1QIY

human insulin hexamers with chain b his mutated to tyr complexed with phenol

• Total interactions analyzed: 66
• Total true interactions: 39
• Strongest Interaction:
  • Chains: J-L
  • Int. Res.: 57
  • Norm. En. per Res.: -4.592
• Hub Node: B(7)

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	-8.8031	-15.5055	1241.91	1217.6014	50	13	8	5917	0	2	2
A-D	0.0	0.0	-2.788	-2.788	12	0	0	236	0	0	1
A-F	0.0	0.0	-35.4312	-35.4312	17	0	2	1466	0	0	0
A-G	0.0	0.0	-2.3515	-2.3515	6	0	1	201	0	0	1
A-H	0.0	0.0	-8.0227	-8.0227	12	1	0	483	0	0	0
B-C	0.0	0.0	-2.5388	-2.5388	10	0	0	205	0	0	0
B-D	-52.7106	-9.3566	-190.02	-252.0873	57	10	6	6780	1	4	4
B-F	0.0	8.1335	-22.9162	-14.7827	21	1	1	974	0	2	2
B-G	0.0	0.0	-8.3473	-8.3473	13	0	2	450	0	0	0
B-H	0.0	6.8202	-9.7798	-2.9596	16	0	3	769	0	2	2
B-I	0.0	0.0	-38.9903	-38.9903	17	0	2	1422	0	0	0
B-J	0.0	8.1702	-22.3325	-14.1623	20	1	1	976	0	2	2
C-D	-18.7719	-39.2119	1495.04	1437.0562	50	20	7	5968	2	3	2
C-I	0.0	0.0	-3.2722	-3.2722	6	0	1	187	0	0	1
C-J	0.0	0.0	-6.6244	-6.6244	13	0	1	426	0	0	0
C-L	0.0	0.0	-33.5317	-33.5317	16	2	3	1425	0	0	0
D-G	0.0	0.0	-39.7606	-39.7606	17	1	3	1467	0	0	0
D-H	0.0	8.4859	-21.0288	-12.5429	19	1	0	948	0	2	2
D-I	0.0	0.0	-10.7132	-10.7132	12	1	0	569	0	0	0
D-J	0.0	-3.8626	-14.0929	-17.9555	17	0	3	904	0	2	2
D-L	0.0	8.299	-19.8827	-11.5837	20	1	1	974	0	2	2
E-F	-9.0071	-27.0043	1381.95	1345.9386	49	15	9	6166	2	3	1
E-H	0.0	0.0	-5.5156	-5.5156	13	0	0	275	0	0	1
E-J	0.0	0.0	-39.5639	-39.5639	17	1	2	1400	0	0	0
E-K	0.0	0.0	-2.2331	-2.2331	6	0	0	186	0	0	1
E-L	0.0	0.0	-9.1583	-9.1583	13	0	0	558	0	0	0
F-G	0.0	0.0	-0.9961	-0.9961	10	0	0	116	0	0	1
F-H	-64.7655	15.2105	-201.535	-251.09	55	8	6	7025	0	4	4
F-J	0.0	8.476	-33.9421	-25.4661	22	1	0	1380	0	2	2
F-K	0.0	0.0	-8.0258	-8.0258	15	0	1	465	0	0	0
F-L	0.0	4.7575	-16.3671	-11.6096	18	0	3	985	0	2	2
G-H	-12.2045	-22.5155	1310.7	1275.9799	50	19	7	6001	1	2	2
H-K	0.0	0.0	-36.125	-36.125	17	0	2	1341	0	0	0
H-L	0.0	8.4174	-23.6122	-15.1948	21	1	1	1039	0	2	2
I-J	-17.1789	-17.0214	1260.25	1226.0497	49	17	8	5954	0	2	2
I-L	0.0	0.0	-6.9758	-6.9758	12	1	0	297	0	0	1
J-K	0.0	0.0	-1.2528	-1.2528	9	0	0	128	0	0	0
J-L	-46.9861	-3.1896	-211.567	-261.7428	57	8	6	7102	2	4	4
K-L	-12.3742	-16.7164	1590.57	1561.4794	49	14	7	5666	1	2	2

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, ILE10A, ILE2A, LEU11B, LEU13A, LEU15B, LEU16A, LEU17B, LEU6B, LYS29B, PHE1B, PHE24B, PHE25B, PRO28B, SER12A, SER9A, SER9B, THR27B, THR30B, THR8A, TYR14A, TYR16B, TYR19A, TYR26B, TYR5B, VAL12B, VAL18B, VAL3A
• A-D: ASN21A, CYS7A, ILE2A, LYS29D, PHE25D, PRO28D, THR27D, THR30D, TYR16D, TYR19A, TYR26D, VAL3A
• A-F: ASN3F, CYS11A, CYS6A, CYS7A, GLN4F, GLN5A, ILE10A, LEU13A, LEU16A, LEU6F, PHE1F, SER12A, SER9A, THR8A, TYR5F, VAL2F, VAL3A
• A-G: GLU17A, GLU17G, LEU13A, LEU13G, LEU16A, TYR14G
• A-H: ALA14H, ARG22H, CYS11A, CYS19H, GLY20H, ILE10A, LEU13A, LEU16A, LEU17H, SER12A, TYR16H, VAL18H
• B-C: ASN21C, CYS7C, ILE2C, PHE24B, PHE25B, PRO28B, THR27B, TYR16B, TYR26B, VAL3C
• B-D: ALA14B, ALA14D, ARG22B, ARG22D, ASN3B, CYS19B, CYS19D, CYS7B, CYS7D, GLN4B, GLN4D, GLU13B, GLU13D, GLU21B, GLU21D, GLY20B, GLY20D, GLY23B, GLY23D, GLY8B, GLY8D, HIS10B, HIS10D, LEU11B, LEU11D, LEU15B, LEU15D, LEU17B, LEU17D, LEU6B, LEU6D, LYS29B, LYS29D, PHE1D, PHE24B, PHE24D, PHE25B, PHE25D, PRO28B, PRO28D, SER9B, SER9D, THR27B, THR27D, THR30D, TYR16B, TYR16D, TYR26B, TYR26D, TYR5B, TYR5D, VAL12B, VAL12D, VAL18B, VAL18D, VAL2B, VAL2D
• B-F: ALA14B, ASN3B, ASN3F, CYS7B, CYS7F, GLN4B, GLU13B, GLU13F, GLY8B, GLY8F, HIS10B, HIS10F, LEU11B, LEU6B, LEU6F, PHE1F, SER9B, SER9F, TYR5B, TYR5F, VAL2F
• B-G: ALA14B, CYS11G, CYS19B, GLU21B, GLY20B, ILE10G, LEU13G, LEU15B, LEU16G, LEU17B, SER12G, TYR16B, VAL18B
• B-H: ALA14B, ALA14H, GLU13B, GLU13H, HIS10B, HIS10H, LEU11B, LEU11H, LEU15B, LEU15H, LEU17B, LEU17H, TYR16B, TYR16H, VAL18B, VAL18H
• B-I: ASN3B, CYS11I, CYS6I, CYS7I, GLN4B, GLN5I, ILE10I, LEU13I, LEU16I, LEU6B, PHE1B, SER12I, SER9I, THR8I, TYR5B, VAL2B, VAL3I
• B-J: ALA14J, ASN3B, ASN3J, CYS7B, CYS7J, GLN4J, GLU13B, GLU13J, GLY8J, HIS10B, HIS10J, LEU11J, LEU6B, LEU6J, PHE1J, SER9B, SER9J, TYR5B, TYR5J, VAL2B
• 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, ILE10C, ILE2C, LEU11D, LEU13C, LEU15D, LEU16C, LEU17D, LEU6D, LYS29D, PHE1D, PHE24D, PHE25D, PRO28D, SER12C, SER9C, SER9D, THR27D, THR30D, THR8C, TYR14C, TYR16D, TYR19C, TYR26D, TYR5D, VAL12D, VAL18D, VAL3C
• C-I: GLU17C, GLU17I, LEU13C, LEU13I, LEU16I, TYR14C
• C-J: ALA14J, CYS11C, CYS19J, GLU21J, GLY20J, ILE10C, LEU13C, LEU15J, LEU16C, LEU17J, SER12C, TYR16J, VAL18J
• C-L: ASN3L, CYS11C, CYS6C, CYS7C, GLN4L, GLN5C, ILE10C, LEU13C, LEU16C, LEU6L, PHE1L, SER12C, SER9C, THR8C, TYR5L, VAL2L
• D-G: ASN3D, CYS11G, CYS6G, CYS7G, GLN4D, GLN5G, ILE10G, LEU13G, LEU16G, LEU6D, PHE1D, SER12G, SER9G, THR8G, TYR5D, VAL2D, VAL3G
• D-H: ALA14H, ASN3D, ASN3H, CYS7D, CYS7H, GLN4H, GLU13D, GLU13H, GLY8D, GLY8H, HIS10D, HIS10H, LEU11H, LEU6D, LEU6H, SER9D, SER9H, TYR5D, VAL2D
• D-I: ALA14D, CYS11I, CYS19D, GLU21D, GLY20D, ILE10I, LEU13I, LEU16I, LEU17D, SER12I, TYR16D, VAL18D
• D-J: ALA14D, ALA14J, CYS19J, GLU13D, GLU13J, HIS10D, HIS10J, LEU11D, LEU11J, LEU15D, LEU15J, LEU17D, LEU17J, TYR16D, TYR16J, VAL18D, VAL18J
• D-L: ALA14D, ASN3D, ASN3L, CYS7D, CYS7L, GLN4D, GLU13D, GLU13L, GLY8D, HIS10D, HIS10L, LEU11D, LEU6D, LEU6L, SER9D, SER9L, TYR5D, TYR5L, VAL2D, 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, ILE10E, ILE2E, LEU11F, LEU13E, LEU15F, LEU16E, LEU17F, LEU6F, LYS29F, PHE24F, PHE25F, PRO28F, SER12E, SER9E, SER9F, THR27F, THR30F, THR8E, TYR14E, TYR16F, TYR19E, TYR26F, TYR5F, VAL12F, VAL18F, VAL3E
• E-H: ASN21E, CYS20E, CYS7E, GLU21H, ILE2E, PHE24H, PHE25H, PRO28H, THR27H, TYR16H, TYR19E, TYR26H, VAL3E
• E-J: ASN3J, CYS11E, CYS6E, CYS7E, GLN4J, GLN5E, ILE10E, LEU13E, LEU16E, LEU6J, PHE1J, SER12E, SER9E, THR8E, TYR5J, VAL2J, VAL3E
• E-K: GLU17E, GLU17K, LEU13E, LEU13K, LEU16E, TYR14K
• E-L: ALA14L, ARG22L, CYS11E, CYS19L, GLU21L, GLY20L, ILE10E, LEU13E, LEU16E, LEU17L, SER12E, TYR16L, VAL18L
• F-G: ASN21G, GLU21F, ILE2G, PHE25F, PRO28F, THR27F, THR30F, TYR16F, TYR26F, VAL3G
• F-H: ALA14F, ALA14H, ARG22F, ARG22H, ASN3H, CYS19F, CYS19H, CYS7F, CYS7H, GLN4F, GLN4H, GLU13F, GLU13H, GLU21F, GLU21H, GLY20F, GLY20H, GLY23F, GLY23H, GLY8F, GLY8H, HIS10F, HIS10H, LEU11F, LEU11H, LEU15F, LEU15H, LEU17F, LEU17H, LEU6F, LEU6H, LYS29F, LYS29H, PHE24F, PHE24H, PHE25F, PHE25H, PRO28F, PRO28H, SER9F, SER9H, THR27F, THR27H, THR30F, TYR16F, TYR16H, TYR26F, TYR26H, TYR5F, TYR5H, VAL12F, VAL12H, VAL18F, VAL18H, VAL2H
• F-J: ALA14F, ASN3F, ASN3J, CYS7F, CYS7J, GLN4F, GLU13F, GLU13J, GLY8F, GLY8J, HIS10F, HIS10J, LEU11F, LEU6F, LEU6J, PHE1J, SER9F, SER9J, TYR5F, TYR5J, VAL2F, VAL2J
• F-K: ALA14F, ARG22F, CYS11K, CYS19F, GLU21F, GLY20F, ILE10K, LEU13K, LEU15F, LEU16K, LEU17F, SER12K, TYR14K, TYR16F, VAL18F
• F-L: ALA14F, ALA14L, CYS19F, GLU13F, GLU13L, HIS10F, HIS10L, LEU11F, LEU11L, LEU15F, LEU15L, LEU17F, LEU17L, TYR16F, TYR16L, VAL12L, 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, ILE10G, ILE2G, LEU11H, LEU13G, LEU15H, LEU16G, LEU17H, LEU6H, LYS29H, PHE1H, PHE24H, PHE25H, PRO28H, SER12G, SER9G, SER9H, THR27H, THR30H, THR8G, TYR14G, TYR16H, TYR19G, TYR26H, TYR5H, VAL12H, VAL18H, VAL3G
• H-K: ASN3H, CYS11K, CYS6K, CYS7K, GLN4H, GLN5K, ILE10K, LEU13K, LEU16K, LEU6H, PHE1H, SER12K, SER9K, THR8K, TYR5H, VAL2H, VAL3K
• H-L: ALA14L, ASN3H, ASN3L, CYS7H, CYS7L, GLN4L, GLU13H, GLU13L, GLY8H, GLY8L, HIS10H, HIS10L, LEU11H, LEU11L, LEU6H, LEU6L, SER9H, SER9L, TYR5H, TYR5L, 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, ILE10I, ILE2I, LEU11J, LEU13I, LEU15J, LEU16I, LEU17J, LEU6J, LYS29J, PHE24J, PHE25J, PRO28J, SER12I, SER9I, SER9J, THR27J, THR30J, THR8I, TYR14I, TYR16J, TYR19I, TYR26J, TYR5J, VAL12J, VAL18J, VAL3I
• I-L: ASN21I, CYS20I, ILE2I, PHE24L, PHE25L, PRO28L, THR27L, THR30L, TYR16L, TYR19I, TYR26L, VAL3I
• J-K: ASN21K, ILE2K, LYS29J, PHE25J, PRO28J, THR27J, TYR16J, TYR26J, VAL3K
• J-L: ALA14J, ALA14L, ARG22J, ARG22L, CYS19J, CYS19L, CYS7J, CYS7L, GLN4J, GLN4L, GLU13J, GLU13L, GLU21J, GLU21L, GLY20J, GLY20L, GLY23J, GLY23L, GLY8J, GLY8L, HIS10J, HIS10L, LEU11J, LEU11L, LEU15J, LEU15L, LEU17J, LEU17L, LEU6J, LEU6L, LYS29J, LYS29L, PHE1L, PHE24J, PHE24L, PHE25J, PHE25L, PRO28J, PRO28L, SER9J, SER9L, THR27J, THR27L, THR30J, THR30L, TYR16J, TYR16L, TYR26J, TYR26L, TYR5J, TYR5L, 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, ILE10K, ILE2K, LEU11L, LEU13K, LEU15L, LEU16K, LEU17L, LEU6L, LYS29L, PHE24L, PHE25L, PRO28L, SER12K, SER9K, SER9L, THR27L, THR30L, THR8K, TYR14K, TYR16L, TYR19K, TYR26L, TYR5L, VAL12L, VAL18L, VAL3K