3ZQR

nmepheb25 insulin analogue crystal structure

• Total interactions analyzed: 66
• Total true interactions: 41
• Strongest Interaction:
  • Chains: J-L
  • Int. Res.: 53
  • Norm. En. per Res.: -4.1453
• Hub Node: B(8)

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	-16.8418	-36.5992	1304.82	1251.3791	48	16	8	5420	2	3	2
A-D	0.0	0.0	-2.3674	-2.3674	8	0	0	145	0	0	0
A-F	0.0	0.0	-34.3775	-34.3775	16	0	1	1117	0	0	0
A-G	0.0	0.0	-3.43	-3.43	8	0	1	280	0	0	1
A-H	0.0	0.0	-10.4231	-10.4231	12	0	0	656	0	0	0
B-C	0.0	0.0	-0.165	-0.165	7	0	0	50	0	0	1
B-D	-12.1006	13.1443	-140.606	-139.5623	53	6	4	5032	0	7	5
B-F	0.0	10.9954	-22.2909	-11.2955	21	2	1	1020	0	3	3
B-G	0.0	0.0	-12.3921	-12.3921	15	0	2	597	0	0	0
B-H	0.0	14.9765	-14.2974	0.6791	17	0	3	866	0	2	2
B-I	-8.4866	0.0	-46.0866	-54.5732	15	1	1	1521	0	0	0
B-J	0.0	10.8864	-23.8583	-12.9718	20	1	1	1037	0	3	3
B-L	0.0	0.0	-0.0083	-0.0083	3	0	0	2	0	2	1
C-D	-21.1044	-30.57	1582.13	1530.4556	46	13	7	5306	2	2	2
C-I	0.0	0.0	-1.7207	-1.7207	7	0	1	219	0	0	1
C-J	0.0	0.0	-13.0405	-13.0405	14	1	1	653	0	0	0
C-L	0.0	0.0	-22.1262	-22.1262	17	0	1	997	0	0	0
D-G	0.0	0.0	-32.2982	-32.2982	18	0	1	1296	0	0	0
D-H	0.0	11.5571	-26.4382	-14.8811	22	1	1	1189	0	3	3
D-I	0.0	0.0	-10.589	-10.589	13	0	0	640	0	0	0
D-J	0.0	9.7385	-16.0939	-6.3554	17	0	3	884	0	2	2
D-L	0.0	11.1072	-25.6053	-14.4981	22	1	1	1126	0	3	3
E-F	-7.6387	-27.0495	1211.66	1176.9718	46	14	7	5026	1	2	2
E-H	0.0	0.0	-2.0401	-2.0401	7	0	0	129	0	0	1
E-J	0.0	0.0	-27.3279	-27.3279	16	0	1	1027	0	0	0
E-K	0.0	0.0	-0.7143	-0.7143	6	0	1	105	0	0	1
E-L	0.0	0.0	-4.3269	-4.3269	12	0	2	459	0	0	0
F-G	0.0	0.0	-1.1296	-1.1296	5	0	0	99	0	0	1
F-H	-34.3446	17.969	-168.26	-184.6356	51	4	5	5516	0	6	4
F-J	0.0	11.9444	-25.0449	-13.1005	21	2	1	1146	0	3	3
F-K	0.0	0.0	-8.6402	-8.6402	14	0	0	559	0	0	0
F-L	0.0	11.8389	-15.6084	-3.7695	18	0	3	882	0	2	2
G-H	-20.5008	-17.5724	1306.19	1268.1168	46	14	8	5580	1	2	2
H-J	0.0	0.0	-0.0587	-0.0587	4	0	0	7	0	2	1
H-K	0.0	0.0	-24.3534	-24.3534	15	0	1	1058	0	0	0
H-L	-5.0936	10.9799	-30.0499	-24.1635	20	2	1	1269	0	3	4
I-J	-16.0674	-21.5422	1229.59	1191.9804	46	12	7	5075	1	3	2
I-L	0.0	0.0	-3.5229	-3.5229	6	0	0	181	0	0	0
J-K	0.0	0.0	-0.718	-0.718	8	0	0	111	0	0	1
J-L	-37.1249	7.532	-190.108	-219.701	53	5	6	6175	0	7	5
K-L	-14.7364	-22.1659	1335.99	1299.0878	47	17	7	5630	1	3	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, LYS29B, PHE1B, PHE24B, PRO28B, SER12A, SER9A, SER9B, THR27B, THR8A, TYR14A, TYR16B, TYR19A, TYR26B, VAL12B, VAL18B, VAL3A
• A-D: ASN21A, CYS7A, ILE2A, PRO28D, THR27D, TYR16D, TYR26D, VAL3A
• A-F: ASN3F, CYS11A, CYS6A, CYS7A, GLN4F, GLN5A, HIS5F, ILE10A, LEU13A, LEU16A, LEU6F, PHE1F, SER9A, THR8A, VAL2F, VAL3A
• A-G: GLU17A, GLU17G, LEU13A, LEU13G, LEU16A, LEU16G, TYR14A, TYR14G
• A-H: ALA14H, CYS11A, CYS19H, GLU21H, GLY20H, ILE10A, LEU13A, LEU16A, LEU17H, SER12A, TYR16H, VAL18H
• B-C: ASN21C, CYS7C, ILE2C, THR27B, TYR16B, TYR26B, VAL3C
• B-D: ALA14B, ALA14D, 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, PHE24B, PHE24D, PRO28B, PRO28D, SER9B, SER9D, THR27B, THR27D, TYR16B, TYR16D, TYR26B, TYR26D, VAL12B, VAL12D, VAL18B, VAL18D, VAL2B, VAL2D
• B-F: ALA14B, ASN3B, ASN3F, CYS7B, CYS7F, GLN4B, GLU13B, GLU13F, GLY8B, GLY8F, HIS10B, HIS10F, HIS5B, HIS5F, LEU11B, LEU6B, LEU6F, PHE1F, SER9B, SER9F, VAL2F
• B-G: ALA14B, ARG22B, CYS11G, CYS19B, GLU13B, 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, VAL12H, VAL18B, VAL18H
• B-I: ASN3B, CYS11I, CYS6I, CYS7I, GLN4B, GLN5I, HIS5B, ILE10I, LEU16I, LEU6B, PHE1B, SER9I, THR8I, VAL2B, VAL3I
• B-J: ALA14J, ASN3B, ASN3J, CYS7B, CYS7J, GLN4J, GLU13B, GLU13J, GLY8B, GLY8J, HIS10B, HIS10J, HIS5B, HIS5J, LEU11J, LEU6B, LEU6J, SER9B, SER9J, VAL2B
• B-L: GLU13B, GLU13L, HIS10L
• 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, PHE24D, PRO28D, SER12C, SER9C, SER9D, THR27D, THR8C, TYR14C, TYR16D, TYR19C, TYR26D, VAL12D, VAL18D, VAL3C
• C-I: CYS20I, GLU17C, GLU17I, LEU13C, LEU13I, LEU16I, TYR14C
• C-J: ALA14J, ARG22J, CYS11C, CYS19J, GLU21J, GLY20J, ILE10C, LEU13C, LEU15J, LEU16C, LEU17J, SER12C, TYR16J, VAL18J
• C-L: ASN3L, CYS11C, CYS6C, CYS7C, GLN4L, GLN5C, HIS5L, ILE10C, LEU13C, LEU16C, LEU6L, LYS29L, SER12C, SER9C, THR8C, VAL2L, VAL3C
• D-G: ASN3D, CYS11G, CYS6G, CYS7G, GLN4D, GLN5G, GLU4G, HIS5D, ILE10G, LEU13G, LEU16G, LEU6D, PHE1D, SER12G, SER9G, THR8G, VAL2D, VAL3G
• D-H: ALA14H, ASN3D, ASN3H, CYS7D, CYS7H, GLN4H, GLU13D, GLU13H, GLY8D, GLY8H, HIS10D, HIS10H, HIS5D, HIS5H, LEU11D, LEU11H, LEU6D, LEU6H, SER9D, SER9H, VAL2D, VAL2H
• D-I: ALA14D, ARG22D, 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, GLY8L, HIS10D, HIS10L, HIS5D, HIS5L, LEU11D, LEU11L, LEU6D, LEU6L, SER9D, SER9L, 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, HIS5F, ILE10E, ILE2E, LEU11F, LEU13E, LEU15F, LEU16E, LEU17F, LEU6F, PHE24F, PRO28F, SER12E, SER9E, SER9F, THR27F, THR8E, TYR14E, TYR16F, TYR19E, TYR26F, VAL12F, VAL18F, VAL3E
• E-H: ASN21E, ILE2E, PRO28H, THR27H, TYR16H, TYR26H, VAL3E
• E-J: ASN3J, CYS11E, CYS6E, CYS7E, GLN4J, GLN5E, HIS5J, ILE10E, LEU13E, LEU16E, LEU6J, SER12E, SER9E, THR8E, VAL2J, VAL3E
• E-K: GLU17E, GLU17K, LEU13E, LEU13K, LEU16E, TYR14E
• E-L: CYS11E, CYS19L, GLU21L, GLY20L, ILE10E, LEU13E, LEU16E, LEU17L, SER12E, TYR14E, TYR16L, VAL18L
• F-G: ASN21G, THR27F, TYR16F, TYR26F, VAL3G
• F-H: ALA14F, ALA14H, ARG22F, ARG22H, ASN3F, ASN3H, 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, PHE24F, PHE24H, PRO28F, PRO28H, SER9F, SER9H, THR27F, THR27H, TYR16F, TYR16H, TYR26F, TYR26H, VAL12F, VAL12H, VAL18F, VAL18H, VAL2H
• F-J: ALA14F, ASN3F, ASN3J, CYS7F, CYS7J, GLN4F, GLU13F, GLU13J, GLY8F, GLY8J, HIS10F, HIS10J, HIS5F, HIS5J, LEU11F, LEU11J, LEU6F, LEU6J, SER9F, SER9J, VAL2J
• F-K: ALA14F, ARG22F, CYS11K, CYS19F, GLU21F, GLY20F, ILE10K, LEU13K, LEU15F, LEU16K, LEU17F, SER12K, 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, HIS5H, ILE10G, ILE2G, LEU11H, LEU13G, LEU15H, LEU16G, LEU17H, LEU6H, PHE24H, PRO28H, SER12G, SER9G, SER9H, THR27H, THR8G, TYR14G, TYR16H, TYR19G, TYR26H, VAL12H, VAL18H, VAL3G
• H-J: GLU13H, GLU13J, HIS10H, HIS10J
• H-K: ASN3H, CYS11K, CYS6K, CYS7K, GLN4H, GLN5K, HIS5H, ILE10K, LEU13K, LEU16K, LEU6H, SER9K, THR8K, VAL2H, VAL3K
• H-L: ALA14L, ASN3H, ASN3L, CYS7H, CYS7L, GLN4L, GLU13H, GLU13L, GLY8L, HIS10H, HIS10L, HIS5H, HIS5L, LEU11L, LEU6H, LEU6L, 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, LYS29J, PHE24J, PRO28J, SER12I, SER9I, SER9J, THR27J, THR8I, TYR14I, TYR19I, TYR26J, VAL12J, VAL18J, VAL3I
• I-L: ASN21I, PRO28L, THR27L, TYR16L, TYR26L, VAL3I
• J-K: ASN21K, GLU21J, ILE2K, PRO28J, THR27J, TYR16J, TYR26J, VAL3K
• J-L: ALA14J, ALA14L, ARG22J, ARG22L, ASN3J, 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, PRO28J, PRO28L, SER9J, SER9L, THR27J, THR27L, TYR16J, TYR16L, TYR26J, TYR26L, 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, HIS5L, ILE10K, ILE2K, LEU11L, LEU13K, LEU15L, LEU16K, LEU17L, LEU6L, LYS29L, PHE24L, PRO28L, SER12K, SER9K, SER9L, THR27L, THR8K, TYR14K, TYR16L, TYR19K, TYR26L, VAL12L, VAL18L, VAL3K