3PU2

crystal structure of the q3j4m4_rhos4 protein from rhodobacter sphaeroides. northeast structural genomics consortium target rhr263.

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 39
  • Norm. En. per Res.: -2.95
• 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-C	0.0	-15.8824	-47.2738	-63.1561	33	0	0	1935	0	12	14
A-D	0.0	4.2227	-73.9668	-69.7441	70	2	14	4240	0	6	2
A-F	0.0	10.0035	-13.4213	-3.4178	27	2	0	945	0	4	5
A-H	-16.2802	16.0209	-104.792	-105.0513	82	11	3	6258	2	27	32
B-C	0.0	6.58	-70.1424	-63.5624	75	5	15	4272	0	6	3
B-D	0.0	0.0	-0.5635	-0.5635	4	0	0	78	0	3	3
B-E	-39.8063	-59.9132	-119.322	-219.0415	80	16	7	6855	4	35	30
B-G	0.0	11.7459	-27.9629	-16.217	25	0	0	1211	0	14	15
C-D	-16.9409	-40.8715	-57.2369	-115.0493	39	2	0	2645	1	14	14
C-F	-13.0011	-28.1726	-127.326	-168.4997	85	11	3	6770	2	30	33
C-G	0.0	0.0	-0.9861	-0.9861	4	0	0	87	0	2	1
D-G	-16.3913	-8.4902	-124.465	-149.3464	86	5	3	6668	3	31	32
E-G	0.0	0.0	-0.0213	-0.0213	2	0	0	15	0	6	4

Interface residues

• A-C: ALA138C, ALA142C, ALA145C, ALA147C, ALA148A, ALA148C, ALA150A, ALA150C, ALA56A, ARG143C, ARG57A, ARG84A, ARG86A, ASP110C, ASP144C, GLU109C, GLU141C, GLU154A, GLU82A, GLY114C, GLY58A, GLY80A, GLY83A, LEU27C, PRO140C, PRO81A, SER149A, SER149C, THR139C, THR153A, TRP59A, TYR137C, VAL146C
• A-D: ALA167A, ALA167D, ALA168A, ALA168D, ALA42A, ALA42D, ALA43A, ALA43D, ALA48A, ALA48D, ALA52A, ALA52D, ALA56A, ALA56D, ARG57A, ARG57D, ARG84A, ARG84D, ASP163A, ASP163D, GLN39A, GLN39D, GLU38D, GLU63D, GLU82A, GLU82D, GLY58A, GLY58D, GLY80A, GLY80D, GLY83A, GLY83D, HIS161A, HIS161D, LEU162A, LEU162D, LEU166A, LEU166D, LEU169A, LEU169D, LEU49A, LEU49D, LEU50A, LEU50D, PHE55A, PHE55D, PRO47A, PRO47D, PRO51A, PRO51D, PRO60A, PRO60D, PRO81A, PRO81D, SER46A, SER46D, THR45D, THR62A, THR62D, THR79A, THR79D, THR85D, TRP53A, TRP53D, TRP59A, TRP59D, TRP78A, TRP78D, VAL164A, VAL164D
• A-F: ALA142A, ALA145A, ALA147A, ALA148A, ALA150A, ALA35F, ARG143A, ASP144A, GLU126F, GLU141A, GLU38F, GLY113A, GLY127F, GLY128F, HIS99F, LEU123F, PRO124F, PRO37F, PRO98F, SER149A, THR112A, THR129F, THR139A, THR153A, THR36F, VAL125F, VAL146A
• A-H: ALA132H, ALA134A, ALA134H, ALA138A, ALA138H, ALA142A, ALA142H, ALA24A, ALA24H, ALA95H, ARG100A, ARG100H, ARG143A, ARG26A, ARG26H, ARG30A, ARG30H, ARG91A, ARG91H, ASP136A, ASP136H, GLN121A, GLN121H, GLU105A, GLU105H, GLU115A, GLU115H, GLU141A, GLU28A, GLU28H, GLU96A, GLU96H, GLY113A, GLY114A, GLY22A, GLY22H, GLY71A, GLY90A, GLY90H, HIS103A, HIS103H, HIS99A, HIS99H, ILE102A, ILE102H, ILE93A, ILE93H, LEU106A, LEU106H, LEU117A, LEU117H, LEU122H, LEU123A, LEU123H, LEU94A, LEU94H, LYS70A, LYS70H, PRO124H, PRO140A, PRO140H, PRO21A, PRO21H, SER104A, SER104H, SER23A, SER23H, THR116A, THR116H, THR119A, THR119H, THR139A, THR139H, THR25A, THR25H, TYR137A, TYR137H, VAL118A, VAL118H, VAL135A, VAL92A, VAL92H
• B-C: ALA167B, ALA167C, ALA168B, ALA168C, ALA42B, ALA42C, ALA43B, ALA43C, ALA48B, ALA48C, ALA52B, ALA52C, ALA56B, ALA56C, ARG160B, ARG57B, ARG57C, ARG84B, ARG84C, ASP163B, ASP163C, GLN39B, GLN39C, GLU170C, GLU38B, GLU38C, GLU63C, GLU82B, GLU82C, GLY58B, GLY58C, GLY80B, GLY80C, GLY83B, GLY83C, HIS161B, HIS161C, LEU162B, LEU162C, LEU166B, LEU166C, LEU169B, LEU169C, LEU49B, LEU49C, LEU50B, LEU50C, PHE55B, PHE55C, PRO47B, PRO47C, PRO51B, PRO51C, PRO60B, PRO60C, PRO81B, PRO81C, SER46B, SER46C, THR36B, THR45B, THR45C, THR62B, THR62C, THR79B, THR79C, TRP41B, TRP53B, TRP53C, TRP59B, TRP59C, TRP78B, TRP78C, VAL164B, VAL164C
• B-D: ARG91D, GLU82B, GLY83B, PRO81B
• B-E: ALA132E, ALA134B, ALA134E, ALA138B, ALA138E, ALA142B, ALA142E, ALA24B, ALA24E, ALA95E, ARG100B, ARG100E, ARG143B, ARG143E, ARG26B, ARG26E, ARG30E, ARG91B, ARG91E, ASP136B, ASP136E, GLN121B, GLN121E, GLU105B, GLU115B, GLU115E, GLU141B, GLU28B, GLU28E, GLU96B, GLU96E, GLY113B, GLY114B, GLY114E, GLY22E, GLY71B, GLY90B, HIS103B, HIS103E, HIS99B, HIS99E, ILE102B, ILE102E, ILE93B, ILE93E, LEU106B, LEU106E, LEU117B, LEU117E, LEU122E, LEU123E, LEU94B, LEU94E, LYS70B, LYS70E, PRO124E, PRO140B, PRO140E, PRO97E, PRO98E, SER104B, SER104E, SER23B, SER23E, THR116B, THR116E, THR119B, THR119E, THR139B, THR139E, THR25B, THR25E, THR89B, TYR137B, TYR137E, VAL118B, VAL118E, VAL135B, VAL135E, VAL92B
• B-G: ALA95G, ARG75B, ARG84B, ARG86B, ASP108B, ASP110B, GLU109B, GLU67G, GLU82B, GLY71G, GLY72G, GLY83B, HIS69G, LEU94G, LYS70G, PHE66G, PRO47G, PRO68G, PRO81B, PRO97G, SER46G, THR79B, THR85B, TRP41G, TRP59B
• C-D: ALA147C, ALA150C, ARG57C, ARG75D, ARG84C, ARG84D, ARG86C, ARG91D, ASP108D, GLU105D, GLU109D, GLU115D, GLU63D, GLU82C, GLU82D, GLY71D, GLY72D, GLY80C, GLY83C, GLY83D, GLY90D, ILE74D, ILE93D, LEU106D, LEU73D, LEU88D, PRO81C, PRO81D, SER104D, SER149C, THR79D, THR85C, THR85D, THR89D, TRP59C, TYR107D, VAL65D, VAL77D, VAL92D
• C-F: ALA132C, ALA132F, ALA134C, ALA134F, ALA138C, ALA138F, ALA142C, ALA142F, ALA24C, ALA24F, ALA95C, ALA95F, ARG100C, ARG100F, ARG143C, ARG26C, ARG26F, ARG30C, ARG30F, ARG91C, ARG91F, ASP136C, ASP136F, GLN121C, GLN121F, GLU105C, GLU105F, GLU115C, GLU115F, GLU141C, GLU28C, GLU28F, GLU96C, GLU96F, GLY114C, GLY22C, GLY22F, GLY71C, GLY71F, GLY90C, GLY90F, HIS103C, HIS103F, HIS99C, HIS99F, ILE102C, ILE102F, ILE93C, ILE93F, LEU106C, LEU106F, LEU117C, LEU117F, LEU122F, LEU123C, LEU123F, LEU94C, LEU94F, LYS70C, LYS70F, PRO124F, PRO140C, PRO140F, PRO21C, PRO21F, SER104C, SER104F, SER23C, SER23F, THR116C, THR116F, THR119C, THR119F, THR139C, THR139F, THR25C, THR25F, TYR137C, TYR137F, VAL118C, VAL118F, VAL135C, VAL135F, VAL92C, VAL92F
• C-G: GLU82C, GLY83C, LYS70G, PRO81C
• D-G: ALA132D, ALA132G, ALA134D, ALA134G, ALA138D, ALA138G, ALA142D, ALA142G, ALA24D, ALA24G, ALA95D, ALA95G, ARG100D, ARG100G, ARG143D, ARG143G, ARG26D, ARG26G, ARG30D, ARG30G, ARG91D, ARG91G, ASP136D, ASP136G, GLN121D, GLN121G, GLU105D, GLU105G, GLU115D, GLU115G, GLU28D, GLU28G, GLU96D, GLU96G, GLY114G, GLY22D, GLY22G, GLY71D, GLY71G, GLY90D, GLY90G, HIS103D, HIS103G, HIS99D, HIS99G, ILE102D, ILE102G, ILE93D, ILE93G, LEU106D, LEU106G, LEU117D, LEU117G, LEU122G, LEU123D, LEU123G, LEU94D, LEU94G, LYS70D, LYS70G, PRO124D, PRO124G, PRO140D, PRO140G, PRO21D, PRO21G, SER104D, SER104G, SER23D, SER23G, THR116D, THR116G, THR119D, THR119G, THR139D, THR139G, THR25D, THR25G, TYR137D, TYR137G, VAL118D, VAL118G, VAL135D, VAL135G, VAL92D, VAL92G
• E-G: HIS171G, PRO97E