2ARK

structure of a flavodoxin from aquifex aeolicus

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 112
  • Norm. En. per Res.: -4.7167
• Hub Node: A(5)

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	-63.756	-93.9496	-378.368	-536.0736	116	13	12	14110	5	48	33
A-C	-33.2627	-9.9707	-183.668	-226.9014	67	14	0	6950	1	21	17
A-D	-112.8813	15.8556	-255.295	-352.3207	86	12	3	8397	0	9	5
A-E	-21.0821	-25.1839	-40.5707	-86.8368	36	4	0	1812	4	21	25
A-F	0.0	0.0	-4.104	-4.104	10	0	0	192	0	1	1
B-C	-106.5949	15.2943	-249.148	-340.4486	87	10	3	8368	0	10	5
B-D	-36.0593	12.3103	-188.144	-211.893	63	9	0	6781	0	21	17
B-F	0.0	7.0781	-10.7587	-3.6806	17	0	0	539	1	18	15
C-D	-79.1935	-80.3726	-368.699	-528.2651	112	12	13	13952	7	46	34
E-F	-108.3167	15.0106	-257.047	-350.3531	84	9	3	8217	0	10	5

Interface residues

• A-B: ALA0A, ALA50A, ALA50B, ALA88A, ALA88B, ARG157A, ARG157B, ARG169B, ARG177A, ARG177B, ARG182A, ARG182B, ASN-1A, ASN-1B, ASN114A, ASN114B, ASP124A, ASP124B, ASP167A, ASP167B, ASP179A, ASP179B, ASP51A, ASP51B, ASP84A, ASP84B, CYS89A, CYS89B, GLU160A, GLU160B, GLU174A, GLU174B, GLU82A, GLU82B, GLY116A, GLY116B, GLY121A, GLY121B, GLY168A, GLY168B, GLY81A, GLY81B, GLY85A, GLY85B, HIS133A, HIS133B, ILE108A, ILE164A, ILE164B, ILE176A, ILE176B, ILE83A, ILE83B, ILE87A, ILE87B, LEU109A, LEU109B, LEU112A, LEU112B, LEU118A, LEU118B, LEU132A, LEU132B, LEU158A, LEU158B, LEU173A, LEU173B, LEU48A, LEU48B, LEU53A, LEU53B, LEU79A, LEU79B, LYS170A, LYS170B, LYS178A, LYS178B, LYS86A, LYS86B, PHE115A, PHE115B, PHE117A, PHE117B, PHE120A, PHE120B, PHE165A, PHE165B, PHE183A, PHE183B, SER-2A, SER107A, SER107B, THR110A, THR110B, THR123A, THR123B, THR131A, THR131B, TRP161A, TRP161B, TRP80A, TRP80B, TYR125A, TYR125B, TYR134A, TYR134B, VAL119A, VAL119B, VAL122A, VAL122B, VAL162A, VAL162B, VAL166A, VAL166B, VAL47A, VAL47B
• A-C: ALA104A, ALA104C, ARG11A, ARG11C, ARG70A, ARG70C, ASN101A, ASN101C, ASN114A, ASN114C, ASN60A, ASN60C, ASP73A, ASP73C, ASP74A, ASP74C, GLY100A, GLY100C, GLY62A, GLY62C, GLY77A, GLY77C, GLY98A, GLY98C, GLY99A, GLY99C, ILE108A, ILE108C, LEU109A, LEU109C, LEU112A, LEU112C, LEU63A, LEU63C, LYS67A, LYS67C, LYS69A, LYS69C, PHE115A, PHE115C, PHE71A, PHE71C, PHE72A, PHE72C, PRO58A, PRO58C, SER107A, SER107C, SER57A, SER57C, SER65A, SER65C, SER94A, SER94C, THR110A, THR110C, THR59A, THR59C, TRP66A, TRP66C, TRP80A, TRP80C, VAL103A, VAL103C, VAL64A, VAL64C, VAL75A
• A-D: ALA104A, ALA104D, ALA136A, ALA136D, ALA139A, ALA139D, ALA150A, ALA150D, ARG143A, ARG143D, ASN101A, ASN101D, ASN14A, ASN14D, ASN60A, ASN60D, CYS105A, CYS105D, GLU102A, GLU102D, GLU141A, GLU141D, GLU146A, GLU146D, GLU147A, GLU147D, GLY100A, GLY100D, GLY127A, GLY127D, GLY135A, GLY135D, GLY140A, GLY140D, GLY62A, GLY62D, GLY95A, GLY95D, GLY96A, GLY96D, GLY98A, GLY98D, GLY99A, GLY99D, HIS133A, HIS133D, LEU109A, LEU109D, LEU132A, LEU132D, LEU63A, LEU63D, LYS128A, LYS128D, LYS129A, LYS129D, PHE130A, PHE130D, SER107A, SER107D, SER93A, SER93D, SER94A, SER94D, THR123A, THR123D, THR131A, THR131D, THR59A, THR59D, TRP97A, TRP97D, TYR125A, TYR125D, TYR134A, TYR134D, VAL103A, VAL103D, VAL122A, VAL122D, VAL126A, VAL126D, VAL137A, VAL137D, VAL138A, VAL138D
• A-E: ALA0A, ALA139E, ARG143E, ARG152E, ARG169A, ARG35A, ASN-1A, ASP167A, ASP185E, GLU145E, GLU146E, GLU147E, GLU149E, GLU171A, GLU30A, GLU33A, GLY127E, GLY168A, GLY2A, GLY31A, LEU29A, LYS128E, LYS129E, LYS148E, LYS170A, LYS3A, PHE130E, PRO142E, SER-2A, SER144E, THR131E, THR32A, TRP49A, TRP97E, VAL138E, VAL34A
• A-F: ALA0A, ALA139F, ASN-1A, GLU146F, GLU147F, LYS129F, PHE130F, SER-2A, SER144F, TRP97F
• B-C: ALA104B, ALA104C, ALA136B, ALA136C, ALA139B, ALA139C, ALA150B, ALA150C, ARG11B, ARG143B, ARG143C, ASN101B, ASN101C, ASN14B, ASN14C, ASN60B, ASN60C, CYS105B, CYS105C, GLU102B, GLU102C, GLU141B, GLU141C, GLU146B, GLU146C, GLU147B, GLU147C, GLY100B, GLY100C, GLY127B, GLY127C, GLY135B, GLY135C, GLY140B, GLY140C, GLY62B, GLY62C, GLY95B, GLY95C, GLY96B, GLY96C, GLY98B, GLY98C, GLY99B, GLY99C, HIS133B, HIS133C, LEU109B, LEU109C, LEU132B, LEU132C, LEU63B, LEU63C, LYS128B, LYS128C, LYS129B, LYS129C, PHE130B, PHE130C, PRO142B, SER107B, SER107C, SER144B, SER94B, SER94C, THR123B, THR123C, THR131B, THR131C, THR59B, THR59C, TRP97B, TRP97C, TYR125B, TYR125C, TYR134B, TYR134C, VAL103B, VAL103C, VAL122B, VAL122C, VAL126B, VAL126C, VAL137B, VAL137C, VAL138B, VAL138C
• B-D: ALA104B, ALA104D, ARG11B, ARG11D, ARG70B, ARG70D, ASN101B, ASN114B, ASN114D, ASN60B, ASN60D, ASP73B, ASP73D, ASP74B, ASP74D, GLY100B, GLY100D, GLY62B, GLY62D, GLY98B, GLY98D, GLY99B, GLY99D, ILE108B, ILE108D, LEU109B, LEU109D, LEU112B, LEU112D, LEU63B, LEU63D, LYS67B, LYS67D, LYS69B, LYS69D, PHE115B, PHE115D, PHE71B, PHE71D, PHE72B, PHE72D, PRO58B, PRO58D, SER107B, SER107D, SER57B, SER57D, SER65B, SER65D, SER94B, THR110B, THR110D, THR59B, THR59D, TRP66B, TRP66D, TRP80B, TRP80D, VAL103B, VAL103D, VAL64B, VAL64D, VAL75B
• B-F: ALA0B, ARG143F, ARG152F, ARG169B, ASN-1B, ASP167B, GLU141F, GLU145F, GLU146F, GLU171B, GLU174B, GLY168B, LEU172B, LYS148F, LYS170B, LYS175B, SER144F
• C-D: ALA0D, ALA163D, ALA50C, ALA50D, ALA88C, ALA88D, ARG157C, ARG157D, ARG169D, ARG177C, ARG177D, ARG182C, ARG182D, ASN114C, ASN114D, ASP124C, ASP124D, ASP167C, ASP167D, ASP179C, ASP179D, ASP51C, ASP51D, ASP84C, ASP84D, CYS89C, CYS89D, GLU160C, GLU160D, GLU174C, GLU174D, GLU82C, GLU82D, GLY116C, GLY116D, GLY121C, GLY121D, GLY168C, GLY168D, GLY81C, GLY81D, GLY85C, GLY85D, HIS133C, HIS133D, ILE164C, ILE164D, ILE176C, ILE176D, ILE83C, ILE83D, ILE87C, ILE87D, LEU109C, LEU109D, LEU112C, LEU112D, LEU118C, LEU118D, LEU132C, LEU132D, LEU158C, LEU158D, LEU173C, LEU173D, LEU48C, LEU48D, LEU53D, LEU79C, LEU79D, LYS170C, LYS170D, LYS178C, LYS178D, LYS86C, LYS86D, PHE115C, PHE115D, PHE117C, PHE117D, PHE120C, PHE120D, PHE165C, PHE165D, PHE183C, PHE183D, SER-2D, THR110C, THR110D, THR123C, THR123D, THR131C, THR131D, TRP161C, TRP161D, TRP49C, TRP80C, TRP80D, TYR125C, TYR125D, TYR134C, TYR134D, VAL119C, VAL119D, VAL122C, VAL122D, VAL162C, VAL162D, VAL166C, VAL166D, VAL47C, VAL47D
• E-F: ALA104E, ALA104F, ALA136E, ALA136F, ALA139E, ALA139F, ALA150E, ALA150F, ARG143E, ARG143F, ASN101E, ASN101F, ASN14E, ASN14F, ASN60E, ASN60F, CYS105E, CYS105F, GLU102E, GLU102F, GLU141E, GLU141F, GLU146E, GLU146F, GLU147E, GLU147F, GLY100E, GLY100F, GLY127E, GLY127F, GLY135E, GLY135F, GLY140E, GLY140F, GLY62E, GLY62F, GLY95E, GLY95F, GLY96E, GLY96F, GLY98E, GLY98F, GLY99E, GLY99F, HIS133E, HIS133F, LEU109E, LEU109F, LEU132E, LEU132F, LEU63E, LEU63F, LYS128E, LYS128F, LYS129E, LYS129F, PHE130E, PHE130F, SER107E, SER107F, SER94E, SER94F, THR123E, THR123F, THR131E, THR131F, THR59E, THR59F, TRP97E, TRP97F, TYR125E, TYR125F, TYR134E, TYR134F, VAL103E, VAL103F, VAL122E, VAL122F, VAL126E, VAL126F, VAL137E, VAL137F, VAL138E, VAL138F