1QIZ

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

• Total interactions analyzed: 66
• Total true interactions: 39
• Strongest Interaction:
  • Chains: J-L
  • Int. Res.: 55
  • Norm. En. per Res.: -4.3361
• 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	-21.5517	-17.0256	1326.33	1287.7527	50	26	7	6157	1	2	2
A-D	0.0	0.0	-5.2573	-5.2573	13	0	0	252	0	0	1
A-F	-7.9867	0.0	-37.6927	-45.6794	18	1	2	1596	0	0	0
A-G	0.0	0.0	-1.9313	-1.9313	6	0	1	180	0	0	1
A-H	0.0	0.0	-10.4858	-10.4858	13	0	1	485	0	0	0
B-C	0.0	0.0	-1.354	-1.354	10	0	0	133	0	0	1
B-D	-68.5732	-11.3182	-153.981	-233.8724	56	14	6	7159	1	4	4
B-F	0.0	8.8722	-21.9927	-13.1205	21	1	1	974	0	2	2
B-G	0.0	0.0	-8.2374	-8.2374	14	0	2	456	0	0	0
B-H	0.0	6.7076	-12.0659	-5.3583	16	0	3	794	0	2	2
B-I	0.0	0.0	-41.7045	-41.7045	17	0	2	1471	0	0	0
B-J	0.0	8.5817	-22.8745	-14.2928	19	2	1	982	0	2	2
C-D	-28.8547	-39.3974	638.199	569.9469	50	19	8	5977	2	2	2
C-I	0.0	0.0	-2.566	-2.566	6	0	1	185	0	0	1
C-J	0.0	0.0	-7.2139	-7.2139	12	0	1	433	0	0	0
C-L	0.0	0.0	-26.7134	-26.7134	15	3	3	1253	0	0	0
D-G	0.0	0.0	-40.8822	-40.8822	17	3	3	1523	0	0	0
D-H	0.0	9.0874	-21.7034	-12.616	20	1	1	954	0	2	2
D-I	0.0	0.0	-8.3686	-8.3686	13	1	1	472	0	0	0
D-J	0.0	-3.2986	-7.7594	-11.0581	17	3	3	949	0	2	2
D-L	0.0	9.55	-21.3005	-11.7505	18	2	1	1049	0	2	2
E-F	-33.6418	-14.2394	1216.56	1168.6788	49	20	10	6253	0	2	2
E-H	0.0	0.0	-6.8254	-6.8254	11	2	0	283	0	0	1
E-J	0.0	0.0	-41.0171	-41.0171	17	3	2	1429	0	0	0
E-K	0.0	0.0	-2.5728	-2.5728	6	0	0	208	0	0	1
E-L	0.0	0.0	-10.2428	-10.2428	13	1	0	570	0	0	0
F-G	0.0	0.0	-3.0666	-3.0666	8	0	0	188	0	0	1
F-H	-64.5707	44.1899	-186.702	-207.0828	56	10	6	7232	0	4	4
F-J	0.0	9.0777	-42.5144	-33.4367	23	1	1	1524	0	2	2
F-K	0.0	0.0	-11.1832	-11.1832	15	0	2	571	0	0	0
F-L	0.0	-0.5394	-14.4433	-14.9827	17	0	3	935	0	2	2
G-H	-11.6345	-18.0934	1328.69	1298.962	50	18	7	6044	1	2	2
H-K	0.0	0.0	-41.9737	-41.9737	17	0	2	1503	0	0	0
H-L	0.0	8.6055	-21.1572	-12.5517	19	1	1	989	0	2	2
I-J	-10.4881	-16.2649	687.681	660.928	49	15	8	6294	1	2	2
I-L	0.0	0.0	-5.9111	-5.9111	11	0	0	265	0	0	0
J-K	0.0	0.0	-1.173	-1.173	7	0	0	117	0	0	1
J-L	-44.7314	11.4101	-205.165	-238.4863	55	9	6	6839	0	4	4
K-L	-20.9257	-36.3062	684.289	627.0571	49	18	8	6024	2	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, CYS20A, CYS7A, ILE2A, LYS29D, PHE25D, PRO28D, THR27D, THR30D, TYR16D, TYR19A, TYR26D, VAL3A
• A-F: ASN3F, CYS11A, CYS6A, CYS7A, GLN4F, GLN5A, ILE10A, LEU13A, LEU16A, LEU6F, LYS29F, PHE1F, SER12A, SER9A, THR8A, TYR5F, VAL2F, VAL3A
• A-G: GLU17A, GLU17G, LEU13A, LEU13G, LEU16A, TYR14G
• A-H: ALA14H, CYS11A, CYS19H, GLU21H, GLY20H, ILE10A, LEU13A, LEU15H, LEU16A, LEU17H, SER12A, TYR16H, VAL18H
• B-C: ASN21C, CYS20C, CYS7C, ILE2C, 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, 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, TYR14G, 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, 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, LEU16C, TYR14C
• C-J: ALA14J, CYS11C, CYS19J, GLY20J, ILE10C, LEU13C, LEU15J, LEU16C, LEU17J, SER12C, TYR16J, VAL18J
• C-L: ASN3L, CYS11C, CYS6C, CYS7C, GLN4L, 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, TYR5H, VAL2D
• D-I: ALA14D, CYS11I, CYS19D, GLU21D, GLY20D, ILE10I, LEU13I, LEU15D, LEU16I, LEU17D, SER12I, TYR16D, VAL18D
• D-J: ALA14D, ALA14J, GLU13D, GLU13J, HIS10D, HIS10J, LEU11D, LEU11J, LEU15D, LEU15J, LEU17D, LEU17J, TYR16D, TYR16J, VAL12J, VAL18D, VAL18J
• D-L: ALA14D, ASN3D, ASN3L, CYS7D, CYS7L, GLN4D, GLU13L, GLY8D, HIS10D, HIS10L, LEU11D, LEU6D, LEU6L, SER9D, SER9L, TYR5D, TYR5L, 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, ILE2E, 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, ILE2G, PHE25F, PRO28F, THR27F, 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, THR30H, 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, LEU11J, LEU6F, LEU6J, PHE1J, SER9F, SER9J, TYR5F, TYR5J, VAL2F, VAL2J
• F-K: ALA14F, CYS11K, CYS19F, GLU13F, 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, 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, GLY8H, GLY8L, HIS10H, HIS10L, 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, TYR16L, TYR19I, TYR26L, VAL3I
• J-K: ASN21K, 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, PHE24J, PHE24L, PHE25J, PHE25L, PRO28J, PRO28L, SER9J, SER9L, THR27J, THR27L, 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