2J2F

the t199d mutant of stearoyl acyl carrier protein desaturase from ricinus communis (castor bean)

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 252
  • Norm. En. per Res.: -4.1116
• 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	0.0	6.6677	-0.015	6.6527	8	0	0	8	0	4	2
A-E	0.0	9.0645	-35.8782	-26.8137	28	0	0	1467	3	21	19
A-F	-163.7127	-28.9688	-749.71	-942.3915	245	31	4	30245	12	89	85
B-C	-221.9596	-33.0831	-781.089	-1036.1317	252	42	4	31048	12	89	86
B-D	0.0	-5.5908	-30.8735	-36.4643	32	1	0	1575	3	20	21
C-D	-27.1226	30.7763	-64.3587	-60.7051	66	3	0	3402	2	33	47
C-E	0.0	-19.7889	-40.6337	-60.4226	32	0	0	1712	5	21	22
D-E	-213.6772	-30.7292	-778.135	-1022.5415	250	39	5	30933	12	90	88
D-F	0.0	-10.601	-34.6462	-45.2472	31	1	0	1587	2	21	20
E-F	-14.4816	37.3848	-51.4626	-28.5594	61	1	0	2698	1	28	45

Interface residues

• A-B: GLN360A, GLN360B, GLU347A, GLU347B, PRO349A, PRO349B, PRO352A, PRO352B
• A-E: ARG159A, ARG163A, ARG274A, ARG359A, ARG81E, ARG86E, ASP161A, ASP358A, ASP74E, ASP77E, GLN164A, GLN79E, GLU78E, GLU82E, GLU85E, GLY158A, GLY75E, ILE216E, ILE356A, LYS167A, LYS217E, MET162A, PHE18A, PHE357A, PHE76E, SER354A, SER73E, VAL160A
• A-F: ALA107A, ALA107F, ALA127A, ALA127F, ALA133A, ALA133F, ALA138A, ALA138F, ALA141A, ALA141F, ALA72A, ALA72F, ARG122A, ARG122F, ARG137A, ARG137F, ARG145A, ARG145F, ARG159A, ARG159F, ARG163A, ARG163F, ARG180A, ARG180F, ARG22A, ARG22F, ARG231A, ARG231F, ARG274A, ARG274F, ARG359A, ARG359F, ARG81A, ARG81F, ARG84A, ARG84F, ASN116A, ASN116F, ASN144A, ASN144F, ASN151A, ASN151F, ASN183A, ASN183F, ASP119A, ASP119F, ASP123A, ASP123F, ASP148A, ASP148F, ASP161A, ASP161F, ASP178A, ASP178F, ASP228A, ASP228F, ASP272A, ASP272F, ASP66A, ASP66F, ASP70A, ASP70F, ASP74A, ASP74F, ASP77A, ASP77F, CYS61A, CYS61F, GLN112A, GLN112F, GLN164A, GLN164F, GLN170A, GLN170F, GLN27A, GLN27F, GLN63A, GLN63F, GLN65A, GLN65F, GLN79A, GLN79F, GLU106A, GLU106F, GLU124A, GLU124F, GLU142A, GLU142F, GLU143A, GLU143F, GLU166A, GLU166F, GLU182A, GLU182F, GLU23A, GLU23F, GLU59A, GLU59F, GLY126A, GLY126F, GLY158A, GLY158F, GLY174A, GLY174F, GLY176A, GLY176F, GLY273A, GLY273F, GLY75A, GLY75F, HIS232A, HIS232F, HIS268A, HIS268F, HIS30A, HIS30F, ILE103A, ILE134A, ILE134F, ILE165A, ILE165F, ILE169A, ILE169F, ILE173A, ILE173F, LEU108A, LEU108F, LEU118A, LEU118F, LEU149A, LEU149F, LEU150F, LEU154A, LEU154F, LEU156A, LEU156F, LEU172A, LEU172F, LEU269A, LEU269F, LEU55A, LEU55F, LEU68A, LEU68F, LEU83A, LEU83F, LYS152A, LYS152F, LYS167A, LYS167F, LYS41A, LYS41F, LYS56A, LYS56F, LYS60A, LYS60F, MET102A, MET102F, MET114A, MET114F, MET162A, MET162F, MET177A, MET177F, MET19A, MET19F, PHE18A, PHE18F, PHE357A, PHE357F, PHE67A, PHE67F, PHE76A, PHE76F, PRO109A, PRO109F, PRO129A, PRO129F, PRO179A, PRO179F, PRO17A, PRO20A, PRO20F, PRO57A, PRO57F, PRO64A, PRO64F, PRO69A, PRO69F, PRO71A, PRO71F, SER128A, SER128F, SER157A, SER157F, SER175A, SER175F, SER73A, SER73F, THR110A, THR110F, THR113A, THR113F, THR117A, THR117F, THR125A, THR125F, THR130A, THR130F, THR136A, THR136F, THR140A, THR140F, THR168A, THR168F, THR181A, THR181F, THR29A, THR29F, TRP135A, TRP135F, TRP139A, TRP139F, TRP62A, TRP62F, TYR111A, TYR111F, TYR153A, TYR153F, TYR155A, TYR155F, TYR171A, TYR171F, TYR271A, TYR271F, VAL160A, VAL160F, VAL26A, VAL26F, VAL28A, VAL28F, VAL58A, VAL58F, VAL80A, VAL80F
• B-C: ALA107B, ALA107C, ALA127B, ALA127C, ALA133B, ALA133C, ALA138B, ALA138C, ALA141B, ALA141C, ALA72B, ALA72C, ARG122B, ARG122C, ARG137B, ARG137C, ARG145B, ARG145C, ARG159B, ARG159C, ARG163B, ARG163C, ARG180B, ARG180C, ARG22B, ARG22C, ARG231B, ARG231C, ARG274B, ARG274C, ARG359B, ARG359C, ARG81B, ARG81C, ARG84B, ARG84C, ASN116B, ASN116C, ASN144B, ASN144C, ASN151B, ASN151C, ASN183B, ASN183C, ASP119B, ASP119C, ASP123B, ASP123C, ASP148B, ASP148C, ASP161B, ASP161C, ASP178B, ASP178C, ASP228B, ASP228C, ASP272B, ASP272C, ASP66B, ASP66C, ASP70B, ASP70C, ASP74B, ASP74C, ASP77B, ASP77C, CYS61B, CYS61C, GLN112B, GLN112C, GLN164B, GLN164C, GLN170B, GLN170C, GLN27B, GLN27C, GLN63B, GLN63C, GLN65B, GLN65C, GLN79B, GLN79C, GLU106B, GLU106C, GLU124B, GLU124C, GLU142B, GLU142C, GLU143B, GLU143C, GLU166B, GLU166C, GLU182B, GLU182C, GLU23B, GLU23C, GLU59B, GLU59C, GLY126B, GLY126C, GLY147B, GLY147C, GLY158B, GLY158C, GLY174B, GLY174C, GLY176B, GLY176C, GLY273B, GLY273C, GLY75B, GLY75C, HIS146B, HIS232B, HIS232C, HIS268B, HIS268C, HIS30B, HIS30C, ILE103B, ILE103C, ILE134B, ILE134C, ILE165B, ILE165C, ILE169B, ILE169C, ILE173B, ILE173C, LEU108B, LEU108C, LEU115B, LEU115C, LEU118B, LEU118C, LEU149B, LEU149C, LEU150B, LEU150C, LEU154B, LEU154C, LEU156B, LEU156C, LEU172B, LEU172C, LEU269B, LEU269C, LEU55B, LEU55C, LEU68B, LEU68C, LEU83B, LEU83C, LYS152B, LYS152C, LYS167B, LYS167C, LYS41B, LYS41C, LYS56B, LYS56C, LYS60B, LYS60C, MET102B, MET102C, MET114B, MET114C, MET162B, MET162C, MET177B, MET177C, MET19B, MET19C, PHE18B, PHE18C, PHE357B, PHE357C, PHE67B, PHE67C, PHE76B, PHE76C, PRO109B, PRO109C, PRO129B, PRO129C, PRO179B, PRO179C, PRO17B, PRO20B, PRO20C, PRO57B, PRO57C, PRO64B, PRO64C, PRO69B, PRO69C, PRO71B, PRO71C, SER128B, SER128C, SER157B, SER157C, SER175B, SER175C, SER73B, SER73C, THR110B, THR110C, THR113B, THR113C, THR117B, THR117C, THR125B, THR125C, THR130B, THR130C, THR136B, THR136C, THR140B, THR140C, THR168B, THR168C, THR181B, THR181C, THR29B, THR29C, TRP135B, TRP135C, TRP139B, TRP139C, TRP62B, TRP62C, TYR111B, TYR111C, TYR153B, TYR153C, TYR155B, TYR155C, TYR171B, TYR171C, TYR271B, TYR271C, VAL160B, VAL160C, VAL26B, VAL26C, VAL28B, VAL28C, VAL58B, VAL58C, VAL80B, VAL80C
• B-D: ARG159B, ARG163B, ARG274B, ARG359B, ARG81D, ARG86D, ASP161B, ASP358B, ASP74D, ASP77D, GLN164B, GLN220D, GLN79D, GLU78D, GLU82D, GLU85D, GLY158B, GLY75D, ILE216D, ILE356B, LYS167B, LYS217D, MET162B, PHE18B, PHE353B, PHE357B, PHE76D, PRO352B, SER354B, SER73D, TRP355B, VAL160B
• C-D: ALA219C, ALA227C, ALA227D, ALA72C, ALA72D, ARG145D, ARG231C, ARG231D, ARG86C, ARG86D, ASP215C, ASP215D, ASP66C, ASP66D, ASP70C, ASP70D, ASP74C, ASP74D, CYS61C, CYS61D, GLN220C, GLN220D, GLN63C, GLN63D, GLN65C, GLN65D, GLN79C, GLN79D, GLU212C, GLU212D, GLU59C, GLU59D, GLU82C, GLU82D, GLU85C, GLU89C, GLU89D, GLY214C, GLY214D, GLY75C, GLY75D, HIS213C, HIS213D, ILE216C, ILE216D, LYS211C, LYS211D, LYS217C, LYS217D, LYS56C, LYS56D, LYS60C, LYS60D, PHE67C, PHE67D, PHE76C, PHE76D, PRO57D, PRO71C, PRO71D, SER73C, SER73D, THR224C, THR224D, TRP62C, TRP62D
• C-E: ARG159E, ARG163E, ARG274E, ARG359E, ARG81C, ARG86C, ASP161E, ASP358E, ASP74C, ASP77C, GLN164E, GLN79C, GLU78C, GLU82C, GLU85C, GLU89C, GLY158E, GLY75C, ILE216C, ILE356E, LYS167E, LYS217C, MET162E, PHE18E, PHE353E, PHE357E, PHE76C, PRO352E, SER354E, SER73C, TRP355E, VAL160E
• D-E: ALA107D, ALA107E, ALA127D, ALA127E, ALA133D, ALA133E, ALA138D, ALA138E, ALA141D, ALA141E, ALA72D, ALA72E, ARG122D, ARG122E, ARG137D, ARG137E, ARG145D, ARG145E, ARG159D, ARG159E, ARG163D, ARG163E, ARG180D, ARG180E, ARG22D, ARG22E, ARG231D, ARG231E, ARG274D, ARG274E, ARG359D, ARG359E, ARG81D, ARG81E, ARG84D, ARG84E, ASN116D, ASN116E, ASN144D, ASN144E, ASN151D, ASN151E, ASN183D, ASN183E, ASP119D, ASP119E, ASP123D, ASP123E, ASP148D, ASP148E, ASP161D, ASP161E, ASP178D, ASP178E, ASP228D, ASP228E, ASP272D, ASP272E, ASP66D, ASP66E, ASP70D, ASP70E, ASP74D, ASP74E, ASP77D, ASP77E, CYS61D, CYS61E, GLN112D, GLN112E, GLN164D, GLN164E, GLN170D, GLN170E, GLN27D, GLN27E, GLN63D, GLN63E, GLN65D, GLN65E, GLN79D, GLN79E, GLU106D, GLU106E, GLU124D, GLU124E, GLU142D, GLU142E, GLU143D, GLU143E, GLU166D, GLU166E, GLU182D, GLU182E, GLU23D, GLU23E, GLU59D, GLU59E, GLY126D, GLY126E, GLY147D, GLY158D, GLY158E, GLY174D, GLY174E, GLY176D, GLY176E, GLY273D, GLY273E, GLY75D, GLY75E, HIS232D, HIS232E, HIS25D, HIS268D, HIS268E, HIS30D, HIS30E, ILE103D, ILE103E, ILE134D, ILE134E, ILE165D, ILE165E, ILE169D, ILE169E, ILE173D, ILE173E, LEU108D, LEU108E, LEU115D, LEU115E, LEU118D, LEU118E, LEU149D, LEU149E, LEU154D, LEU154E, LEU156D, LEU156E, LEU172D, LEU172E, LEU269D, LEU269E, LEU55D, LEU55E, LEU68D, LEU68E, LEU83D, LEU83E, LYS152D, LYS152E, LYS167D, LYS167E, LYS41D, LYS41E, LYS56D, LYS56E, LYS60D, LYS60E, MET102D, MET102E, MET114D, MET114E, MET162D, MET162E, MET177D, MET177E, MET19D, MET19E, PHE18D, PHE18E, PHE357D, PHE357E, PHE67D, PHE67E, PHE76D, PHE76E, PRO109D, PRO109E, PRO129D, PRO129E, PRO179D, PRO179E, PRO17D, PRO17E, PRO20D, PRO20E, PRO57D, PRO57E, PRO64D, PRO64E, PRO69D, PRO69E, PRO71D, PRO71E, SER128D, SER128E, SER157D, SER157E, SER175D, SER175E, SER73D, SER73E, THR110D, THR110E, THR113D, THR113E, THR117D, THR117E, THR125D, THR125E, THR130D, THR130E, THR136D, THR136E, THR140D, THR140E, THR168D, THR168E, THR181D, THR181E, THR29D, THR29E, TRP135D, TRP135E, TRP139D, TRP139E, TRP62D, TRP62E, TYR111D, TYR111E, TYR153D, TYR153E, TYR155D, TYR155E, TYR171D, TYR171E, TYR271D, TYR271E, VAL160D, VAL160E, VAL26D, VAL26E, VAL28D, VAL28E, VAL58D, VAL58E, VAL80D, VAL80E
• D-F: ARG159D, ARG163D, ARG274D, ARG359D, ARG81F, ARG86F, ASP161D, ASP358D, ASP74F, ASP77F, GLN164D, GLN79F, GLU78F, GLU82F, GLU85F, GLY158D, GLY75F, ILE216F, ILE356D, LYS167D, LYS217F, MET162D, PHE18D, PHE353D, PHE357D, PHE76F, PRO352D, SER354D, SER73F, TRP355D, VAL160D
• E-F: ALA227E, ALA227F, ALA72E, ALA72F, ARG86E, ARG86F, ASP215E, ASP215F, ASP66E, ASP66F, ASP70E, ASP70F, ASP74E, ASP74F, CYS61E, CYS61F, GLN220E, GLN220F, GLN63E, GLN63F, GLN65E, GLN65F, GLN79E, GLN79F, GLU212E, GLU212F, GLU59E, GLU59F, GLU82E, GLU82F, GLU85E, GLU89E, GLU89F, GLY214E, GLY214F, GLY75E, GLY75F, HIS213E, HIS213F, ILE216E, ILE216F, LYS211E, LYS211F, LYS217E, LYS217F, LYS56E, LYS56F, LYS60E, LYS60F, PHE67E, PHE67F, PHE76E, PHE76F, PRO71E, PRO71F, SER73E, SER73F, THR224E, THR224F, TRP62E, TRP62F