1YUD

x-ray crystal structure of protein so0799 from shewanella oneidensis. northeast structural genomics consortium target sor12.

• Total interactions analyzed: 45
• Total true interactions: 11
• Strongest Interaction:
  • Chains: D-J
  • Int. Res.: 134
  • Norm. En. per Res.: -3.1965
• 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-H	-26.74	15.969	-404.414	-415.185	132	31	8	15673	0	18	19
B-C	-15.3653	17.1293	-395.714	-393.95	135	28	8	15417	0	18	18
B-H	-13.5087	-66.6503	-147.142	-227.301	77	12	3	5087	5	34	31
C-F	-29.3805	-69.6531	-148.43	-247.4637	78	14	3	5071	4	40	36
C-I	0.0	-3.3736	-4.9714	-8.3451	11	0	0	397	0	3	3
D-G	-20.164	-22.7138	-120.728	-163.6058	68	1	3	4297	2	34	33
D-J	-25.1437	16.5236	-419.713	-428.3332	134	37	9	15801	0	18	18
E-F	-27.2937	18.1833	-406.414	-415.5244	136	26	8	15585	0	18	17
F-I	0.0	0.0	-0.0581	-0.0581	6	0	0	28	0	4	2
G-I	-10.9492	19.8377	-398.869	-389.9805	133	34	8	15406	0	18	18
H-J	-9.9464	2.6114	-61.0589	-68.3939	46	4	1	3186	0	11	5

Interface residues

• A-H: ALA31A, ALA31H, ALA4H, ALA59A, ALA59H, ALA67A, ALA67H, ALA85A, ALA85H, ALA92A, ALA92H, ALA93A, ALA93H, ARG23A, ARG23H, ARG27A, ARG27H, ARG96A, ARG96H, ASN3A, ASN3H, ASP33A, ASP5A, ASP5H, ASP60A, ASP60H, ASP6A, ASP6H, ASP90A, ASP90H, CYS121A, CYS121H, GLN2A, GLN2H, GLN37A, GLN37H, GLN98A, GLN98H, GLU12A, GLU12H, GLU29A, GLU29H, GLU61A, GLU61H, GLU95A, GLU95H, GLY120A, GLY120H, GLY126A, GLY126H, GLY68A, GLY68H, GLY88A, GLY88H, GLY94A, HIS66A, HIS66H, ILE42A, ILE42H, ILE8A, ILE8H, LEU100A, LEU100H, LEU118A, LEU118H, LEU11A, LEU11H, LEU13A, LEU13H, LEU38A, LEU38H, LEU45H, LEU87A, LEU87H, LEU89A, LEU89H, LEU91A, LEU91H, LYS103A, LYS103H, LYS9A, LYS9H, PHE10A, PHE10H, PHE116A, PHE116H, PHE32A, PHE32H, PHE44A, PHE44H, PHE65A, PHE65H, PHE7A, PHE7H, PHE99A, PHE99H, PRO102A, PRO102H, PRO125A, PRO125H, PRO97A, PRO97H, SER124A, SER124H, SER24A, SER24H, SER25A, SER25H, SER28A, SER28H, SER40A, SER40H, SER41A, SER41H, THR30A, THR30H, TRP39A, TRP39H, TRP63A, TRP63H, TYR26A, TYR26H, TYR43A, TYR43H, TYR64A, TYR64H, VAL101A, VAL101H, VAL119A, VAL119H, VAL123A, VAL123H
• B-C: ALA31B, ALA31C, ALA4B, ALA59B, ALA59C, ALA67B, ALA67C, ALA85B, ALA85C, ALA92B, ALA92C, ALA93B, ALA93C, ARG23B, ARG23C, ARG27B, ARG27C, ARG96B, ARG96C, ASN3B, ASN3C, ASP33C, ASP5B, ASP5C, ASP60B, ASP60C, ASP6B, ASP6C, ASP90B, ASP90C, CYS121B, CYS121C, GLN2B, GLN2C, GLN37B, GLN37C, GLN98B, GLN98C, GLU12B, GLU12C, GLU29B, GLU29C, GLU61B, GLU61C, GLU95B, GLU95C, GLY120B, GLY120C, GLY126B, GLY126C, GLY68B, GLY68C, GLY88B, GLY88C, GLY94C, HIS66B, HIS66C, ILE42B, ILE42C, ILE73C, ILE8B, ILE8C, LEU100B, LEU100C, LEU118B, LEU118C, LEU11B, LEU11C, LEU13B, LEU13C, LEU38B, LEU38C, LEU45B, LEU45C, LEU87B, LEU87C, LEU89B, LEU89C, LEU91B, LEU91C, LYS103B, LYS103C, LYS9B, LYS9C, PHE10B, PHE10C, PHE116B, PHE116C, PHE32B, PHE32C, PHE44B, PHE44C, PHE65B, PHE65C, PHE7B, PHE7C, PHE99B, PHE99C, PRO102B, PRO102C, PRO125B, PRO125C, PRO97B, PRO97C, SER124B, SER124C, SER24B, SER24C, SER25B, SER25C, SER28B, SER28C, SER40B, SER40C, SER41B, SER41C, THR30B, THR30C, THR58B, TRP39B, TRP39C, TRP63B, TRP63C, TYR26B, TYR26C, TYR43B, TYR43C, TYR64B, TYR64C, VAL101B, VAL101C, VAL119B, VAL119C, VAL123B, VAL123C
• B-H: ARG156B, ARG156H, ARG23B, ARG23H, ARG27B, ARG27H, ARG36B, ARG36H, ARG47H, ASP130B, ASP130H, ASP131B, ASP131H, ASP5H, GLN15B, GLN15H, GLN37B, GLN37H, GLU12B, GLU12H, GLU133B, GLU133H, GLU14B, GLU14H, GLU158B, GLU158H, GLU18B, GLU18H, GLU29B, GLU29H, GLY126B, GLY126H, GLY19B, GLY19H, GLY20B, GLY20H, HIS16B, HIS16H, HIS53B, ILE42B, ILE42H, ILE8B, ILE8H, LEU11B, LEU11H, LEU134B, LEU134H, LEU13B, LEU13H, LYS9B, LYS9H, PHE127B, PHE127H, PHE129B, PHE129H, PHE132B, PHE132H, PHE21B, PHE21H, SER24B, SER24H, SER25B, SER25H, SER35B, SER35H, SER40B, SER40H, SER41B, THR128B, THR128H, TYR22B, TYR22H, TYR43B, TYR43H, VAL123H, VAL17B, VAL17H
• C-F: ARG156C, ARG156F, ARG23C, ARG23F, ARG27C, ARG27F, ARG36C, ARG36F, ARG47C, ARG47F, ASP130C, ASP130F, ASP131C, ASP131F, ASP5F, GLN15C, GLN15F, GLN37C, GLN37F, GLU12C, GLU12F, GLU133C, GLU133F, GLU14C, GLU14F, GLU158C, GLU158F, GLU18C, GLU18F, GLU29C, GLU50C, GLU50F, GLY126C, GLY126F, GLY19C, GLY19F, GLY20C, GLY20F, HIS16C, HIS16F, HIS53F, ILE42C, ILE42F, ILE8C, ILE8F, LEU11C, LEU11F, LEU134C, LEU134F, LEU13C, LEU13F, LYS9C, LYS9F, PHE127C, PHE127F, PHE129C, PHE129F, PHE132C, PHE132F, PHE135F, PHE21C, PHE21F, SER24C, SER24F, SER25C, SER25F, SER35F, SER40C, SER40F, THR128C, THR128F, TYR22C, TYR22F, TYR43C, TYR43F, VAL123F, VAL17C, VAL17F
• C-I: ALA149I, ARG36C, ASP33C, GLN146I, GLN152I, HIS147I, LYS148I, PRO145I, PRO34C, SER35C, VAL150I
• D-G: ARG156D, ARG156G, ARG23D, ARG23G, ARG27D, ARG27G, ARG36D, ARG47D, ARG47G, ASP130D, ASP130G, ASP131D, ASP131G, GLN15D, GLN15G, GLN37G, GLU12D, GLU12G, GLU133D, GLU133G, GLU14D, GLU14G, GLU158D, GLU158G, GLU18D, GLU18G, GLU29G, GLU50D, GLY126G, GLY19D, GLY19G, GLY20D, GLY20G, HIS16D, HIS16G, HIS53D, ILE42D, ILE42G, ILE8D, ILE8G, LEU11D, LEU11G, LEU134D, LEU134G, LEU13D, LEU13G, LYS9D, PHE127D, PHE127G, PHE129D, PHE129G, PHE132D, PHE132G, PHE21D, PHE21G, PRO34G, SER24D, SER24G, SER25D, SER25G, SER40G, THR128D, THR128G, TYR22D, TYR22G, TYR43G, VAL17D, VAL17G
• D-J: ALA31D, ALA31J, ALA4D, ALA4J, ALA59D, ALA59J, ALA67D, ALA67J, ALA85D, ALA85J, ALA92D, ALA92J, ALA93D, ALA93J, ARG23D, ARG23J, ARG27D, ARG27J, ARG96D, ARG96J, ASN3D, ASN3J, ASP5D, ASP5J, ASP60D, ASP60J, ASP6D, ASP6J, ASP90D, ASP90J, CYS121D, CYS121J, GLN2D, GLN2J, GLN37D, GLN37J, GLN98D, GLN98J, GLU12D, GLU12J, GLU29D, GLU29J, GLU61D, GLU61J, GLU95D, GLU95J, GLY120D, GLY120J, GLY126D, GLY126J, GLY68D, GLY68J, GLY88D, GLY88J, GLY94D, HIS66D, HIS66J, ILE42D, ILE42J, ILE73D, ILE8D, ILE8J, LEU100D, LEU100J, LEU118D, LEU118J, LEU11D, LEU11J, LEU13D, LEU13J, LEU38D, LEU38J, LEU45D, LEU45J, LEU87D, LEU87J, LEU89D, LEU89J, LEU91D, LEU91J, LYS103D, LYS103J, LYS9D, LYS9J, PHE10D, PHE10J, PHE116D, PHE116J, PHE32D, PHE32J, PHE44D, PHE44J, PHE65D, PHE65J, PHE7D, PHE7J, PHE99D, PHE99J, PRO102D, PRO102J, PRO125D, PRO125J, PRO97D, PRO97J, SER124D, SER124J, SER24D, SER24J, SER25D, SER25J, SER28D, SER28J, SER40D, SER40J, SER41D, SER41J, THR30D, THR30J, TRP39D, TRP39J, TRP63D, TRP63J, TYR26D, TYR26J, TYR43D, TYR43J, TYR64D, TYR64J, VAL101D, VAL101J, VAL119D, VAL119J, VAL123D, VAL123J
• E-F: ALA31E, ALA31F, ALA4E, ALA4F, ALA59E, ALA59F, ALA67E, ALA67F, ALA85E, ALA85F, ALA92E, ALA92F, ALA93E, ALA93F, ARG23E, ARG23F, ARG27E, ARG27F, ARG96E, ARG96F, ASN3E, ASN3F, ASP33F, ASP5E, ASP5F, ASP60E, ASP60F, ASP6E, ASP6F, ASP90E, ASP90F, CYS121E, CYS121F, GLN2E, GLN2F, GLN37E, GLN37F, GLN86F, GLN98E, GLN98F, GLU12E, GLU12F, GLU29E, GLU29F, GLU61E, GLU61F, GLU95E, GLU95F, GLY120E, GLY120F, GLY126E, GLY126F, GLY68E, GLY68F, GLY88E, GLY88F, GLY94E, GLY94F, HIS66E, HIS66F, ILE42E, ILE42F, ILE8E, ILE8F, LEU100E, LEU100F, LEU118E, LEU118F, LEU11E, LEU11F, LEU13E, LEU13F, LEU38E, LEU38F, LEU45E, LEU45F, LEU87E, LEU87F, LEU89E, LEU89F, LEU91E, LEU91F, LYS103E, LYS103F, LYS9E, LYS9F, PHE10E, PHE10F, PHE116E, PHE116F, PHE32E, PHE32F, PHE44E, PHE44F, PHE65E, PHE65F, PHE7E, PHE7F, PHE99E, PHE99F, PRO102E, PRO102F, PRO125E, PRO125F, PRO97E, PRO97F, SER124E, SER124F, SER24E, SER24F, SER25E, SER25F, SER28E, SER28F, SER40E, SER40F, SER41E, SER41F, THR30E, THR30F, TRP39E, TRP39F, TRP63E, TRP63F, TYR26E, TYR26F, TYR43E, TYR43F, TYR64E, TYR64F, VAL101E, VAL101F, VAL119E, VAL119F, VAL123E, VAL123F
• F-I: ALA142I, GLU138I, GLY49F, LYS148I, LYS153F, PRO157F
• G-I: ALA31G, ALA31I, ALA4G, ALA4I, ALA59G, ALA59I, ALA67G, ALA67I, ALA85G, ALA85I, ALA92G, ALA92I, ALA93G, ALA93I, ARG23G, ARG23I, ARG27G, ARG27I, ARG96G, ARG96I, ASN3G, ASN3I, ASP33G, ASP5G, ASP5I, ASP60G, ASP60I, ASP6G, ASP6I, ASP90G, ASP90I, CYS121G, CYS121I, GLN2G, GLN2I, GLN37G, GLN37I, GLN98G, GLN98I, GLU12G, GLU12I, GLU29G, GLU29I, GLU61G, GLU61I, GLU95G, GLU95I, GLY120G, GLY120I, GLY126G, GLY126I, GLY68G, GLY68I, GLY88G, GLY88I, GLY94I, HIS66G, HIS66I, ILE42G, ILE42I, ILE8G, ILE8I, LEU100G, LEU100I, LEU118G, LEU118I, LEU11G, LEU11I, LEU13G, LEU13I, LEU38G, LEU38I, LEU45I, LEU87G, LEU87I, LEU89G, LEU89I, LEU91G, LEU91I, LYS103G, LYS103I, LYS9G, LYS9I, PHE10G, PHE10I, PHE116G, PHE116I, PHE32G, PHE32I, PHE44G, PHE44I, PHE65G, PHE65I, PHE7G, PHE7I, PHE99G, PHE99I, PRO102G, PRO102I, PRO125G, PRO125I, PRO97G, PRO97I, SER124G, SER124I, SER24G, SER24I, SER25G, SER25I, SER28G, SER28I, SER40G, SER40I, SER41G, SER41I, THR30G, THR30I, TRP39G, TRP39I, TRP63G, TRP63I, TYR26G, TYR26I, TYR43G, TYR43I, TYR64G, TYR64I, VAL101G, VAL101I, VAL119G, VAL119I, VAL123G, VAL123I
• H-J: ALA110H, ALA142J, ALA149H, ALA149J, ALA85H, ALA92H, ALA93H, ASN112H, ASN112J, GLN113H, GLN137J, GLN146H, GLN146J, GLN152H, GLN152J, GLN86H, GLU79J, GLU81J, GLU95H, GLY80J, GLY94H, HIS147H, HIS147J, ILE73H, LEU141J, LEU154H, LEU71H, LEU82H, LEU82J, LYS148H, LYS148J, LYS153H, LYS153J, PRO145J, PRO157J, SER70H, THR72H, THR72J, THR83H, THR84H, TYR144J, TYR74H, TYR74J, VAL150H, VAL150J, VAL151H