1V8O

crystal structure of pae2754 from pyrobaculum aerophilum

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 57
  • Norm. En. per Res.: -4.8957
• Hub Node: A(3)

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	-10.5425	-75.3584	-406.549	-492.4499	120	27	12	15383	6	44	26
A-C	-50.6647	-105.6456	-122.746	-279.0563	57	12	0	4367	6	36	15
A-D	0.0	0.0	-5.0805	-5.0805	21	0	0	374	0	7	13
B-C	0.0	0.0	-2.3523	-2.3523	19	0	0	226	0	6	9
B-D	-27.4955	-80.5777	-110.075	-218.1482	59	11	0	4271	4	36	16
C-D	-15.1934	-80.4718	-355.992	-451.6573	117	21	12	13990	6	39	25
C-E	0.0	0.0	-0.0058	-0.0058	2	0	0	3	0	1	1
C-F	0.0	-1.0852	-91.8723	-92.9575	56	7	0	4433	0	35	21
D-F	-11.1466	0.0	-5.6967	-16.8433	14	1	0	405	1	6	11
E-F	-14.0617	-70.0303	-404.901	-488.993	125	22	12	15154	4	40	26
E-G	-38.5969	-107.4987	-101.069	-247.1645	58	7	0	3994	6	36	16
E-H	0.0	0.0	-8.3535	-8.3535	21	0	0	448	0	6	13
F-G	0.0	0.0	-6.4544	-6.4544	20	0	0	403	0	6	13
F-H	-35.7297	-93.1825	-111.156	-240.0682	59	10	0	4349	5	36	16
G-H	-10.3221	-68.65	-399.138	-478.1101	121	24	12	14739	5	39	25

Interface residues

• A-B: ALA39A, ALA39B, ALA42A, ALA42B, ALA47A, ALA47B, ALA55A, ALA55B, ALA56A, ALA56B, ALA57A, ALA57B, ALA83A, ALA83B, ALA93A, ALA93B, ALA9A, ARG48A, ARG48B, ARG51A, ARG59A, ARG59B, ARG81A, ARG81B, ASN41A, ASN41B, ASP53A, ASP73A, ASP73B, ASP77A, ASP77B, ASP92A, ASP92B, GLU38A, GLU38B, GLU46A, GLU72A, GLU72B, GLU78A, GLU78B, GLU85A, GLU85B, GLY40A, GLY40B, GLY87A, GLY87B, HIS33A, HIS33B, HIS60A, HIS60B, ILE31A, ILE31B, ILE36A, ILE36B, LEU12A, LEU12B, LEU32A, LEU32B, LEU34A, LEU34B, LEU43A, LEU43B, LEU61A, LEU61B, LEU71A, LEU71B, LEU76A, LEU76B, LEU88A, LEU88B, LYS116A, LYS116B, LYS45A, LYS45B, LYS62A, LYS62B, LYS63A, LYS63B, PHE90A, PHE90B, PRO74A, PRO74B, PRO75A, PRO75B, SER58A, SER58B, SER66A, SER66B, SER94A, SER94B, THR35A, THR35B, THR89A, THR89B, TRP44A, TRP44B, TRP54A, TRP54B, TYR13A, TYR13B, TYR37A, TYR37B, TYR91A, TYR91B, TYR95A, TYR95B, TYR97A, TYR97B, VAL64A, VAL64B, VAL70A, VAL70B, VAL79A, VAL79B, VAL82A, VAL82B, VAL84A, VAL84B, VAL98A, VAL98B
• A-C: ALA11A, ALA11C, ALA14A, ALA47A, ALA47C, ALA9A, ALA9C, ARG111A, ARG111C, ARG48A, ARG48C, ARG51A, ARG51C, ASP110A, ASP110C, ASP122A, ASP122C, ASP8A, ASP8C, ASP92A, ASP92C, GLN109A, GLN109C, GLU112A, GLU112C, GLU46A, GLU46C, GLY50A, GLY50C, GLY87A, GLY87C, LEU113A, LEU113C, LEU114A, LEU114C, LEU49A, LEU49C, LEU88A, LEU88C, LYS116A, LYS116C, LYS45A, LYS45C, SER10A, SER10C, THR108A, THR108C, THR89A, THR89C, TRP44A, TRP44C, TRP54A, TRP54C, TYR13A, TYR13C, VAL52A, VAL52C
• A-D: ALA83A, ALA83D, ARG111A, ARG111D, ARG48A, ARG48D, ARG86A, ARG86D, GLU112A, GLU112D, GLU85A, GLY87A, GLY87D, LEU88A, LEU88D, LYS116A, LYS116D, THR89A, THR89D, VAL84A, VAL84D
• B-C: ALA83C, ARG111B, ARG111C, ARG48B, ARG48C, ARG86B, ARG86C, GLU112B, GLU112C, GLY87B, GLY87C, LEU88B, LEU88C, LYS116B, LYS116C, THR89B, THR89C, VAL84B, VAL84C
• B-D: ALA11B, ALA11D, ALA14B, ALA14D, ALA47B, ALA47D, ALA9B, ALA9D, ARG111B, ARG111D, ARG48B, ARG48D, ARG51B, ARG51D, ARG86B, ASP110B, ASP110D, ASP122B, ASP122D, ASP8B, ASP8D, ASP92B, ASP92D, GLN109B, GLN109D, GLU112B, GLU112D, GLU46B, GLU46D, GLY50B, GLY50D, GLY87B, GLY87D, LEU113B, LEU113D, LEU114B, LEU114D, LEU49B, LEU49D, LEU88B, LEU88D, LYS116B, LYS116D, LYS45B, LYS45D, SER10B, SER10D, THR108B, THR108D, THR89B, THR89D, TRP44B, TRP44D, TRP54B, TRP54D, TYR13B, TYR13D, VAL52B, VAL52D
• C-D: ALA39C, ALA39D, ALA42C, ALA42D, ALA47C, ALA47D, ALA55C, ALA55D, ALA56C, ALA56D, ALA57C, ALA57D, ALA83C, ALA83D, ALA93C, ALA93D, ARG48C, ARG48D, ARG59C, ARG59D, ARG81C, ARG81D, ASN41C, ASN41D, ASP53C, ASP73C, ASP73D, ASP77C, ASP77D, ASP92C, ASP92D, GLU112C, GLU38C, GLU38D, GLU72C, GLU72D, GLU78C, GLU78D, GLU85C, GLU85D, GLY40C, GLY40D, GLY87C, GLY87D, HIS33C, HIS33D, HIS60C, HIS60D, ILE31C, ILE31D, ILE36C, ILE36D, LEU12C, LEU12D, LEU32C, LEU32D, LEU34C, LEU34D, LEU43C, LEU43D, LEU61C, LEU61D, LEU6D, LEU71C, LEU71D, LEU76C, LEU76D, LEU88C, LEU88D, LYS45C, LYS45D, LYS62C, LYS62D, LYS63C, LYS63D, PHE90C, PHE90D, PRO74C, PRO74D, PRO75C, PRO75D, SER58C, SER58D, SER66C, SER66D, SER94C, SER94D, THR35C, THR35D, THR89C, THR89D, TRP44C, TRP44D, TRP54C, TRP54D, TYR13C, TYR13D, TYR37C, TYR37D, TYR91C, TYR91D, TYR95C, TYR95D, TYR97C, TYR97D, VAL64C, VAL64D, VAL70C, VAL70D, VAL79C, VAL79D, VAL82C, VAL82D, VAL84C, VAL84D, VAL98C, VAL98D
• C-E: GLU72E, LYS118C
• C-F: ALA16F, ALA17F, ALA1C, ALA2C, ALA2F, ALA56F, ALA99C, ARG26F, ARG59F, ARG81C, ASP20F, ASP73C, ASP77C, GLN133C, GLU100C, GLU27F, GLU4C, GLU72C, GLU78C, GLY103C, GLY1C, HIS18F, HIS25F, HIS60F, ILE23F, LEU104C, LEU32C, LEU6C, LEU71C, LEU76C, LYS118C, LYS21F, LYS24F, LYS28C, LYS28F, LYS62F, LYS63F, LYS69C, LYS69F, PHE68F, PRO74C, PRO75C, SER101C, SER102C, SER66F, SER67F, TRP22F, TYR19F, TYR5C, TYR97C, VAL105C, VAL3C, VAL3F, VAL64F, VAL79C, VAL98C
• D-F: ALA2F, ARG26F, ARG59D, GLN133F, GLU27F, GLU4F, HIS25F, ILE36D, LYS24F, LYS28F, LYS62D, SER66D, SER67D, VAL70D
• E-F: ALA39E, ALA39F, ALA42E, ALA42F, ALA47E, ALA47F, ALA55E, ALA55F, ALA56E, ALA56F, ALA57E, ALA57F, ALA83E, ALA83F, ALA93E, ALA93F, ALA9E, ALA9F, ARG48E, ARG48F, ARG51E, ARG51F, ARG59E, ARG59F, ARG81E, ARG81F, ARG86E, ARG86F, ASN41E, ASN41F, ASP53E, ASP73E, ASP73F, ASP77E, ASP77F, ASP92E, ASP92F, GLU112E, GLU38E, GLU38F, GLU46E, GLU72E, GLU72F, GLU78E, GLU78F, GLU85E, GLU85F, GLY40E, GLY40F, GLY50F, GLY87E, GLY87F, HIS33E, HIS33F, HIS60E, HIS60F, ILE36E, ILE36F, LEU12E, LEU12F, LEU32E, LEU32F, LEU34E, LEU34F, LEU43E, LEU43F, LEU61E, LEU61F, LEU6E, LEU71E, LEU71F, LEU76E, LEU76F, LEU88E, LEU88F, LYS116E, LYS116F, LYS45E, LYS45F, LYS62E, LYS62F, LYS63E, LYS63F, PHE90E, PHE90F, PRO74E, PRO74F, PRO75E, PRO75F, SER58E, SER58F, SER66E, SER66F, SER94E, SER94F, THR35E, THR35F, THR89E, THR89F, TRP44E, TRP44F, TRP54E, TRP54F, TYR13E, TYR13F, TYR37E, TYR37F, TYR91E, TYR91F, TYR95E, TYR95F, TYR97E, TYR97F, VAL64E, VAL64F, VAL70E, VAL70F, VAL79E, VAL79F, VAL82E, VAL82F, VAL84E, VAL84F, VAL98E, VAL98F
• E-G: ALA11E, ALA11G, ALA14E, ALA14G, ALA47E, ALA47G, ALA9E, ALA9G, ARG111E, ARG111G, ARG48E, ARG48G, ARG51E, ARG51G, ASP110E, ASP110G, ASP122E, ASP122G, ASP8E, ASP8G, ASP92E, ASP92G, GLN109E, GLN109G, GLU112E, GLU112G, GLU46E, GLU46G, GLY50E, GLY50G, GLY87E, GLY87G, LEU113E, LEU113G, LEU114E, LEU114G, LEU49E, LEU49G, LEU88E, LEU88G, LYS116E, LYS116G, LYS45E, LYS45G, SER10E, SER10G, THR108E, THR108G, THR89E, THR89G, TRP44E, TRP44G, TRP54E, TRP54G, TYR13E, TYR13G, VAL52E, VAL52G
• E-H: ALA83E, ALA83H, ARG111E, ARG111H, ARG48E, ARG48H, ARG86E, ARG86H, GLU112E, GLU112H, GLU85E, GLY87E, GLY87H, LEU88E, LEU88H, LYS116E, LYS116H, THR89E, THR89H, VAL84E, VAL84H
• F-G: ALA83G, ARG111F, ARG111G, ARG48F, ARG48G, ARG86F, ARG86G, GLU112F, GLU112G, GLU85G, GLY87F, GLY87G, LEU88F, LEU88G, LYS116F, LYS116G, THR89F, THR89G, VAL84F, VAL84G
• F-H: ALA11F, ALA11H, ALA14F, ALA14H, ALA42F, ALA47F, ALA47H, ALA9F, ALA9H, ARG111F, ARG111H, ARG48F, ARG48H, ARG51F, ARG51H, ASP110F, ASP110H, ASP122F, ASP122H, ASP8F, ASP8H, ASP92F, ASP92H, GLN109F, GLN109H, GLU112F, GLU112H, GLU46F, GLU46H, GLY50F, GLY50H, GLY87F, GLY87H, LEU113F, LEU113H, LEU114F, LEU114H, LEU49F, LEU49H, LEU88F, LEU88H, LYS116F, LYS116H, LYS45F, LYS45H, SER10F, SER10H, THR108F, THR108H, THR89F, THR89H, TRP44F, TRP44H, TRP54F, TRP54H, TYR13F, TYR13H, VAL52F, VAL52H
• G-H: ALA39G, ALA39H, ALA42G, ALA42H, ALA47G, ALA47H, ALA55G, ALA55H, ALA56G, ALA56H, ALA57G, ALA57H, ALA83G, ALA83H, ALA93G, ALA93H, ALA9H, ARG48G, ARG48H, ARG51G, ARG59G, ARG59H, ARG81G, ARG81H, ARG86H, ASN41G, ASN41H, ASP53G, ASP73G, ASP73H, ASP77G, ASP77H, ASP92G, ASP92H, GLU112G, GLU38G, GLU38H, GLU72G, GLU72H, GLU78G, GLU78H, GLU85G, GLU85H, GLY40G, GLY40H, GLY87G, GLY87H, HIS33G, HIS33H, HIS60G, HIS60H, ILE31G, ILE31H, ILE36G, ILE36H, LEU12G, LEU12H, LEU32G, LEU32H, LEU34G, LEU34H, LEU43G, LEU43H, LEU61G, LEU61H, LEU71G, LEU71H, LEU76G, LEU76H, LEU88G, LEU88H, LYS116G, LYS116H, LYS45G, LYS45H, LYS62G, LYS62H, LYS63G, LYS63H, PHE90G, PHE90H, PRO74G, PRO74H, PRO75G, PRO75H, SER58G, SER58H, SER66G, SER66H, SER94G, SER94H, THR35G, THR35H, THR89G, THR89H, TRP44G, TRP44H, TRP54G, TRP54H, TYR13G, TYR13H, TYR37G, TYR37H, TYR91G, TYR91H, TYR95G, TYR95H, TYR97G, TYR97H, VAL64G, VAL64H, VAL70G, VAL70H, VAL79G, VAL79H, VAL82G, VAL82H, VAL84G, VAL84H, VAL98G, VAL98H