2OMH

structure of human insulin cocrystallized with arg-12 peptide in presence of urea

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: C-F
  • Int. Res.: 16
  • Norm. En. per Res.: -3.365
• Hub Node: A(3)

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	-14.2385	-32.4127	1298.89	1252.2388	48	13	8	5965	2	2	2
A-D	0.0	0.0	-39.0535	-39.0535	16	0	2	1470	0	0	0
A-E	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
B-D	0.0	11.5144	-28.823	-17.3086	23	1	1	1230	0	3	3
B-E	0.0	0.0	-39.163	-39.163	17	0	2	1459	0	0	0
B-F	0.0	11.4777	-25.201	-13.7233	23	1	1	1112	0	3	4
C-D	-9.78	-14.782	1281.67	1257.108	48	16	9	5829	0	3	2
C-F	-8.5398	0.0	-45.3003	-53.8401	16	0	1	1508	0	0	0
D-F	0.0	11.3811	-25.5151	-14.134	21	3	1	1096	0	3	3
E-F	-10.4099	-26.2204	1264.84	1228.2097	48	21	9	5576	2	1	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, PHE1B, 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, SER9A, THR8A, VAL2D, VAL3A
• A-E: ILE10E, VAL3A
• B-D: ALA14B, ASN3B, ASN3D, CYS7B, CYS7D, GLN4B, GLU13B, GLU13D, GLY8B, GLY8D, HIS10B, HIS10D, HIS5B, HIS5D, LEU11B, LEU11D, LEU6B, LEU6D, SER9B, SER9D, VAL12D, 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, SER9B, SER9F, VAL12B, VAL2B, VAL2F
• 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
• D-F: ALA14D, ASN3D, ASN3F, CYS7D, CYS7F, GLN4D, GLU13D, GLU13F, GLY8D, GLY8F, HIS10D, HIS10F, HIS5D, HIS5F, LEU11D, LEU11F, LEU6D, LEU6F, SER9D, SER9F, VAL2F
• 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, SER9F, THR27F, THR8E, TYR14E, TYR16F, TYR19E, TYR26F, VAL12F, VAL18F, VAL3E