1WAV

crystal structure of form b monoclinic crystal of insulin

• Total interactions analyzed: 66
• Total true interactions: 39
• Strongest Interaction:
  • Chains: F-H
  • Int. Res.: 55
  • Norm. En. per Res.: -4.5329
• 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	-26.9346	-15.1646	609.775	567.6757	48	27	8	6705	1	4	2
A-D	0.0	0.0	-0.3879	-0.3879	13	0	0	96	0	0	1
A-F	0.0	0.0	-34.5859	-34.5859	18	6	2	1476	0	0	0
A-G	0.0	0.0	-3.4049	-3.4049	7	0	1	212	0	0	1
A-H	0.0	0.0	-8.0667	-8.0667	13	0	2	397	0	0	0
B-C	0.0	0.0	-0.2412	-0.2412	7	0	0	50	0	0	0
B-D	-36.7678	-7.0927	-186.696	-230.5565	57	12	7	6391	1	8	6
B-F	0.0	10.5446	-24.7549	-14.2103	21	2	1	1047	0	3	3
B-G	0.0	0.0	-9.5351	-9.5351	12	1	0	503	0	0	0
B-H	0.0	9.5459	-16.8515	-7.3056	18	1	3	925	0	2	2
B-I	-10.1987	0.0	-42.5406	-52.7393	17	7	2	1518	0	0	0
B-J	0.0	10.2111	-30.4933	-20.2822	21	2	1	1343	0	3	3
C-D	0.0	-22.1337	1582.42	1560.2863	48	16	10	6535	1	3	2
C-I	0.0	0.0	-1.007	-1.007	8	0	0	161	0	0	0
C-J	0.0	0.0	-9.0838	-9.0838	14	2	1	476	0	0	0
C-L	0.0	0.0	-36.6174	-36.6174	17	1	1	1544	0	0	0
D-G	-2.9017	0.0	-32.2649	-35.1666	15	1	1	1351	0	0	0
D-H	0.0	9.6761	-25.9625	-16.2864	21	1	1	1191	0	3	3
D-I	0.0	0.0	-9.096	-9.096	14	0	2	518	0	0	0
D-J	0.0	8.9466	-15.6186	-6.672	16	0	3	937	0	2	2
D-L	0.0	11.6248	-24.6005	-12.9757	21	1	1	1090	0	3	4
E-F	-16.4824	-14.7814	1565.01	1533.7461	50	18	9	6343	0	2	2
E-H	0.0	0.0	-7.3808	-7.3808	12	0	0	255	0	0	0
E-J	-12.8741	0.0	-49.1369	-62.011	17	3	1	1548	0	0	0
E-K	0.0	0.0	-2.844	-2.844	4	0	0	159	0	0	0
E-L	0.0	0.0	-4.3521	-4.3521	12	0	0	387	0	0	0
F-G	0.0	0.0	-3.019	-3.019	9	0	0	173	0	0	0
F-H	-46.9343	-4.4364	-197.94	-249.3107	55	11	7	6810	1	8	6
F-J	0.0	10.3194	-40.783	-30.4636	25	4	0	1541	0	3	3
F-K	0.0	0.0	-3.0823	-3.0823	11	0	0	338	0	0	0
F-L	0.0	16.0508	-14.0246	2.0261	17	0	3	890	0	2	2
G-H	-32.2896	-18.0169	634.287	583.9805	48	23	8	6300	1	4	2
H-K	-17.7525	0.0	-36.4033	-54.1558	16	3	2	1506	0	1	0
H-L	0.0	10.7953	-23.4656	-12.6703	20	0	1	1095	0	3	3
I-J	-31.7324	0.0	729.815	698.0826	49	19	8	5773	0	3	1
I-L	0.0	0.0	-8.6013	-8.6013	9	0	0	257	0	0	0
J-K	0.0	0.0	-0.8643	-0.8643	10	0	0	110	0	0	1
J-L	-42.2165	0.3938	-195.544	-237.3666	55	10	9	6892	1	8	6
K-L	-20.5101	0.0	1470.52	1450.0099	47	20	8	5322	2	4	2

Interface residues

• A-B: ALA14B, ALA30B, 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, THR8A, TYR14A, TYR16B, TYR19A, TYR26B, VAL12B, VAL18B, VAL3A
• A-D: ASN21A, CYS7A, GLU21D, GLY1A, GLY23D, ILE2A, PHE24D, PHE25D, PRO28D, THR27D, TYR16D, TYR26D, VAL3A
• A-F: ASN3F, CYS11A, CYS6A, CYS7A, GLN4F, GLN5A, GLU4A, HIS5F, ILE10A, LEU13A, LEU16A, LEU6F, PHE1F, SER12A, SER9A, THR8A, VAL2F, VAL3A
• A-G: GLU17A, GLU17G, LEU13A, LEU13G, LEU16G, TYR14A, TYR14G
• A-H: ALA14H, CYS11A, CYS19H, GLU13H, GLY20H, ILE10A, LEU13A, LEU15H, LEU16A, LEU17H, SER12A, TYR16H, VAL18H
• B-C: ASN21C, LYS29B, PHE25B, THR27B, TYR16B, TYR26B, VAL3C
• B-D: ALA14B, ALA14D, ALA30B, 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, PHE24B, PHE24D, PHE25B, PHE25D, PRO28B, PRO28D, SER9B, SER9D, THR27B, THR27D, TYR16B, TYR16D, TYR26B, TYR26D, VAL12B, VAL12D, VAL18B, VAL18D, VAL2B
• B-F: ALA14B, ASN3B, ASN3F, CYS7B, CYS7F, GLN4B, GLU13B, GLU13F, GLY8B, GLY8F, HIS10B, HIS10F, HIS5B, HIS5F, LEU11B, LEU11F, LEU6B, LEU6F, SER9B, SER9F, VAL2F
• B-G: ALA14B, CYS11G, CYS19B, GLY20B, ILE10G, LEU13G, LEU15B, LEU16G, LEU17B, SER12G, TYR16B, VAL18B
• B-H: ALA14B, ALA14H, CYS19H, GLU13B, GLU13H, HIS10B, HIS10H, LEU11B, LEU11H, LEU15B, LEU15H, LEU17B, LEU17H, TYR16B, TYR16H, VAL12B, VAL18B, VAL18H
• B-I: ASN3B, CYS11I, CYS6I, CYS7I, GLN4B, GLN5I, HIS5B, ILE10I, LEU13I, LEU16I, LEU6B, PHE1B, SER12I, SER9I, THR8I, VAL2B, VAL3I
• B-J: ALA14J, ASN3B, ASN3J, CYS7B, CYS7J, GLN4J, GLU13B, GLU13J, GLY8J, HIS10B, HIS10J, HIS5B, HIS5J, LEU11J, LEU6B, LEU6J, PHE1J, SER9B, SER9J, VAL2B, VAL2J
• C-D: ALA14D, ALA30D, 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, PHE1D, PHE24D, PHE25D, PRO28D, SER12C, THR27D, THR8C, TYR14C, TYR16D, TYR19C, TYR26D, VAL12D, VAL18D, VAL3C
• C-I: CYS20I, GLU17C, GLU17I, LEU13C, LEU13I, LEU16C, TYR14C, TYR14I
• C-J: ALA14J, ARG22J, CYS19J, GLU21J, GLY20J, ILE10C, LEU13C, LEU15J, LEU16C, LEU17J, SER12C, TYR14C, TYR16J, VAL18J
• C-L: ASN3L, CYS11C, CYS6C, CYS7C, GLN4L, GLN5C, HIS5L, ILE10C, LEU13C, LEU16C, LEU6L, PHE1L, SER12C, SER9C, THR8C, VAL2L, VAL3C
• D-G: ASN3D, CYS11G, CYS6G, CYS7G, GLN4D, HIS5D, ILE10G, LEU13G, LEU16G, LEU6D, LYS29D, PHE1D, SER9G, THR8G, VAL2D
• D-H: ALA14H, ASN3D, ASN3H, CYS7D, CYS7H, GLN4H, GLU13D, GLU13H, GLY8D, GLY8H, HIS10D, HIS10H, HIS5D, HIS5H, LEU11H, LEU6D, LEU6H, SER9D, SER9H, VAL2D, VAL2H
• D-I: ALA14D, ARG22D, CYS11I, CYS19D, GLU21D, GLY20D, ILE10I, LEU13I, LEU16I, LEU17D, SER12I, TYR14I, TYR16D, VAL18D
• D-J: ALA14D, ALA14J, 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, GLY8L, HIS10D, HIS10L, HIS5D, HIS5L, LEU11D, LEU11L, LEU6D, LEU6L, SER9D, SER9L, VAL2L
• E-F: ALA14F, ALA30F, 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, PHE1F, PHE24F, PHE25F, PRO28F, SER12E, SER9E, SER9F, THR27F, THR8E, TYR14E, TYR16F, TYR19E, TYR26F, VAL12F, VAL18F, VAL3E
• E-H: ASN21E, CYS20E, ILE2E, LYS29H, PHE24H, PHE25H, PRO28H, THR27H, TYR16H, TYR19E, TYR26H, VAL3E
• E-J: ASN3J, CYS11E, CYS6E, CYS7E, GLN4J, GLN5E, GLU4E, HIS5J, ILE10E, LEU13E, LEU16E, LEU6J, PHE1J, SER9E, THR8E, VAL2J, VAL3E
• E-K: LEU13E, LEU13K, LEU16E, LEU16K
• E-L: ALA14L, ARG22L, CYS11E, CYS19L, GLU21L, GLY20L, ILE10E, LEU13E, LEU16E, LEU17L, TYR16L, VAL18L
• F-G: ASN21G, ILE2G, PHE24F, PHE25F, PRO28F, THR27F, TYR16F, TYR26F, VAL3G
• F-H: ALA14F, ALA14H, ALA30F, ARG22F, ARG22H, 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, PHE24F, PHE24H, PHE25F, PHE25H, PRO28F, PRO28H, SER9F, SER9H, THR27F, THR27H, TYR16F, TYR16H, TYR26F, TYR26H, VAL12F, VAL12H, VAL18H, VAL2F, VAL2H
• F-J: ALA14F, ASN3F, ASN3J, CYS7F, CYS7J, GLN4F, GLU13F, GLU13J, GLY8F, GLY8J, HIS10F, HIS10J, HIS5F, HIS5J, LEU11F, LEU11J, LEU6F, LEU6J, LYS29F, PHE1F, PHE1J, SER9F, SER9J, VAL2F, VAL2J
• F-K: ALA14F, CYS11K, CYS19F, GLY20F, ILE10K, LEU13K, LEU16K, LEU17F, SER12K, TYR16F, VAL18F
• F-L: ALA14F, ALA14L, GLU13F, GLU13L, HIS10F, HIS10L, LEU11F, LEU11L, LEU15F, LEU15L, LEU17F, LEU17L, TYR16F, TYR16L, VAL12F, VAL18F, VAL18L
• G-H: ALA14H, ALA30H, 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, THR27H, THR8G, TYR14G, TYR16H, TYR19G, TYR26H, VAL12H, VAL18H, VAL3G
• H-K: ASN3H, CYS11K, CYS6K, CYS7K, GLN4H, GLN5K, HIS5H, ILE10K, LEU16K, LEU6H, PHE1H, SER12K, SER9K, THR8K, VAL2H, VAL3K
• H-L: ALA14L, ASN3H, ASN3L, CYS7H, CYS7L, GLN4L, GLU13H, GLU13L, GLY8H, GLY8L, HIS10H, HIS10L, HIS5H, HIS5L, LEU11L, LEU6H, LEU6L, SER9H, SER9L, VAL2H
• I-J: ALA14J, ALA30J, 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, SER9I, SER9J, THR27J, THR8I, TYR14I, TYR16J, TYR19I, TYR26J, VAL12J, VAL18J, VAL3I
• I-L: ASN21I, CYS20I, LYS29L, PHE25L, PRO28L, THR27L, TYR16L, TYR26L, VAL3I
• J-K: ASN21K, ILE2K, LYS29J, PHE24J, PHE25J, PRO28J, THR27J, TYR16J, TYR26J, VAL3K
• J-L: ALA14J, ALA14L, ALA30J, ALA30L, ARG22J, ARG22L, 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, PHE24J, PHE24L, PHE25J, PHE25L, PRO28J, PRO28L, SER9J, SER9L, THR27J, THR27L, TYR16J, TYR16L, TYR26J, TYR26L, VAL12J, VAL12L, VAL18J, VAL2J, VAL2L
• K-L: ALA14L, ALA30L, ARG22L, ASN18K, ASN21K, ASN3L, CYS11K, CYS19L, CYS20K, CYS6K, CYS7K, CYS7L, GLN15K, GLN4L, GLN5K, GLU13L, GLU17K, GLU21L, GLU4K, GLY1K, GLY20L, GLY23L, GLY8L, HIS10L, HIS5L, ILE2K, LEU11L, LEU13K, LEU15L, LEU16K, LEU17L, LEU6L, LYS29L, PHE24L, PHE25L, PRO28L, SER12K, SER9L, THR27L, THR8K, TYR14K, TYR16L, TYR19K, TYR26L, VAL12L, VAL18L, VAL3K