3NOB

structure of k11-linked di-ubiquitin

• Total interactions analyzed: 28
• Total true interactions: 18
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 25
  • Norm. En. per Res.: -6.9648
• Hub Node: A(6)

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	-38.047	-6.9122	-148.175	-193.1341	59	16	3	7725	0	11	18
A-C	-6.6069	7.3774	-56.0872	-55.3167	35	1	3	2607	0	3	10
A-D	0.0	0.0	-3.297	-3.297	13	0	0	245	0	2	3
A-E	-4.4635	9.779	-55.8698	-50.5543	34	0	0	2144	0	28	27
A-F	-44.2036	0.8637	-130.781	-174.121	25	6	0	3677	2	10	9
A-H	0.0	0.0	-0.1958	-0.1958	4	0	0	34	0	0	1
B-C	0.0	0.0	-23.2401	-23.2401	18	1	0	1128	0	2	2
B-E	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	1
B-F	-4.7824	24.2206	-63.7954	-44.3572	35	0	0	2427	0	24	27
B-G	0.0	0.0	-0.0138	-0.0138	2	0	0	4	0	0	0
C-D	-26.6145	13.9524	-168.181	-180.8431	58	23	8	9233	0	9	17
C-F	0.0	0.0	-0.0007	-0.0007	2	0	0	2	0	0	1
C-H	0.0	39.9762	-9.9666	30.0096	13	0	0	277	2	6	8
E-F	-55.0039	2.0561	-100.887	-153.8347	61	28	5	8507	0	11	19
E-H	-4.9639	1.2227	-34.8933	-38.6345	28	0	0	1718	0	4	5
F-G	0.0	0.0	-5.4908	-5.4908	19	0	0	570	0	5	7
F-H	0.0	0.0	-16.3608	-16.3608	26	0	0	1064	0	0	10
G-H	-49.2273	5.6871	-154.604	-198.1441	61	35	10	9922	1	12	21

Interface residues

• A-B: ARG42A, ARG42B, ARG72A, ARG72B, ARG74A, ARG74B, ASP32A, ASP32B, ASP39A, ASP39B, GLN31A, GLN31B, GLN40A, GLN40B, GLN41A, GLN41B, GLU34A, GLU34B, GLY10A, GLY10B, GLY35A, GLY35B, GLY75A, HIS68B, ILE13A, ILE13B, ILE30A, ILE30B, ILE36A, ILE36B, ILE44A, ILE44B, LEU69A, LEU69B, LEU71A, LEU71B, LEU73A, LEU73B, LEU8A, LEU8B, LYS11A, LYS11B, LYS33A, LYS33B, LYS6A, LYS6B, PRO37A, PRO37B, THR12A, THR12B, THR14A, THR7A, THR7B, THR9A, THR9B, VAL5A, VAL5B, VAL70A, VAL70B
• A-C: ALA46A, ALA46C, ARG42A, ARG72A, ASN60A, ASN60C, GLN49A, GLN49C, GLN62C, GLY10C, GLY47A, GLY47C, HIS68A, HIS68C, ILE44A, ILE44C, ILE61C, LEU43A, LEU50A, LEU67C, LEU69C, LEU8A, LEU8C, LYS48A, LYS48C, LYS6C, PHE45A, PHE45C, SER65C, THR66C, THR7C, THR9C, TYR59A, VAL70A, VAL70C
• A-D: ALA46A, ARG54A, ASN60A, GLN62A, GLY47A, GLY47D, ILE44D, LEU8D, LYS48A, LYS48D, LYS6D, TYR59A, VAL70D
• A-E: ALA28A, ALA28E, ARG54A, ARG72A, ARG74A, ASP32E, ASP39A, ASP52A, GLN31A, GLN31E, GLN40A, GLN41A, GLN49A, GLU16E, GLU24A, GLU34E, GLU51A, GLY35E, GLY53A, GLY75A, HIS0E, ILE13E, ILE30E, ILE36E, LEU15E, LYS11E, LYS27A, LYS29E, LYS33E, PRO37A, PRO37E, PRO38A, THR14E, THR22A
• A-F: ARG42A, ARG42F, ARG72A, ARG72F, ARG74A, ARG74F, ASP39A, ASP39F, GLN40A, GLN40F, GLN41A, GLN41F, GLN49F, GLY75A, GLY75F, GLY76F, ILE36A, LEU71A, LEU71F, LEU73A, LEU73F, PRO37A, PRO37F, PRO38A, PRO38F
• A-H: ALA46H, GLY47H, GLY75A, LYS48H
• B-C: ALA46C, ASN60C, ASP58C, GLN62C, GLY10B, HIS68B, ILE61C, LEU56C, LEU8B, LYS11B, LYS48C, LYS6B, PHE45C, SER57C, THR12B, THR7B, THR9B, TYR59C
• B-E: GLY35B, GLY35E
• B-F: ALA28B, ALA28F, ARG54F, ARG72F, ARG74F, ASP32B, ASP39F, ASP52F, GLN2B, GLN31B, GLN31F, GLN40F, GLN41F, GLU16B, GLU24F, GLU34B, GLU51F, GLY35B, GLY53F, GLY75F, ILE13B, ILE30B, ILE36B, LEU15B, LEU50F, LYS11B, LYS27F, LYS29B, LYS33B, PRO37B, PRO37F, PRO38F, THR14B, THR22F, VAL17B
• B-G: GLN2B, LYS6G
• C-D: ARG42C, ARG42D, ARG72C, ARG72D, ARG74C, ARG74D, GLN31C, GLN31D, GLN40C, GLN40D, GLN41C, GLN41D, GLN49C, GLN49D, GLU34C, GLU34D, GLY10C, GLY10D, GLY35C, GLY35D, HIS68C, HIS68D, ILE13C, ILE13D, ILE30C, ILE30D, ILE36C, ILE36D, ILE44C, ILE44D, LEU43C, LEU43D, LEU69C, LEU69D, LEU71C, LEU71D, LEU73C, LEU73D, LEU8C, LEU8D, LYS11C, LYS11D, LYS33C, LYS33D, LYS6C, LYS6D, PRO37C, PRO37D, THR12C, THR12D, THR7C, THR7D, THR9C, THR9D, VAL5C, VAL5D, VAL70C, VAL70D
• C-F: GLY75F, LYS48C
• C-H: ARG54C, ARG54H, ARG72C, ASP52C, GLN49C, GLN49H, GLU51C, GLU51H, LEU50C, LYS48C, LYS48H, TYR59C, TYR59H
• E-F: ARG42E, ARG42F, ARG72E, ARG72F, ARG74E, ARG74F, ASP32E, ASP39E, ASP39F, GLN31E, GLN31F, GLN40E, GLN40F, GLN41E, GLN41F, GLN49E, GLN49F, GLU34E, GLU34F, GLY10E, GLY10F, GLY35E, GLY35F, GLY75F, GLY76F, HIS68E, HIS68F, ILE13E, ILE13F, ILE30E, ILE30F, ILE36E, ILE36F, ILE44E, ILE44F, LEU69E, LEU69F, LEU71E, LEU71F, LEU73E, LEU73F, LEU8E, LEU8F, LYS11E, LYS11F, LYS33E, LYS33F, LYS6E, LYS6F, PRO37E, PRO37F, THR12E, THR12F, THR7E, THR7F, THR9E, THR9F, VAL5E, VAL5F, VAL70E, VAL70F
• E-H: ALA46H, ASN60H, GLN2E, GLN62H, GLU64E, GLY10E, GLY47H, HIS68E, HIS68H, ILE13E, ILE61H, LEU67H, LEU8E, LYS11E, LYS48H, LYS63H, LYS6E, PHE45H, PHE4E, SER65H, THR12E, THR14E, THR66E, THR66H, THR7E, THR9E, TYR59H, VAL5E
• F-G: ALA46F, ALA46G, ARG42G, ARG54F, ASN60F, ASP58F, GLN49F, GLN49G, GLY47F, GLY47G, HIS68G, ILE44G, LEU8G, LYS48F, LYS48G, LYS6G, SER57F, TYR59F, VAL70G
• F-H: ALA46F, ALA46H, ARG42F, ARG72F, ARG74F, GLN49F, GLY10H, GLY47F, GLY47H, GLY75F, GLY76F, HIS68F, HIS68H, ILE44F, ILE44H, LEU73F, LEU8F, LEU8H, LYS48F, LYS48H, LYS6H, PHE45F, PHE45H, THR7H, THR9H, VAL70F
• G-H: ARG42G, ARG42H, ARG72G, ARG72H, ARG74G, ARG74H, ASP32G, GLN31G, GLN31H, GLN40G, GLN40H, GLN41G, GLN41H, GLN49G, GLN49H, GLU34G, GLU34H, GLY10G, GLY10H, GLY35G, GLY35H, GLY75G, GLY75H, GLY76H, HIS68G, HIS68H, ILE13G, ILE13H, ILE30G, ILE30H, ILE36G, ILE36H, ILE44G, ILE44H, LEU69G, LEU69H, LEU71G, LEU71H, LEU73G, LEU73H, LEU8G, LEU8H, LYS11G, LYS11H, LYS33G, LYS33H, LYS6G, LYS6H, PRO37G, PRO37H, THR12G, THR12H, THR14G, THR7G, THR7H, THR9G, THR9H, VAL5G, VAL5H, VAL70G, VAL70H