1OS4

dehydrated t6 human insulin at 295 k

• Total interactions analyzed: 66
• Total true interactions: 33
• Strongest Interaction:
  • Chains: F-H
  • Int. Res.: 42
  • Norm. En. per Res.: -4.6442
• Hub Node: B(6)

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	-48.3156	0.0	1298.62	1250.3044	49	18	9	7585	0	4	1
A-D	0.0	0.0	6.6052	6.6052	7	3	0	226	0	0	1
A-K	0.0	0.0	-3.0553	-3.0553	7	0	0	199	0	0	0
A-L	0.0	0.0	-22.974	-22.974	13	0	0	960	0	0	0
B-C	0.0	0.0	-2.5662	-2.5662	10	0	0	218	0	0	1
B-D	-46.7155	0.0	-141.83	-188.5455	43	14	6	5748	0	3	3
B-F	0.0	8.5694	-7.7932	0.7763	10	1	0	228	0	2	3
B-J	0.0	9.6662	-7.7892	1.877	10	1	0	227	0	2	3
B-K	-4.5364	0.0	-29.563	-34.0994	16	1	1	1011	0	0	0
B-L	-12.1151	-5.0701	-98.259	-115.4443	38	8	5	4307	0	5	3
C-D	-26.2903	-16.1577	1345.19	1302.742	48	20	11	8636	0	2	1
C-E	0.0	0.0	-7.3037	-7.3037	6	0	0	241	0	0	0
C-F	0.0	0.0	-29.1293	-29.1293	17	0	1	1058	0	0	0
D-E	0.0	0.0	-22.1988	-22.1988	15	0	0	865	0	0	0
D-F	-16.4105	0.0	-92.6242	-109.0347	40	2	5	4160	0	6	4
D-H	0.0	8.5076	-7.799	0.7086	10	1	0	223	0	2	3
D-L	0.0	9.2922	-8.2994	0.9928	10	1	0	225	0	2	3
E-F	-39.0426	0.0	1371.61	1332.5674	48	21	9	7365	0	3	1
E-H	0.0	0.0	-5.0338	-5.0338	11	1	0	211	0	0	1
F-G	0.0	0.0	-4.988	-4.988	8	0	0	261	0	0	1
F-H	-42.5438	0.0	-152.513	-195.0568	42	5	6	5390	0	2	2
F-J	0.0	8.6068	-7.0629	1.544	10	1	0	206	0	2	3
G-H	-17.2193	-16.7327	1337.17	1303.2179	47	24	8	7743	0	2	1
G-I	0.0	0.0	-4.4443	-4.4443	8	0	1	269	0	0	0
G-J	-8.9382	0.0	-30.9595	-39.8977	17	2	1	1035	0	0	0
H-I	0.0	0.0	-21.5728	-21.5728	15	0	0	861	0	0	0
H-J	-6.3175	-2.5787	-93.9279	-102.8241	38	9	5	4365	0	6	3
H-L	0.0	7.4713	-6.9895	0.4818	10	0	0	213	0	2	3
I-J	-53.8121	0.0	1285.61	1231.7979	48	22	9	7440	0	3	2
I-L	0.0	0.0	-5.4409	-5.4409	11	1	0	220	0	0	1
J-K	0.0	0.0	-4.2086	-4.2086	8	0	0	252	0	0	1
J-L	-37.5832	34.8508	-171.618	-174.3503	42	10	6	5704	0	4	2
K-L	-19.3279	-11.8006	1230.63	1199.5014	48	20	11	8593	0	2	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, PHE1B, PHE24B, PHE25B, PRO28B, SER12A, SER9A, THR27B, THR8A, TYR14A, TYR16B, TYR19A, TYR26B, VAL12B, VAL18B, VAL2B, VAL3A
• A-D: ASN21A, CYS20A, PHE25D, PRO28D, THR27D, TYR19A, TYR26D
• A-K: GLU17A, GLU17K, LEU13A, LEU13K, LEU16A, TYR14A, TYR14K
• A-L: ALA14L, CYS19L, CYS20A, GLN15A, GLU17A, LEU13A, LEU16A, LEU17L, PHE1L, SER12A, TYR14A, VAL18L, VAL2L
• B-C: ASN21C, CYS20C, GLU21B, PHE25B, PRO28B, THR27B, TYR16B, TYR19C, TYR26B, VAL3C
• B-D: ALA14B, ALA14D, ARG22B, ARG22D, CYS19B, CYS19D, CYS7B, CYS7D, GLU13B, GLU13D, GLU21B, GLU21D, GLY20B, GLY20D, GLY23B, GLY23D, GLY8B, GLY8D, HIS10B, HIS10D, LEU11B, LEU11D, LEU15B, LEU15D, LEU17B, LEU17D, LYS29B, PHE24B, PHE24D, PHE25B, PHE25D, PRO28B, PRO28D, SER9B, SER9D, THR27B, THR27D, TYR16B, TYR16D, TYR26B, TYR26D, VAL12B, VAL12D
• B-F: CYS7B, GLN4F, GLU13B, GLU13F, GLY8B, HIS10B, HIS10F, LEU6F, SER9B, SER9F
• B-J: CYS7J, GLN4B, GLU13B, GLU13J, GLY8J, HIS10B, HIS10J, LEU6B, SER9B, SER9J
• B-K: ALA14B, ASN18K, CYS19B, CYS20K, GLN15K, GLU17K, GLY20B, LEU13K, LEU16K, LEU17B, PHE1B, SER12K, TYR14K, TYR16B, VAL18B, VAL2B
• B-L: ALA14B, ALA14L, ARG22B, ARG22L, ASN3B, ASN3L, CYS19B, CYS19L, GLN4B, GLN4L, GLU13B, GLU13L, GLU21B, GLU21L, GLY20B, GLY20L, GLY23B, GLY23L, HIS10B, HIS10L, HIS5B, HIS5L, LEU11B, LEU11L, LEU15B, LEU15L, LEU17B, LEU17L, LEU6B, LEU6L, PHE1B, PHE1L, TYR16B, TYR16L, VAL18B, VAL18L, VAL2B, VAL2L
• 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, THR27D, THR8C, TYR14C, TYR16D, TYR19C, TYR26D, VAL12D, VAL18D, VAL2D, VAL3C
• C-E: GLU17C, GLU17E, LEU13C, LEU13E, TYR14C, TYR14E
• C-F: ALA14F, ASN18C, CYS19F, CYS20C, GLN15C, GLU17C, GLY20F, LEU13C, LEU15F, LEU16C, LEU17F, PHE1F, SER12C, TYR14C, TYR16F, VAL18F, VAL2F
• D-E: ALA14D, CYS11E, CYS19D, CYS20E, GLN15E, GLU17E, LEU13E, LEU16E, LEU17D, PHE1D, SER12E, TYR14E, TYR16D, VAL18D, VAL2D
• D-F: ALA14D, ALA14F, ARG22D, ARG22F, ASN3D, ASN3F, CYS19D, CYS19F, GLN4D, GLN4F, GLU13D, GLU13F, GLU21D, GLU21F, GLY20D, GLY20F, GLY23D, GLY23F, HIS10D, HIS10F, HIS5D, HIS5F, LEU11D, LEU11F, LEU15D, LEU15F, LEU17D, LEU17F, LEU6D, LEU6F, PHE1D, PHE1F, SER9D, TYR16D, TYR16F, VAL12D, VAL18D, VAL18F, VAL2D, VAL2F
• D-H: CYS7H, GLN4D, GLU13D, GLU13H, GLY8H, HIS10D, HIS10H, LEU6D, SER9D, SER9H
• D-L: CYS7D, GLN4L, GLU13D, GLU13L, GLY8D, HIS10D, HIS10L, LEU6L, SER9D, SER9L
• 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, PHE1F, PHE24F, PHE25F, PRO28F, SER12E, SER9E, THR27F, THR8E, TYR14E, TYR16F, TYR19E, TYR26F, VAL12F, VAL18F, VAL2F, VAL3E
• E-H: ASN21E, CYS20E, CYS7E, GLY23H, PHE25H, PRO28H, THR27H, TYR16H, TYR19E, TYR26H, VAL3E
• F-G: ASN21G, CYS20G, PHE24F, PHE25F, PRO28F, THR27F, TYR19G, TYR26F
• F-H: ALA14F, ALA14H, ARG22F, ARG22H, CYS19F, CYS19H, CYS7F, CYS7H, GLU13F, GLU13H, GLU21F, GLU21H, GLY20F, GLY20H, GLY23F, GLY23H, GLY8F, GLY8H, HIS10F, HIS10H, LEU11F, LEU11H, LEU15F, LEU15H, LEU17F, LEU17H, PHE24F, PHE24H, PHE25F, PHE25H, PRO28F, PRO28H, SER9F, SER9H, THR27F, THR27H, TYR16F, TYR16H, TYR26F, TYR26H, VAL12F, VAL12H
• F-J: CYS7F, GLN4J, GLU13F, GLU13J, GLY8F, HIS10F, HIS10J, LEU6J, SER9F, SER9J
• G-H: ALA14H, ARG22H, ASN18G, ASN21G, ASN3H, CYS11G, CYS19H, CYS20G, CYS6G, CYS7G, CYS7H, GLN15G, GLN4H, GLN5G, GLU13H, GLU17G, GLU21H, GLU4G, GLY20H, GLY23H, GLY8H, HIS10H, HIS5H, ILE10G, ILE2G, LEU11H, LEU13G, LEU15H, LEU16G, LEU17H, LEU6H, PHE1H, PHE24H, PHE25H, PRO28H, SER12G, SER9G, THR27H, THR8G, TYR14G, TYR16H, TYR19G, TYR26H, VAL12H, VAL18H, VAL2H, VAL3G
• G-I: GLU17G, GLU17I, LEU13G, LEU13I, LEU16G, LEU16I, TYR14G, TYR14I
• G-J: ALA14J, ASN18G, CYS19J, CYS20G, GLN15G, GLU17G, GLY20J, LEU13G, LEU15J, LEU16G, LEU17J, PHE1J, SER12G, TYR14G, TYR16J, VAL18J, VAL2J
• H-I: ALA14H, ASN18I, CYS11I, CYS19H, CYS20I, GLN15I, GLU17I, LEU13I, LEU16I, LEU17H, PHE1H, SER12I, TYR14I, VAL18H, VAL2H
• H-J: ALA14H, ALA14J, ARG22H, ARG22J, ASN3H, ASN3J, CYS19H, CYS19J, GLN4H, GLN4J, GLU13H, GLU13J, GLU21H, GLU21J, GLY20H, GLY20J, GLY23H, GLY23J, HIS10H, HIS10J, HIS5H, HIS5J, LEU11H, LEU11J, LEU15H, LEU15J, LEU17H, LEU17J, LEU6H, LEU6J, PHE1H, PHE1J, TYR16H, TYR16J, VAL18H, VAL18J, VAL2H, VAL2J
• H-L: CYS7L, GLN4H, GLU13H, GLU13L, GLY8L, HIS10H, HIS10L, LEU6H, SER9H, SER9L
• 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, PHE1J, PHE24J, PHE25J, PRO28J, SER12I, SER9I, THR27J, THR8I, TYR14I, TYR16J, TYR19I, TYR26J, VAL12J, VAL18J, VAL2J, VAL3I
• I-L: ASN21I, CYS20I, GLU21L, GLY23L, PHE25L, PRO28L, THR27L, TYR16L, TYR19I, TYR26L, VAL3I
• J-K: ASN21K, CYS20K, PHE24J, PHE25J, PRO28J, THR27J, TYR19K, TYR26J
• J-L: ALA14J, ALA14L, ARG22J, ARG22L, CYS19J, CYS19L, CYS7J, CYS7L, GLU13J, GLU13L, GLU21J, GLU21L, GLY20J, GLY20L, GLY23J, GLY23L, GLY8J, GLY8L, HIS10J, HIS10L, LEU11J, LEU11L, LEU15J, LEU15L, LEU17J, LEU17L, PHE24J, PHE24L, PHE25J, PHE25L, PRO28J, PRO28L, SER9J, SER9L, THR27J, THR27L, TYR16J, TYR16L, TYR26J, TYR26L, VAL12J, VAL12L
• 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, THR27L, THR8K, TYR14K, TYR16L, TYR19K, TYR26L, VAL12L, VAL18L, VAL2L, VAL3K