2OLY

structure of human insulin in presence of urea at ph 7.0

• Total interactions analyzed: 66
• Total true interactions: 39
• Strongest Interaction:
  • Chains: B-J
  • Int. Res.: 54
  • Norm. En. per Res.: -4.9718
• 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	-22.5268	-34.6342	1322.56	1265.399	47	14	10	6363	2	1	2
A-D	0.0	0.0	-36.5452	-36.5452	17	0	2	1375	0	0	0
A-G	0.0	0.0	-2.0153	-2.0153	7	0	0	182	0	0	0
A-H	0.0	0.0	-8.908	-8.908	16	0	2	503	0	0	0
A-J	-6.4258	0.0	-7.7648	-14.1906	11	0	0	272	0	0	1
B-D	0.0	11.2763	-26.0902	-14.8139	22	1	1	1147	0	3	4
B-E	-10.9149	0.0	-50.211	-61.1259	17	2	2	1695	0	0	0
B-F	0.0	11.6561	-25.4377	-13.7816	23	1	1	1133	0	3	4
B-G	0.0	0.0	-10.0477	-10.0477	13	0	0	536	0	0	0
B-H	0.0	21.269	-22.8368	-1.5678	17	1	3	1085	0	2	2
B-I	0.0	0.0	-6.1263	-6.1263	9	0	0	207	0	0	1
B-J	-51.1043	0.7887	-218.159	-268.4746	54	7	8	6888	0	6	4
C-D	-10.7317	-36.5188	1261.85	1214.5995	48	15	8	6054	2	2	2
C-F	-10.2598	0.0	-38.6851	-48.9449	16	2	1	1320	0	0	0
C-H	-7.0706	0.0	-8.6508	-15.7214	11	0	0	295	0	0	1
C-K	0.0	0.0	-2.8821	-2.8821	5	1	1	180	0	0	1
C-L	0.0	0.0	-10.1281	-10.1281	15	0	2	588	0	0	0
D-F	0.0	11.8192	-43.7494	-31.9302	23	3	1	1673	0	3	4
D-G	-6.8187	0.0	-10.3185	-17.1372	12	0	0	308	0	0	1
D-H	-41.6637	27.7569	-203.72	-217.6268	55	10	6	6986	0	7	5
D-K	0.0	0.0	-8.7621	-8.7621	14	0	2	484	0	0	0
D-L	0.0	2.7981	-17.3933	-14.5952	17	0	3	996	0	2	2
E-F	-15.5466	-28.833	1235.53	1191.1504	48	13	7	5413	2	3	2
E-I	0.0	0.0	-2.1317	-2.1317	5	0	0	175	0	0	1
E-J	0.0	0.0	-11.9959	-11.9959	13	2	1	628	0	0	0
E-L	0.0	0.0	-4.734	-4.734	8	0	0	204	0	0	0
F-I	0.0	0.0	-13.3409	-13.3409	16	0	2	607	0	0	0
F-J	0.0	6.0132	-21.5242	-15.511	18	0	3	1097	0	2	2
F-K	0.0	0.0	-6.0099	-6.0099	10	0	0	250	0	0	1
F-L	-66.1981	1.4184	-207.206	-271.9857	56	7	7	6415	0	7	5
G-H	-23.1239	-31.1209	618.531	564.2861	48	12	8	6330	2	3	2
G-J	-4.1016	0.0	-32.2989	-36.4005	16	2	1	1257	0	0	0
H-J	0.0	11.5371	-31.9843	-20.4472	23	2	1	1413	0	3	4
H-K	-7.7478	0.0	-36.2042	-43.952	17	0	1	1411	0	0	0
H-L	0.0	11.4199	-46.7664	-35.3465	24	1	1	1730	0	3	3
I-J	-29.808	-28.3167	1520.68	1462.5553	47	18	8	6022	2	2	2
I-L	0.0	0.0	-35.5905	-35.5905	17	0	1	1409	0	0	0
J-L	0.0	11.5576	-26.059	-14.5014	22	1	1	1145	0	3	3
K-L	-15.4024	-33.0888	1274.19	1225.6988	48	9	7	5784	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, HIS5B, ILE10A, ILE2A, LEU11B, LEU13A, LEU15B, LEU16A, LEU17B, LEU6B, PHE24B, PHE25B, PRO28B, SER12A, SER9A, SER9B, THR27B, THR8A, TYR14A, TYR16B, TYR19A, TYR26B, VAL12B, VAL18B, VAL3A
• A-D: ASN3D, CYS11A, CYS6A, CYS7A, GLN4D, GLN5A, HIS5D, ILE10A, LEU13A, LEU16A, LEU6D, PHE1D, SER12A, SER9A, THR8A, VAL2D, VAL3A
• A-G: GLU17A, GLU17G, LEU13A, LEU13G, LEU16G, TYR14A, TYR14G
• A-H: ALA14H, ARG22H, CYS11A, CYS19H, GLU13H, GLU21H, GLY20H, ILE10A, LEU13A, LEU15H, LEU16A, LEU17H, SER12A, TYR14A, TYR16H, VAL18H
• A-J: ASN21A, CYS20A, ILE2A, PHE24J, PHE25J, PRO28J, THR27J, TYR16J, TYR19A, TYR26J, VAL3A
• B-D: ALA14B, ASN3B, ASN3D, CYS7B, CYS7D, GLN4B, GLU13B, GLU13D, GLY8B, GLY8D, HIS10B, HIS10D, HIS5B, HIS5D, LEU11B, LEU11D, LEU6B, LEU6D, SER9B, SER9D, VAL2B, VAL2D
• B-E: ASN3B, CYS11E, CYS6E, CYS7E, GLN4B, GLN5E, HIS5B, ILE10E, LEU13E, LEU16E, LEU6B, PHE1B, SER12E, SER9E, THR8E, VAL2B, VAL3E
• B-F: ALA14F, ASN3B, ASN3F, CYS7B, CYS7F, GLN4F, GLU13B, GLU13F, GLY8B, GLY8F, HIS10B, HIS10F, HIS5B, HIS5F, LEU11B, LEU11F, LEU6B, LEU6F, PHE1F, SER9B, SER9F, VAL2B, VAL2F
• B-G: ALA14B, ARG22B, CYS11G, CYS19B, GLU21B, GLY20B, ILE10G, LEU13G, LEU16G, LEU17B, SER12G, TYR16B, VAL18B
• B-H: ALA14B, ALA14H, CYS19H, GLU13B, GLU13H, HIS10B, HIS10H, LEU11B, LEU11H, LEU15B, LEU15H, LEU17B, LEU17H, TYR16B, TYR16H, VAL18B, VAL18H
• B-I: ASN21I, CYS20I, ILE2I, PHE25B, PRO28B, THR27B, TYR16B, TYR26B, VAL3I
• B-J: ALA14B, ALA14J, ARG22B, ARG22J, ASN3B, ASN3J, CYS19B, CYS19J, CYS7B, CYS7J, GLN4B, GLN4J, GLU13B, GLU13J, GLU21B, GLU21J, GLY20B, GLY20J, GLY23B, GLY23J, GLY8B, GLY8J, HIS10B, HIS10J, HIS5B, HIS5J, LEU11B, LEU11J, LEU15B, LEU15J, LEU17B, LEU17J, LEU6B, LEU6J, PHE1B, PHE24B, PHE24J, PHE25B, PHE25J, PRO28B, PRO28J, SER9B, SER9J, THR27B, THR27J, TYR16B, TYR16J, TYR26B, TYR26J, VAL12B, VAL12J, VAL18B, VAL18J, 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, HIS5D, ILE10C, ILE2C, LEU11D, LEU13C, LEU15D, LEU16C, LEU17D, LEU6D, PHE1D, PHE24D, PHE25D, PRO28D, SER12C, SER9C, SER9D, THR27D, THR8C, TYR14C, TYR16D, TYR19C, TYR26D, VAL12D, VAL18D, VAL3C
• C-F: ASN3F, CYS11C, CYS6C, CYS7C, GLN4F, GLN5C, HIS5F, ILE10C, LEU13C, LEU16C, LEU6F, PHE1F, SER9C, THR8C, VAL2F, VAL3C
• C-H: ASN21C, CYS20C, CYS7C, ILE2C, PHE25H, PRO28H, THR27H, TYR16H, TYR19C, TYR26H, VAL3C
• C-K: GLU17C, GLU17K, LEU13C, LEU13K, LEU16C
• C-L: ALA14L, ARG22L, CYS11C, CYS19L, GLU13L, GLU21L, GLY20L, ILE10C, LEU13C, LEU15L, LEU16C, LEU17L, SER12C, TYR16L, VAL18L
• D-F: ALA14D, ASN3D, ASN3F, CYS7D, CYS7F, GLN4D, GLU13D, GLU13F, GLY8D, GLY8F, HIS10D, HIS10F, HIS5D, HIS5F, LEU11D, LEU11F, LEU6D, LEU6F, PHE1F, SER9D, SER9F, VAL2D, VAL2F
• D-G: ASN21G, CYS20G, CYS7G, GLU21D, ILE2G, PHE25D, PRO28D, THR27D, TYR16D, TYR19G, TYR26D, VAL3G
• D-H: ALA14D, ALA14H, ARG22D, ARG22H, ASN3D, ASN3H, CYS19D, CYS19H, CYS7D, CYS7H, GLN4D, GLN4H, GLU13D, GLU13H, GLU21D, GLU21H, GLY20D, GLY20H, GLY23D, GLY23H, GLY8D, GLY8H, HIS10D, HIS10H, HIS5D, HIS5H, LEU11D, LEU11H, LEU15D, LEU15H, LEU17D, LEU17H, LEU6D, LEU6H, LYS29H, PHE1D, PHE24D, PHE24H, PHE25D, PHE25H, PRO28D, PRO28H, SER9D, SER9H, THR27D, THR27H, TYR16D, TYR16H, TYR26D, TYR26H, VAL12D, VAL12H, VAL18D, VAL18H, VAL2D
• D-K: ALA14D, ARG22D, CYS11K, CYS19D, GLU21D, GLY20D, ILE10K, LEU13K, LEU15D, LEU16K, LEU17D, SER12K, TYR16D, VAL18D
• D-L: ALA14D, ALA14L, GLU13D, GLU13L, HIS10D, HIS10L, LEU11D, LEU11L, LEU15D, LEU15L, LEU17D, LEU17L, TYR16D, TYR16L, VAL12L, VAL18D, VAL18L
• 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, SER9E, SER9F, THR27F, THR8E, TYR14E, TYR16F, TYR19E, TYR26F, VAL12F, VAL18F, VAL3E
• E-I: GLU17I, LEU13E, LEU13I, LEU16E, TYR14I
• E-J: ALA14J, CYS11E, CYS19J, GLU21J, GLY20J, ILE10E, LEU13E, LEU15J, LEU16E, LEU17J, SER12E, TYR16J, VAL18J
• E-L: ASN21E, CYS20E, PHE25L, PRO28L, THR27L, TYR16L, TYR26L, VAL3E
• F-I: ALA14F, ARG22F, CYS11I, CYS19F, GLU13F, GLU21F, GLY20F, ILE10I, LEU13I, LEU15F, LEU16I, LEU17F, SER12I, TYR14I, TYR16F, VAL18F
• F-J: ALA14F, ALA14J, CYS19F, GLU13F, GLU13J, HIS10F, HIS10J, LEU11F, LEU11J, LEU15F, LEU15J, LEU17F, LEU17J, SER9J, TYR16F, TYR16J, VAL18F, VAL18J
• F-K: ASN21K, CYS20K, ILE2K, PHE25F, PRO28F, THR27F, TYR16F, TYR19K, TYR26F, VAL3K
• F-L: ALA14F, ALA14L, ARG22F, ARG22L, ASN3F, ASN3L, CYS19F, CYS19L, CYS7F, CYS7L, GLN4F, GLN4L, GLU13F, GLU13L, GLU21F, GLU21L, GLY20F, GLY20L, GLY23F, GLY23L, GLY8F, GLY8L, HIS10F, HIS10L, HIS5F, HIS5L, LEU11F, LEU11L, LEU15F, LEU15L, LEU17F, LEU17L, LEU6F, LEU6L, LYS29F, PHE1L, PHE24F, PHE24L, PHE25F, PHE25L, PRO28F, PRO28L, SER9F, SER9L, THR27F, THR27L, TYR16F, TYR16L, TYR26F, TYR26L, VAL12F, VAL12L, VAL18F, VAL18L, VAL2F, VAL2L
• 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, SER9G, SER9H, THR27H, THR8G, TYR14G, TYR16H, TYR19G, TYR26H, VAL12H, VAL18H, VAL3G
• G-J: ASN3J, CYS11G, CYS6G, CYS7G, GLN4J, GLN5G, HIS5J, ILE10G, LEU13G, LEU16G, LEU6J, PHE1J, SER9G, THR8G, VAL2J, VAL3G
• H-J: ALA14H, ASN3H, ASN3J, CYS7H, CYS7J, GLN4H, GLU13H, GLU13J, GLY8H, GLY8J, HIS10H, HIS10J, HIS5H, HIS5J, LEU11H, LEU6H, LEU6J, PHE1H, PHE1J, SER9H, SER9J, VAL2H, VAL2J
• H-K: ASN3H, CYS11K, CYS6K, CYS7K, GLN4H, GLN5K, HIS5H, ILE10K, LEU13K, LEU16K, LEU6H, PHE1H, SER12K, SER9K, THR8K, VAL2H, VAL3K
• H-L: ALA14L, ASN3H, ASN3L, CYS7H, CYS7L, GLN4L, GLU13H, GLU13L, GLY8H, GLY8L, HIS10H, HIS10L, HIS5H, HIS5L, LEU11H, LEU11L, LEU6H, LEU6L, PHE1H, PHE1L, SER9H, SER9L, VAL2H, VAL2L
• 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, PHE24J, PHE25J, PRO28J, SER12I, SER9I, SER9J, THR27J, THR8I, TYR14I, TYR16J, TYR19I, TYR26J, VAL12J, VAL18J, VAL3I
• I-L: ASN3L, CYS11I, CYS6I, CYS7I, GLN4L, GLN5I, HIS5L, ILE10I, LEU13I, LEU16I, LEU6L, PHE1L, SER12I, SER9I, THR8I, VAL2L, VAL3I
• J-L: ALA14J, ASN3J, ASN3L, CYS7J, CYS7L, GLN4J, GLU13J, GLU13L, GLY8J, GLY8L, HIS10J, HIS10L, HIS5J, HIS5L, LEU11J, LEU11L, LEU6J, LEU6L, SER9J, SER9L, 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, PHE1L, PHE24L, PHE25L, PRO28L, SER12K, SER9K, SER9L, THR27L, THR8K, TYR14K, TYR16L, TYR19K, TYR26L, VAL12L, VAL18L, VAL3K