3RXY

crystal structure of nif3 superfamily protein from sphaerobacter thermophilus

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 92
  • Norm. En. per Res.: -2.9829
• Hub Node: A(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-E	-25.9652	-41.6439	-194.34	-261.9491	96	7	9	9003	1	20	24
A-F	-26.9961	-36.0647	-199.325	-262.3858	92	8	9	8754	1	20	24
B-C	-34.2473	-41.4608	-202.66	-278.3681	94	6	9	9090	1	20	24
B-D	-34.2525	-40.0701	-200.106	-274.4286	92	10	9	9068	1	20	24
C-D	-32.0007	-39.6459	-202.503	-274.1496	94	10	9	8973	1	20	24
C-E	-11.0921	-14.2877	-67.921	-93.3008	45	1	2	2644	1	16	18
D-F	-18.0363	0.0	-55.3393	-73.3756	39	4	2	2219	0	16	17
E-F	-24.8699	-37.5363	-195.952	-258.3582	95	9	9	8967	1	20	24

Interface residues

• A-E: ALA110A, ALA113A, ALA122A, ALA177E, ALA178E, ALA227E, ALA231E, ALA249E, ALA47A, ALA47E, ALA52E, ARG105A, ARG109A, ARG123A, ARG180E, ARG235E, ARG236E, ARG271E, ARG37E, ARG53A, ARG53E, ASN114A, ASN204E, ASN73A, ASP116A, ASP251E, ASP43E, CYS57E, GLN111A, GLN54A, GLN54E, GLU126A, GLU229A, GLU229E, GLU230E, GLU232E, GLU48A, GLU48E, GLY101A, GLY246E, GLY274E, GLY41E, GLY45A, GLY45E, GLY68A, HIS115A, HIS117A, HIS225E, HIS247E, HIS63E, HIS64E, ILE181E, ILE224E, ILE226E, ILE243E, ILE248E, ILE42E, ILE44E, LEU107A, LEU108A, LEU124A, LEU125A, LEU242E, LEU252E, LEU275E, LEU49A, LEU49E, LEU50A, LEU50E, LEU51A, LEU51E, LEU55E, LEU72A, PHE174E, PRO119A, PRO184E, PRO228E, PRO46A, PRO46E, SER106A, SER112A, SER120A, SER250E, SER273E, SER69A, THR104A, THR118A, THR179E, THR245E, THR71A, TYR223E, VAL121A, VAL183E, VAL185E, VAL244E, VAL270E
• A-F: ALA110F, ALA113F, ALA122F, ALA177A, ALA178A, ALA227A, ALA231A, ALA249A, ALA47A, ALA47F, ALA52A, ARG105F, ARG109F, ARG123F, ARG180A, ARG235A, ARG271A, ARG37A, ARG53A, ARG53F, ASN114F, ASN73F, ASP116F, ASP251A, ASP43A, CYS57A, GLN111F, GLN54A, GLN54F, GLU126F, GLU229A, GLU230A, GLU232A, GLU48A, GLU48F, GLY101F, GLY246A, GLY274A, GLY41A, GLY45A, GLY45F, GLY68F, HIS115F, HIS117F, HIS225A, HIS247A, HIS63A, HIS64A, ILE181A, ILE224A, ILE226A, ILE243A, ILE248A, ILE42A, ILE44A, LEU107F, LEU108F, LEU124F, LEU125F, LEU242A, LEU252A, LEU275A, LEU49A, LEU49F, LEU50A, LEU50F, LEU51A, LEU51F, LEU55A, LEU72F, PHE174A, PRO119F, PRO184A, PRO228A, PRO46A, PRO46F, SER106F, SER112F, SER120F, SER250A, SER273A, SER69F, THR104F, THR118F, THR179A, THR245A, TYR223A, VAL121F, VAL183A, VAL185A, VAL244A, VAL270A
• B-C: ALA110C, ALA113C, ALA122C, ALA177B, ALA178B, ALA227B, ALA231B, ALA249B, ALA47B, ALA47C, ALA52B, ARG105C, ARG109C, ARG123C, ARG180B, ARG233C, ARG235B, ARG236B, ARG271B, ARG37B, ARG53B, ARG53C, ASN114C, ASN204B, ASN73C, ASP116C, ASP251B, ASP43B, CYS57B, GLN111C, GLN54B, GLN54C, GLU126C, GLU229B, GLU230B, GLU232B, GLU48B, GLU48C, GLY101C, GLY246B, GLY274B, GLY41B, GLY45B, GLY45C, GLY68C, HIS115C, HIS117C, HIS225B, HIS247B, HIS63B, HIS64B, ILE181B, ILE224B, ILE226B, ILE243B, ILE248B, ILE42B, ILE44B, LEU107C, LEU108C, LEU124C, LEU125C, LEU242B, LEU252B, LEU275B, LEU49B, LEU49C, LEU50B, LEU50C, LEU51B, LEU55B, LEU72C, PHE174B, PRO119C, PRO184B, PRO228B, PRO46B, PRO46C, SER106C, SER112C, SER120C, SER250B, SER273B, SER69C, THR104C, THR118C, THR179B, THR245B, TYR223B, VAL121C, VAL183B, VAL185B, VAL244B, VAL270B
• B-D: ALA110B, ALA113B, ALA122B, ALA177D, ALA178D, ALA227D, ALA231D, ALA249D, ALA47B, ALA47D, ALA52D, ARG105B, ARG109B, ARG123B, ARG180D, ARG235D, ARG271D, ARG37D, ARG53B, ARG53D, ASN114B, ASN73B, ASP116B, ASP251D, ASP43D, CYS57D, GLN111B, GLN54B, GLN54D, GLU126B, GLU229D, GLU230D, GLU232D, GLU48B, GLU48D, GLY101B, GLY246D, GLY274D, GLY41D, GLY45B, GLY45D, GLY68B, HIS115B, HIS117B, HIS225D, HIS247D, HIS63D, HIS64D, ILE181D, ILE224D, ILE226D, ILE243D, ILE248D, ILE42D, ILE44D, LEU107B, LEU108B, LEU124B, LEU125B, LEU242D, LEU252D, LEU275D, LEU49B, LEU49D, LEU50B, LEU50D, LEU51B, LEU51D, LEU55D, LEU72B, PHE174D, PRO119B, PRO184D, PRO228D, PRO46B, PRO46D, SER106B, SER112B, SER120B, SER250D, SER273D, SER69B, THR104B, THR118B, THR179D, THR245D, TYR223D, VAL121B, VAL183D, VAL185D, VAL244D, VAL270D
• C-D: ALA110D, ALA113D, ALA122D, ALA177C, ALA178C, ALA227C, ALA231C, ALA249C, ALA47C, ALA47D, ALA52C, ARG105D, ARG109D, ARG123D, ARG180C, ARG235C, ARG271C, ARG37C, ARG53C, ARG53D, ASN114D, ASN204C, ASN73D, ASP116D, ASP251C, ASP43C, CYS57C, GLN111D, GLN54C, GLN54D, GLU126D, GLU229C, GLU230C, GLU232C, GLU48C, GLU48D, GLY101D, GLY246C, GLY274C, GLY41C, GLY45C, GLY45D, GLY68D, HIS115D, HIS117D, HIS225C, HIS247C, HIS63C, HIS64C, ILE181C, ILE224C, ILE226C, ILE243C, ILE248C, ILE42C, ILE44C, LEU107D, LEU108D, LEU124D, LEU125D, LEU242C, LEU252C, LEU275C, LEU49C, LEU49D, LEU50C, LEU50D, LEU51C, LEU51D, LEU55C, LEU72D, PHE174C, PRO119D, PRO184C, PRO228C, PRO46C, PRO46D, SER106D, SER112D, SER120D, SER250C, SER273C, SER69D, THR104D, THR118D, THR179C, THR245C, THR71D, TYR223C, VAL121D, VAL183C, VAL185C, VAL244C, VAL270C
• C-E: ALA151C, ALA159C, ALA167C, ALA175C, ALA92E, ALA94E, ALA95E, ARG160C, ARG20E, ARG257C, ARG96E, ASP157C, ASP163C, ASP166C, ASP189C, GLN100E, GLN162C, GLN190C, GLU153C, GLU158C, GLU173C, GLU83E, GLU87E, GLY156C, GLY89E, ILE143C, ILE99E, LEU155C, LEU168C, LEU171C, LEU192C, PRO154C, PRO172C, PRO191C, PRO91E, THR147C, THR170C, THR21E, THR79E, THR93E, VAL152C, VAL253C, VAL82E, VAL86E, VAL90E
• D-F: ALA151F, ALA159F, ALA167F, ALA175F, ALA92D, ALA94D, ALA95D, ARG160F, ARG20D, ARG96D, ASP157F, ASP163F, ASP166F, ASP189F, GLN100D, GLN162F, GLU158F, GLU173F, GLU83D, GLU87D, GLY156F, GLY176F, ILE99D, LEU155F, LEU168F, LEU171F, PHE174F, PRO154F, PRO172F, PRO191F, PRO91D, THR170F, THR21D, THR79D, THR93D, VAL152F, VAL82D, VAL86D, VAL90D
• E-F: ALA110E, ALA113E, ALA122E, ALA177F, ALA178F, ALA227F, ALA231F, ALA249F, ALA47E, ALA47F, ALA52F, ARG105E, ARG109E, ARG123E, ARG180F, ARG235F, ARG236F, ARG271F, ARG37F, ARG53E, ARG53F, ASN114E, ASN204F, ASN73E, ASP116E, ASP251F, ASP43F, CYS57F, GLN111E, GLN54E, GLN54F, GLU126E, GLU229F, GLU230F, GLU232F, GLU48E, GLU48F, GLY101E, GLY246F, GLY274F, GLY41F, GLY45E, GLY45F, GLY68E, HIS115E, HIS117E, HIS225F, HIS247F, HIS63F, HIS64F, ILE181F, ILE224F, ILE226F, ILE243F, ILE248F, ILE42F, ILE44F, LEU107E, LEU108E, LEU124E, LEU125E, LEU242F, LEU252F, LEU275F, LEU49E, LEU49F, LEU50E, LEU50F, LEU51E, LEU51F, LEU55F, LEU72E, PHE174F, PRO119E, PRO184F, PRO228F, PRO46E, PRO46F, SER106E, SER112E, SER120E, SER250F, SER273F, SER69E, THR104E, THR118E, THR179F, THR245F, THR71E, TYR223F, VAL121E, VAL183F, VAL185F, VAL244F, VAL270F