3F51

crystal structure of the clp gene regulator clgr from corynebacterium glutamicum

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 80
  • Norm. En. per Res.: -4.7905
• 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	0.0	10.452	-115.948	-105.4959	61	0	9	4819	0	5	10
A-C	0.0	37.5278	-30.0574	7.4704	26	0	2	1203	0	5	5
A-D	0.0	0.0	-0.9741	-0.9741	15	0	0	146	0	6	8
A-E	-72.8739	-58.2677	-212.505	-343.6467	80	24	19	9096	7	14	11
A-F	-11.2933	26.6674	-33.0579	-17.6838	25	1	2	1335	0	5	5
B-C	-40.7938	-43.7399	-182.298	-266.8317	72	18	19	8205	4	13	10
B-E	0.0	0.0	-0.0232	-0.0232	6	0	0	18	0	2	2
B-F	0.0	7.1833	-39.574	-32.3907	22	0	0	1389	0	4	4
C-E	0.0	1.8428	-6.3836	-4.5407	22	0	0	516	0	9	11
D-E	0.0	0.0	-0.0121	-0.0121	5	0	0	9	0	2	2
D-F	-73.2172	-73.1237	-236.902	-383.2429	80	15	18	9357	9	13	10
E-F	0.0	10.2705	-133.936	-123.6655	64	2	9	5529	0	8	13

Interface residues

• A-B: ALA100A, ALA100B, ALA105A, ALA105B, ALA32A, ALA85A, ALA85B, ALA91A, ALA91B, ALA92A, ALA92B, ALA96A, ALA96B, ALA99A, ALA99B, ARG106A, ARG106B, ASP103A, ASP103B, ASP39A, ASP86A, ASP86B, GLN101A, GLN101B, GLN98A, GLN98B, GLU102A, GLU102B, GLU109B, GLU22B, GLU90A, GLU90B, GLY93A, GLY93B, HIS112A, ILE89A, ILE89B, LEU104A, LEU104B, LEU108A, LEU108B, LEU88A, LEU88B, LEU97A, LEU97B, MET95A, MET95B, PHE36A, PRO21B, SER111A, SER111B, SER35A, SER83A, SER94A, SER94B, TRP110A, TRP110B, VAL107A, VAL107B, VAL84A, VAL87A
• A-C: ALA100A, ALA82C, ALA85C, ALA91C, ALA92C, ALA96C, ALA99A, ARG106A, ASP103A, ASP86C, GLU90C, GLY93C, ILE89C, LEU104A, LEU108A, LEU88C, LEU97C, LYS40C, PRO21A, SER111A, SER83C, SER94C, TRP110A, VAL107A, VAL84C, VAL87C
• A-D: ALA50A, ALA79A, ALA82D, ARG52A, ASP39D, ASP86D, GLU49A, GLY41D, GLY81A, GLY81D, HIS78A, HIS78D, LEU80A, LYS40D, SER83D
• A-E: ALA20E, ALA28A, ALA28E, ALA74A, ALA74E, ALA82A, ALA82E, ALA85A, ALA85E, ALA91A, ALA91E, ALA92A, ALA92E, ALA96A, ALA96E, ALA99A, ALA99E, ARG26A, ARG26E, ASP86A, ASP86E, CYS77A, CYS77E, GLU22A, GLU22E, GLU27A, GLU27E, GLU67A, GLU67E, GLU71A, GLU71E, GLU90A, GLU90E, GLY30A, GLY64A, GLY64E, GLY93A, GLY93E, HIS78A, HIS78E, ILE89A, ILE89E, LEU24A, LEU24E, LEU25A, LEU25E, LEU29A, LEU29E, LEU33E, LEU72A, LEU72E, LEU73A, LEU73E, LEU88A, LEU88E, LEU97A, LEU97E, LYS66A, LYS66E, MET95A, MET95E, PRO21A, PRO23A, PRO23E, SER69A, SER69E, SER70A, SER70E, SER75A, SER75E, SER83A, SER83E, SER94A, SER94E, VAL68A, VAL68E, VAL84A, VAL84E, VAL87A, VAL87E
• A-F: ALA100F, ALA82A, ALA85A, ALA91A, ALA92A, ALA96A, ALA99F, ARG106F, ASP103F, ASP86A, GLU90A, GLY81A, GLY93A, ILE89A, LEU104F, LEU108F, LEU88A, LEU97A, SER111F, SER83A, SER94A, TRP110F, VAL107F, VAL84A, VAL87A
• B-C: ALA20B, ALA28B, ALA28C, ALA74B, ALA74C, ALA82C, ALA85B, ALA85C, ALA91B, ALA91C, ALA92B, ALA92C, ALA96B, ALA96C, ALA99B, ARG26B, ARG26C, ASP86B, ASP86C, CYS77C, GLU22B, GLU27B, GLU27C, GLU67B, GLU67C, GLU71B, GLU71C, GLU90B, GLU90C, GLY64B, GLY93B, GLY93C, HIS78B, HIS78C, ILE89B, ILE89C, LEU24B, LEU24C, LEU25B, LEU25C, LEU29B, LEU29C, LEU72B, LEU72C, LEU73B, LEU73C, LEU88B, LEU88C, LEU97B, LEU97C, LYS66B, LYS66C, MET95B, MET95C, PRO23B, PRO23C, SER69B, SER69C, SER70B, SER70C, SER75B, SER75C, SER83B, SER83C, SER94B, SER94C, VAL68B, VAL68C, VAL84B, VAL84C, VAL87B, VAL87C
• B-E: ALA92E, ALA96E, ARG106B, ASP86E, ILE89E, TRP110B
• B-F: ALA105B, ALA105F, ARG106B, ARG106F, ASP103B, ASP103F, GLU102B, GLU102F, GLU109B, GLU109F, HIS112F, LEU104F, LEU108B, LEU108F, LYS19B, PRO113F, SER111B, SER111F, TRP110B, TRP110F, VAL107B, VAL107F
• C-E: ALA50C, ALA79C, ALA79E, ALA82E, ARG52C, ASP39E, ASP86E, GLU46C, GLU49C, GLY41E, GLY81C, GLY81E, HIS78C, HIS78E, LEU80C, LEU80E, LYS40C, LYS40E, PHE36E, SER83E, VAL42C, VAL42E
• D-E: ALA92D, ALA96D, ARG106E, ILE89D, TRP110E
• D-F: ALA20D, ALA28D, ALA28F, ALA32D, ALA74D, ALA74F, ALA82D, ALA82F, ALA85D, ALA85F, ALA91D, ALA91F, ALA92D, ALA92F, ALA96D, ALA96F, ALA99D, ALA99F, ARG26D, ARG26F, ASP86D, ASP86F, CYS77D, CYS77F, GLU22D, GLU22F, GLU27D, GLU27F, GLU67D, GLU67F, GLU71D, GLU71F, GLU90D, GLU90F, GLY64D, GLY64F, GLY93D, GLY93F, HIS78D, HIS78F, ILE89D, ILE89F, LEU24D, LEU24F, LEU25D, LEU25F, LEU29D, LEU29F, LEU72D, LEU72F, LEU73D, LEU73F, LEU88D, LEU88F, LEU97D, LEU97F, LYS66D, LYS66F, MET95D, MET95F, PRO21D, PRO21F, PRO23D, PRO23F, SER69D, SER69F, SER70D, SER70F, SER75D, SER75F, SER83D, SER83F, SER94D, SER94F, VAL68D, VAL68F, VAL84D, VAL84F, VAL87D, VAL87F
• E-F: ALA100E, ALA100F, ALA105E, ALA105F, ALA32F, ALA38F, ALA82F, ALA85E, ALA85F, ALA91E, ALA91F, ALA92E, ALA92F, ALA96E, ALA96F, ALA99E, ALA99F, ARG106E, ARG106F, ASP103E, ASP103F, ASP39F, ASP86E, ASP86F, GLN101E, GLN101F, GLN98E, GLN98F, GLU102E, GLU102F, GLU22E, GLU90E, GLU90F, GLY93E, GLY93F, HIS112E, HIS112F, ILE89E, ILE89F, LEU104E, LEU104F, LEU108E, LEU108F, LEU88E, LEU88F, LEU97E, LEU97F, LYS40F, MET95E, MET95F, PHE36F, PRO21E, SER111E, SER111F, SER35F, SER83F, SER94E, SER94F, TRP110E, TRP110F, VAL107E, VAL107F, VAL84F, VAL87F