYR195H, TYR40H, TYR71I, VAL10H, VAL115I, VAL151H, VAL163I, VAL196H, VAL202H, VAL204H, VAL80I, VAL84I, VAL8H
• I-J: ALA105J, ALA39I, ALA90I, ARG120J, ARG13I, ARG45I, ASP42I, GLN121J, GLU106J, GLU14I, GLU153I, GLU70J, GLU86I, GLU86J, GLU99J, GLY103J, GLY118J, GLY122J, GLY152I, GLY194I, GLY69J, HIS78J, ILE104J, ILE197I, ILE198I, ILE85J, LEU114J, LEU119J, LEU201I, LEU43I, LYS116J, LYS117J, LYS199I, LYS79J, LYS7I, LYS83J, LYS87I, PHE107J, PHE11I, PHE150I, PHE88I, PHE9I, PRO113J, PRO12I, PRO165J, PRO166J, PRO200I, PRO89I, PRO91I, SER100J, SER101J, SER102J, SER41I, SER44I, SER82J, SER97J, THR112J, THR81J, TRP108J, TRP203I, TRP98J, TYR195I, TYR40I, TYR71J, VAL10I, VAL115J, VAL151I, VAL163J, VAL196I, VAL202I, VAL204I, VAL80J, VAL84J, VAL8I