4AIY

r6 human insulin hexamer (symmetric), nmr, 'green' substate, average structure

• Total interactions analyzed: 66
• Total true interactions: 42
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 60
  • Norm. En. per Res.: -4.3145
• Hub Node: B(8)

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	-21.8419	-14.3138	1476.99	1440.8344	48	20	8	6146	0	4	1
A-D	0.0	0.0	-1.3253	-1.3253	8	0	0	165	0	0	1
A-F	0.0	0.0	-33.1961	-33.1961	16	6	1	1526	0	0	0
A-G	0.0	0.0	-2.9209	-2.9209	4	0	0	145	0	0	0
A-H	0.0	0.0	-1.5969	-1.5969	11	0	0	313	0	0	0
B-C	0.0	0.0	-1.535	-1.535	9	0	0	175	0	0	1
B-D	-50.904	-14.0175	-193.946	-258.8675	60	17	9	7550	0	8	6
B-F	0.0	9.9115	-20.8668	-10.9553	20	0	0	1048	0	3	3
B-G	0.0	0.0	-1.5614	-1.5614	11	0	0	313	0	0	0
B-H	0.0	0.1107	-25.8319	-25.7212	18	2	3	1303	0	2	2
B-I	0.0	0.0	-32.0739	-32.0739	16	5	1	1522	0	0	0
B-J	0.0	10.0338	-21.3073	-11.2735	20	1	0	1057	0	3	3
B-L	0.0	0.0	-0.0337	-0.0337	4	0	0	7	0	2	2
C-D	-22.0077	-14.3571	1494.17	1457.8052	49	24	8	6181	0	4	1
C-I	0.0	0.0	-2.9314	-2.9314	4	0	0	145	0	0	0
C-J	0.0	0.0	-1.5553	-1.5553	11	0	0	313	0	0	0
C-L	0.0	0.0	-31.8857	-31.8857	16	6	1	1482	0	0	0
D-F	0.0	0.0	-0.0344	-0.0344	4	0	0	7	0	2	2
D-G	0.0	0.0	-31.3036	-31.3036	16	8	1	1517	0	0	0
D-H	0.0	9.8674	-20.8084	-10.941	20	0	0	1048	0	3	3
D-I	0.0	0.0	-1.5908	-1.5908	11	0	0	314	0	0	0
D-J	0.0	0.4105	-26.2394	-25.8289	18	2	3	1318	0	2	2
D-L	0.0	10.032	-20.5317	-10.4997	20	1	0	1041	0	3	3
E-F	-21.9796	-14.3776	1485.24	1448.8828	48	20	8	6143	0	4	1
E-H	0.0	0.0	-1.3264	-1.3264	8	0	0	167	0	0	1
E-J	0.0	0.0	-32.7883	-32.7883	16	5	1	1493	0	0	0
E-K	0.0	0.0	-2.9138	-2.9138	4	0	0	142	0	0	0
E-L	0.0	0.0	-1.5122	-1.5122	11	0	0	307	0	0	0
F-G	0.0	0.0	-1.4235	-1.4235	9	0	0	170	0	0	1
F-H	-47.5878	-14.0439	-194.92	-256.5518	60	20	9	7517	0	8	6
F-J	0.0	9.8888	-20.9527	-11.0639	20	0	0	1047	0	3	3
F-K	0.0	0.0	-1.5686	-1.5686	11	0	0	312	0	0	0
F-L	0.0	0.8522	-26.3165	-25.4643	18	2	3	1313	0	2	2
G-H	-21.9673	-14.3822	1500.56	1464.2105	49	24	8	6174	0	4	1
H-J	0.0	0.0	-0.0343	-0.0343	4	0	0	7	0	2	2
H-K	0.0	0.0	-33.3317	-33.3317	15	6	1	1493	0	0	0
H-L	0.0	9.943	-21.0761	-11.1331	20	0	0	1049	0	3	3
I-J	-21.9244	-14.2408	1475.03	1438.8648	48	20	8	6146	0	4	1
I-L	0.0	0.0	-1.3185	-1.3185	8	0	0	164	0	0	1
J-K	0.0	0.0	-1.4457	-1.4457	9	0	0	171	0	0	1
J-L	-50.0182	-13.846	-191.165	-255.0292	60	16	8	7471	0	8	6
K-L	-22.0041	-14.3691	1502.7	1466.3268	49	24	8	6170	0	4	1

Interface residues

• A-B: ALA14B, ARG22B, ASN18A, ASN21A, ASN3B, CYS11A, CYS19B, CYS20A, CYS6A, CYS7A, CYS7B, GLN15A, GLN4B, GLN5A, GLU13B, GLU17A, GLU21B, GLU4A, GLY1A, GLY20B, GLY23B, GLY8B, HIS10B, HIS5B, ILE10A, ILE2A, LEU11B, LEU13A, LEU15B, LEU16A, LEU17B, LEU6B, LYS29B, PHE24B, PHE25B, PRO28B, SER12A, SER9B, THR27B, THR30B, THR8A, TYR14A, TYR16B, TYR19A, TYR26B, VAL12B, VAL18B, VAL3A
• A-D: ASN21A, LYS29D, PHE25D, PRO28D, THR27D, TYR16D, TYR26D, VAL3A
• A-F: ASN3F, CYS11A, CYS6A, CYS7A, GLN4F, GLN5A, GLU4A, HIS5F, ILE10A, LEU16A, LEU6F, PHE1F, SER9A, THR8A, VAL2F, VAL3A
• A-G: LEU13A, LEU13G, TYR14A, TYR14G
• A-H: CYS11A, CYS6A, GLU21H, GLY20H, ILE10A, LEU13A, LEU16A, LEU17H, SER12A, TYR16H, VAL18H
• B-C: ASN21C, CYS20C, LYS29B, PHE25B, PRO28B, THR27B, TYR16B, TYR26B, VAL3C
• B-D: ALA14B, ALA14D, ARG22B, ARG22D, ASN3B, ASN3D, CYS19B, CYS19D, CYS7B, CYS7D, GLN4B, GLN4D, GLU13B, GLU13D, GLU21B, GLU21D, GLY20B, GLY20D, GLY23B, GLY23D, GLY8B, GLY8D, HIS10B, HIS10D, HIS5B, HIS5D, LEU11B, LEU11D, LEU15B, LEU15D, LEU17B, LEU17D, LEU6B, LEU6D, LYS29B, LYS29D, PHE1B, PHE1D, PHE24B, PHE24D, PHE25B, PHE25D, PRO28B, PRO28D, SER9B, SER9D, THR27B, THR27D, THR30B, THR30D, TYR16B, TYR16D, TYR26B, TYR26D, VAL12B, VAL12D, VAL18B, VAL18D, VAL2B, VAL2D
• B-F: ALA14B, ASN3B, ASN3F, CYS7B, CYS7F, GLN4B, GLU13B, GLU13F, GLY8B, GLY8F, HIS10B, HIS10F, HIS5F, LEU11B, LEU6B, LEU6F, PHE1F, SER9B, SER9F, VAL2F
• B-G: CYS11G, CYS6G, GLU21B, GLY20B, ILE10G, LEU13G, LEU16G, LEU17B, SER12G, TYR16B, VAL18B
• B-H: ALA14B, ALA14H, GLU13B, GLU13H, HIS10B, HIS10H, LEU11B, LEU11H, LEU15B, LEU15H, LEU17B, LEU17H, SER9B, SER9H, TYR16B, TYR16H, VAL18B, VAL18H
• B-I: ASN3B, CYS11I, CYS6I, CYS7I, GLN4B, GLN5I, GLU4I, HIS5B, ILE10I, LEU16I, LEU6B, PHE1B, SER9I, THR8I, VAL2B, VAL3I
• B-J: ALA14J, ASN3B, ASN3J, CYS7B, CYS7J, GLN4J, GLU13B, GLU13J, GLY8B, GLY8J, HIS10B, HIS10J, HIS5B, LEU11J, LEU6B, LEU6J, PHE1B, SER9B, SER9J, VAL2B
• B-L: GLU13B, GLU13L, HIS10B, HIS10L
• C-D: ALA14D, ARG22D, ASN18C, ASN21C, ASN3D, CYS11C, CYS19D, CYS20C, CYS6C, CYS7C, CYS7D, GLN15C, GLN4D, GLN5C, GLU13D, GLU17C, GLU21D, GLU4C, GLY1C, GLY20D, GLY23D, GLY8D, HIS10D, HIS5D, ILE10C, ILE2C, LEU11D, LEU13C, LEU15D, LEU16C, LEU17D, LEU6D, LYS29D, PHE24D, PHE25D, PRO28D, SER12C, SER9D, THR27D, THR30D, THR8C, TYR14C, TYR16D, TYR19C, TYR26D, VAL12D, VAL18D, VAL2D, VAL3C
• C-I: LEU13C, LEU13I, TYR14C, TYR14I
• C-J: CYS11C, CYS6C, GLU21J, GLY20J, ILE10C, LEU13C, LEU16C, LEU17J, SER12C, TYR16J, VAL18J
• C-L: ASN3L, CYS11C, CYS6C, CYS7C, GLN4L, GLN5C, GLU4C, HIS5L, ILE10C, LEU16C, LEU6L, PHE1L, SER9C, THR8C, VAL2L, VAL3C
• D-F: GLU13D, GLU13F, HIS10D, HIS10F
• D-G: ASN3D, CYS11G, CYS6G, CYS7G, GLN4D, GLN5G, GLU4G, HIS5D, ILE10G, LEU16G, LEU6D, PHE1D, SER9G, THR8G, VAL2D, VAL3G
• D-H: ALA14H, ASN3D, ASN3H, CYS7D, CYS7H, GLN4H, GLU13D, GLU13H, GLY8D, GLY8H, HIS10D, HIS10H, HIS5D, LEU11H, LEU6D, LEU6H, PHE1D, SER9D, SER9H, VAL2D
• D-I: CYS11I, CYS6I, GLU21D, GLY20D, ILE10I, LEU13I, LEU16I, LEU17D, SER12I, TYR16D, VAL18D
• D-J: ALA14D, ALA14J, GLU13D, GLU13J, HIS10D, HIS10J, LEU11D, LEU11J, LEU15D, LEU15J, LEU17D, LEU17J, SER9D, SER9J, TYR16D, TYR16J, VAL18D, VAL18J
• D-L: ALA14D, ASN3D, ASN3L, CYS7D, CYS7L, GLN4D, GLU13D, GLU13L, GLY8D, GLY8L, HIS10D, HIS10L, HIS5L, LEU11D, LEU6D, LEU6L, PHE1L, SER9D, SER9L, VAL2L
• E-F: ALA14F, ARG22F, ASN18E, ASN21E, ASN3F, CYS11E, CYS19F, CYS20E, CYS6E, CYS7E, CYS7F, GLN15E, GLN4F, GLN5E, GLU13F, GLU17E, GLU21F, GLU4E, GLY1E, GLY20F, GLY23F, GLY8F, HIS10F, HIS5F, ILE10E, ILE2E, LEU11F, LEU13E, LEU15F, LEU16E, LEU17F, LEU6F, LYS29F, PHE24F, PHE25F, PRO28F, SER12E, SER9F, THR27F, THR30F, THR8E, TYR14E, TYR16F, TYR19E, TYR26F, VAL12F, VAL18F, VAL3E
• E-H: ASN21E, LYS29H, PHE25H, PRO28H, THR27H, TYR16H, TYR26H, VAL3E
• E-J: ASN3J, CYS11E, CYS6E, CYS7E, GLN4J, GLN5E, GLU4E, HIS5J, ILE10E, LEU16E, LEU6J, PHE1J, SER9E, THR8E, VAL2J, VAL3E
• E-K: LEU13E, LEU13K, TYR14E, TYR14K
• E-L: CYS11E, CYS6E, GLU21L, GLY20L, ILE10E, LEU13E, LEU16E, LEU17L, SER12E, TYR16L, VAL18L
• F-G: ASN21G, CYS20G, LYS29F, PHE25F, PRO28F, THR27F, TYR16F, TYR26F, VAL3G
• F-H: ALA14F, ALA14H, ARG22F, ARG22H, ASN3F, ASN3H, CYS19F, CYS19H, CYS7F, CYS7H, GLN4F, GLN4H, GLU13F, GLU13H, GLU21F, GLU21H, GLY20F, GLY20H, GLY23F, GLY23H, GLY8F, GLY8H, HIS10F, HIS10H, HIS5F, HIS5H, LEU11F, LEU11H, LEU15F, LEU15H, LEU17F, LEU17H, LEU6F, LEU6H, LYS29F, LYS29H, PHE1F, PHE1H, PHE24F, PHE24H, PHE25F, PHE25H, PRO28F, PRO28H, SER9F, SER9H, THR27F, THR27H, THR30F, THR30H, TYR16F, TYR16H, TYR26F, TYR26H, VAL12F, VAL12H, VAL18F, VAL18H, VAL2F, VAL2H
• F-J: ALA14F, ASN3F, ASN3J, CYS7F, CYS7J, GLN4F, GLU13F, GLU13J, GLY8F, GLY8J, HIS10F, HIS10J, HIS5J, LEU11F, LEU6F, LEU6J, PHE1J, SER9F, SER9J, VAL2J
• F-K: CYS11K, CYS6K, GLU21F, GLY20F, ILE10K, LEU13K, LEU16K, LEU17F, SER12K, TYR16F, VAL18F
• F-L: ALA14F, ALA14L, GLU13F, GLU13L, HIS10F, HIS10L, LEU11F, LEU11L, LEU15F, LEU15L, LEU17F, LEU17L, SER9F, SER9L, TYR16F, TYR16L, VAL18F, VAL18L
• G-H: ALA14H, ARG22H, ASN18G, ASN21G, ASN3H, CYS11G, CYS19H, CYS20G, CYS6G, CYS7G, CYS7H, GLN15G, GLN4H, GLN5G, GLU13H, GLU17G, GLU21H, GLU4G, GLY1G, GLY20H, GLY23H, GLY8H, HIS10H, HIS5H, ILE10G, ILE2G, LEU11H, LEU13G, LEU15H, LEU16G, LEU17H, LEU6H, LYS29H, PHE24H, PHE25H, PRO28H, SER12G, SER9H, THR27H, THR30H, THR8G, TYR14G, TYR16H, TYR19G, TYR26H, VAL12H, VAL18H, VAL2H, VAL3G
• H-J: GLU13H, GLU13J, HIS10H, HIS10J
• H-K: ASN3H, CYS11K, CYS6K, CYS7K, GLN4H, GLN5K, GLU4K, HIS5H, ILE10K, LEU6H, PHE1H, SER9K, THR8K, VAL2H, VAL3K
• H-L: ALA14L, ASN3H, ASN3L, CYS7H, CYS7L, GLN4L, GLU13H, GLU13L, GLY8H, GLY8L, HIS10H, HIS10L, HIS5H, LEU11L, LEU6H, LEU6L, PHE1H, SER9H, SER9L, VAL2H
• I-J: ALA14J, ARG22J, ASN18I, ASN21I, ASN3J, CYS11I, CYS19J, CYS20I, CYS6I, CYS7I, CYS7J, GLN15I, GLN4J, GLN5I, GLU13J, GLU17I, GLU21J, GLU4I, GLY1I, GLY20J, GLY23J, GLY8J, HIS10J, HIS5J, ILE10I, ILE2I, LEU11J, LEU13I, LEU15J, LEU16I, LEU17J, LEU6J, LYS29J, PHE24J, PHE25J, PRO28J, SER12I, SER9J, THR27J, THR30J, THR8I, TYR14I, TYR16J, TYR19I, TYR26J, VAL12J, VAL18J, VAL3I
• I-L: ASN21I, LYS29L, PHE25L, PRO28L, THR27L, TYR16L, TYR26L, VAL3I
• J-K: ASN21K, CYS20K, LYS29J, PHE25J, PRO28J, THR27J, TYR16J, TYR26J, VAL3K
• J-L: ALA14J, ALA14L, ARG22J, ARG22L, ASN3J, ASN3L, CYS19J, CYS19L, CYS7J, CYS7L, GLN4J, GLN4L, GLU13J, GLU13L, GLU21J, GLU21L, GLY20J, GLY20L, GLY23J, GLY23L, GLY8J, GLY8L, HIS10J, HIS10L, HIS5J, HIS5L, LEU11J, LEU11L, LEU15J, LEU15L, LEU17J, LEU17L, LEU6J, LEU6L, LYS29J, LYS29L, PHE1J, PHE1L, PHE24J, PHE24L, PHE25J, PHE25L, PRO28J, PRO28L, SER9J, SER9L, THR27J, THR27L, THR30J, THR30L, TYR16J, TYR16L, TYR26J, TYR26L, VAL12J, VAL12L, VAL18J, VAL18L, VAL2J, VAL2L
• K-L: ALA14L, ARG22L, ASN18K, ASN21K, ASN3L, CYS11K, CYS19L, CYS20K, CYS6K, CYS7K, CYS7L, GLN15K, GLN4L, GLN5K, GLU13L, GLU17K, GLU21L, GLU4K, GLY1K, GLY20L, GLY23L, GLY8L, HIS10L, HIS5L, ILE10K, ILE2K, LEU11L, LEU13K, LEU15L, LEU16K, LEU17L, LEU6L, LYS29L, PHE24L, PHE25L, PRO28L, SER12K, SER9L, THR27L, THR30L, THR8K, TYR14K, TYR16L, TYR19K, TYR26L, VAL12L, VAL18L, VAL2L, VAL3K