7INS

structure of porcine insulin cocrystallized with clupeine z

• Total interactions analyzed: 21
• Total true interactions: 15
• Strongest Interaction:
  • Chains: B-G
  • Int. Res.: 43
  • Norm. En. per Res.: -3.3744
• Hub Node: B(4)

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	-12.4212	-18.9814	538.515	507.1124	50	17	7	6193	1	3	2
A-D	0.0	0.0	-14.4239	-14.4239	18	6	2	1371	0	0	0
A-G	-6.6663	0.0	-11.9642	-18.6305	31	22	0	3594	0	0	0
B-D	0.0	14.0046	-22.1486	-8.144	22	4	1	1110	0	3	4
B-E	-2.8486	0.0	-48.0154	-50.864	17	6	2	1628	0	0	0
B-F	0.0	10.8363	-23.5351	-12.6988	21	2	1	1115	0	3	4
B-G	-52.8197	0.0	-92.2784	-145.0981	43	53	0	5552	0	0	0
C-D	0.0	-6.919	727.001	720.082	51	16	7	6190	0	3	1
C-F	0.0	0.0	-37.9478	-37.9478	16	6	2	1402	0	0	0
C-G	0.0	0.0	-5.1403	-5.1403	8	4	0	338	0	0	0
D-F	0.0	11.5892	-25.3075	-13.7183	22	1	1	1189	0	3	3
D-G	-69.2057	0.0	296.887	227.6813	30	132	0	6627	0	0	0
E-F	-15.2585	-11.7602	-117.809	-144.8276	49	17	8	5870	0	3	2
E-G	-15.1295	0.0	246.626	231.4965	17	52	0	1595	0	0	0
F-G	-16.5387	0.0	-66.7058	-83.2445	29	23	0	3022	0	0	0

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, PHE1B, PHE24B, PHE25B, PRO28B, SER12A, SER9A, SER9B, THR27B, THR8A, TYR14A, TYR16B, TYR19A, TYR26B, VAL12B, VAL18B, VAL3A
• A-D: ALA30D, ASN3D, CYS11A, CYS6A, CYS7A, GLN4D, GLN5A, HIS5D, ILE10A, LEU13A, LEU16A, LEU6D, PHE1D, SER12A, SER9A, THR8A, VAL2D, VAL3A
• A-G: ASN18A, CYS11A, CYS6A, CYS7A, GLN15A, GLN5A, GLU4A, GLY1A, ILE10A, ILE2A, LEU13A, LEU16A, SER12A, SER9A, THR8A, TYR14A, TYR19A, UNK11G, UNK20G, UNK21G, UNK22G, UNK23G, UNK25G, UNK33G, UNK35G, UNK41G, UNK43G, UNK5G, UNK6G, UNK8G, 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, GLU4E, HIS5B, ILE10E, LEU13E, LEU16E, LEU6B, PHE1B, SER9E, THR8E, VAL2B, VAL3E
• B-F: ALA14F, ASN3B, ASN3F, CYS7B, CYS7F, GLN4F, GLU13B, GLU13F, GLY8B, GLY8F, HIS10B, HIS10F, HIS5B, HIS5F, LEU11F, LEU6B, LEU6F, SER9B, SER9F, VAL2B, VAL2F
• B-G: ALA14B, ALA30B, ARG22B, ASN3B, CYS19B, CYS7B, GLN4B, GLU13B, GLU21B, GLY20B, GLY23B, GLY8B, HIS10B, HIS5B, LEU11B, LEU15B, LEU17B, LEU6B, LYS29B, PHE1B, PHE24B, PHE25B, PRO28B, SER9B, THR27B, TYR16B, TYR26B, UNK11G, UNK20G, UNK21G, UNK22G, UNK23G, UNK25G, UNK29G, UNK33G, UNK35G, UNK39G, UNK41G, UNK6G, UNK8G, VAL12B, VAL18B, VAL2B
• 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, SER9C, SER9D, THR27D, THR8C, TYR14C, TYR16D, TYR19C, TYR26D, VAL12D, VAL18D, VAL2D, VAL3C
• C-F: ASN3F, CYS11C, CYS6C, CYS7C, GLN4F, GLN5C, GLU4C, HIS5F, ILE10C, LEU16C, LEU6F, PHE1F, SER9C, THR8C, VAL2F, VAL3C
• C-G: CYS7C, GLU4C, ILE2C, UNK35G, UNK41G, UNK43G, UNK6G, VAL3C
• D-F: ALA14D, ASN3D, ASN3F, CYS7D, CYS7F, GLN4D, GLU13D, GLU13F, GLY8D, GLY8F, HIS10D, HIS10F, HIS5D, HIS5F, LEU11D, LEU11F, LEU6D, LEU6F, SER9D, SER9F, VAL2D, VAL2F
• D-G: ALA30D, ASN3D, CYS7D, GLN4D, GLU13D, GLY8D, HIS10D, HIS5D, LEU11D, LEU6D, LYS29D, PHE1D, PHE24D, PRO28D, SER9D, THR27D, TYR26D, UNK20G, UNK21G, UNK25G, UNK33G, UNK35G, UNK39G, UNK41G, UNK43G, UNK5G, UNK6G, UNK8G, VAL12D, VAL2D
• 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, PHE24F, PHE25F, PRO28F, SER12E, SER9E, SER9F, THR27F, THR8E, TYR14E, TYR16F, TYR19E, TYR26F, VAL12F, VAL18F, VAL3E
• E-G: CYS6E, CYS7E, GLN5E, GLU4E, GLY1E, ILE10E, ILE2E, LEU13E, LEU16E, SER9E, THR8E, TYR19E, UNK27G, UNK33G, UNK39G, UNK8G, VAL3E
• F-G: ALA14F, ALA30F, ASN3F, CYS7F, GLN4F, GLU13F, GLY8F, HIS10F, HIS5F, LEU11F, LEU15F, LEU17F, LEU6F, LYS29F, PRO28F, SER9F, THR27F, TYR16F, TYR26F, UNK27G, UNK33G, UNK35G, UNK39G, UNK41G, UNK43G, UNK8G, VAL12F, VAL18F, VAL2F