3NIX

crystal structure of flavoprotein/dehydrogenase from cytophaga hutchinsonii. northeast structural genomics consortium target chr43.

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: F-H
  • Int. Res.: 50
  • Norm. En. per Res.: -2.9966
• Hub Node: A(4)

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	-27.9079	4.4697	-59.0047	-82.4429	58	3	0	3368	4	42	38
A-D	0.0	-10.587	-72.8468	-83.4338	44	5	3	3322	2	15	24
A-E	0.0	-7.0687	-53.4374	-60.5061	40	1	1	2254	0	8	13
A-H	0.0	0.0	-0.0254	-0.0254	7	0	0	13	0	6	7
B-C	-10.5318	-10.9665	-55.7882	-77.2865	39	1	1	2403	1	9	13
B-F	0.0	0.0	-0.1331	-0.1331	6	0	0	37	0	4	5
C-E	-5.032	-12.1467	-68.9077	-86.0864	59	1	0	3417	4	40	36
C-F	-4.0375	-11.9869	-79.8793	-95.9036	45	3	3	3507	2	14	23
C-G	0.0	19.35	-16.4961	2.8539	42	1	0	1260	0	37	40
D-H	0.0	5.9187	-10.1263	-4.2076	34	1	0	780	0	14	15
E-H	0.0	-12.8272	-74.5083	-87.3355	45	5	3	3819	2	17	25
F-G	0.0	-1.3904	-34.4583	-35.8487	44	3	0	2003	0	12	12
F-H	-31.1378	-62.6585	-56.0355	-149.8318	50	1	0	2644	5	34	33

Interface residues

• A-B: ALA251A, ALA254A, ALA260A, ARG184A, ARG248A, ARG250A, ARG51B, ASN255A, ASN332B, ASN389B, ASN95B, ASP239A, ASP336B, ASP387B, GLN324B, GLN343B, GLU240A, GLU246A, GLU247A, GLU256A, GLU261A, GLU271A, GLU276A, GLU313B, GLU339B, GLU54B, GLU58B, GLY243A, GLY344B, GLY96B, HIS340B, HIS55B, ILE253A, LEU321B, LYS212A, LYS264A, LYS317B, LYS320B, LYS335B, LYS388B, LYS394B, PHE238A, PHE263A, PHE337B, PHE93B, PRO245A, SER265A, SER316B, SER94B, THR242A, THR244A, THR274A, TRP386B, TYR237A, TYR241A, TYR384B, VAL385B, VAL393B
• A-D: ALA155A, ALA155D, ARG151A, ARG151D, ARG156A, ARG156D, ASP131A, ASP131D, ASP138A, ASP138D, GLU152A, GLU152D, GLU154A, GLU154D, GLY136A, GLY136D, ILE132A, ILE132D, ILE143D, ILE153A, ILE153D, LYS133A, LYS133D, LYS150A, LYS150D, LYS5A, PHE134A, PHE134D, PHE135A, PHE135D, PHE172A, PHE172D, SER139A, SER139D, THR130A, THR130D, THR137A, THR137D, THR141A, THR141D, THR142A, THR142D, VAL140A, VAL140D
• A-E: ALA279E, ALA282E, ALA64A, ALA67A, ARG118A, ARG349E, ASN224A, ASP114A, ASP175E, ASP63A, GLN119A, GLN68A, GLN71A, GLN72A, GLU115A, GLU181E, GLU234E, GLY173E, GLY179E, GLY60A, GLY69A, ILE280E, LEU174E, LEU62A, LYS176E, LYS214E, LYS284E, LYS66A, PHE180E, PHE61A, PHE70A, PRO177E, SER178E, SER182E, SER223A, SER236E, SER281E, SER283E, THR111A, VAL65A
• A-H: ARG151A, ASN147H, ASN149A, ASN149H, ASP122A, GLU124A, LYS38H
• B-C: ALA279C, ALA282C, ALA64B, ALA67B, ARG118B, ARG349C, ASN224B, ASP114B, ASP175C, ASP63B, GLN119B, GLN68B, GLN72B, GLU115B, GLU181C, GLY173C, GLY179C, GLY277C, GLY60B, GLY69B, ILE280C, LEU174C, LEU62B, LYS176C, LYS214C, LYS284C, LYS66B, PHE180C, PHE61B, PHE70B, PRO177C, SER178C, SER182C, SER223B, SER236C, SER281C, SER283C, THR111B, VAL65B
• B-F: ARG151B, ASN147F, ASN149B, GLU124B, ILE146F, LYS38F
• C-E: ALA251E, ALA254E, ALA260E, ARG184E, ARG248E, ARG250E, ARG51C, ASN255E, ASN332C, ASN389C, ASN390C, ASN95C, ASP239E, ASP336C, ASP387C, GLN324C, GLN343C, GLU240E, GLU246E, GLU247E, GLU256E, GLU261E, GLU271E, GLU276E, GLU313C, GLU339C, GLU54C, GLU58C, GLY243E, GLY344C, GLY96C, HIS340C, HIS55C, ILE253E, LEU23C, LEU321C, LYS212E, LYS264E, LYS317C, LYS320C, LYS335C, LYS388C, LYS394C, PHE238E, PHE337C, PHE93C, PRO235E, PRO245E, SER265E, SER316C, SER94C, THR242E, THR244E, THR274E, TRP386C, TYR237E, TYR241E, TYR384C, VAL385C
• C-F: ALA155C, ALA155F, ARG151C, ARG151F, ARG156C, ARG156F, ASP131C, ASP131F, ASP138C, ASP138F, GLU152C, GLU152F, GLU154C, GLU154F, GLY136C, GLY136F, ILE132C, ILE132F, ILE143C, ILE143F, ILE153C, ILE153F, LYS133C, LYS133F, LYS150C, LYS150F, LYS5C, PHE134C, PHE134F, PHE135C, PHE135F, PHE172C, PHE172F, SER139C, SER139F, THR130C, THR130F, THR137C, THR137F, THR141C, THR141F, THR142C, THR142F, VAL140C, VAL140F
• C-G: ALA113C, ALA116C, ALA117C, ALA117G, ARG118C, ARG151C, ARG151G, ASN147C, ASN147G, ASN149C, ASN149G, ASP114C, ASP114G, ASP122C, ASP122G, ASP145C, ASP145G, GLN119C, GLU115C, GLU124C, GLU124G, GLU126G, GLU4C, GLY120C, ILE143C, ILE146G, LYS150C, LYS150G, LYS30C, LYS32C, LYS32G, LYS38G, LYS5C, PHE39C, PHE39G, PRO40G, TYR125C, TYR125G, VAL121C, VAL123C, VAL123G, VAL127C
• D-H: ALA64H, ALA67H, ARG118H, ASN107H, ASN224H, ASP357D, ASP63H, GLN68H, GLU181D, GLU334D, GLU339D, GLY179D, GLY225H, GLY69H, LEU269H, LEU285D, LYS176D, LYS191H, LYS214D, LYS284D, LYS401D, LYS66H, PHE70H, PRO177D, SER178D, SER182D, SER223H, SER283D, THR353D, THR359D, TYR286D, VAL193H, VAL197H, VAL338D
• E-H: ALA155E, ALA155H, ARG151E, ARG151H, ARG156E, ARG156H, ARG3E, ASP131E, ASP131H, ASP138E, ASP138H, GLU152E, GLU152H, GLU154E, GLU154H, GLY136E, GLY136H, ILE132E, ILE132H, ILE143H, ILE153E, ILE153H, LYS133E, LYS133H, LYS150E, LYS150H, LYS5E, PHE134E, PHE134H, PHE135E, PHE135H, PHE172E, PHE172H, SER139E, SER139H, THR130E, THR130H, THR137E, THR137H, THR141E, THR141H, THR142E, THR142H, VAL140E, VAL140H
• F-G: ALA282F, ALA64G, ALA67G, ARG118G, ARG195G, ARG349F, ASN224G, ASN226G, ASP175F, ASP192G, ASP288F, ASP63G, GLN68G, GLN71G, GLN72G, GLU181F, GLU334F, GLY179F, GLY225G, GLY287F, GLY69G, LEU174F, LEU285F, LYS176F, LYS191G, LYS194G, LYS284F, LYS401F, LYS66G, PHE180F, PHE222G, PHE70G, PRO177F, PRO196G, SER178F, SER182F, SER223G, SER281F, SER283F, SER350F, THR353F, TYR286F, VAL193G, VAL197G
• F-H: ALA254H, ARG184H, ARG248H, ARG250H, ARG51F, ASN255H, ASN332F, ASN389F, ASN95F, ASP239H, ASP336F, GLN324F, GLN343F, GLU240H, GLU246H, GLU247H, GLU271H, GLU313F, GLU329F, GLU330F, GLU339F, GLU58F, GLY243H, GLY96F, HIS340F, HIS55F, LEU23F, LEU321F, LYS264H, LYS26F, LYS317F, LYS320F, LYS327F, LYS335F, LYS388F, PHE238H, PHE337F, PRO245H, PRO272H, SER236H, SER27F, SER316F, THR242H, THR244H, THR274H, TRP386F, TYR237H, TYR241H, VAL323F, VAL331F