3V1D

crystal structure of de novo designed mid1-cobalt

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 22
  • Norm. En. per Res.: -4.1436
• Hub Node: A(5)

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-C	0.0	0.0	-2.9399	-2.9399	13	0	0	313	0	1	2
A-D	0.0	0.0	-0.8313	-0.8313	8	0	0	117	0	0	0
A-E	-25.2283	11.5554	-84.8665	-98.5394	48	3	1	3643	0	13	7
A-F	-16.2701	12.2619	-171.963	-175.9712	66	11	4	6171	3	15	19
A-G	-4.1489	0.0	-11.0464	-15.1953	24	1	0	716	0	1	1
B-C	-14.4999	22.9631	-177.704	-169.2408	66	12	4	6183	3	15	19
B-G	-3.5321	-5.986	-4.2188	-13.7369	7	0	0	183	1	2	2
B-H	0.0	0.0	-0.0008	-0.0008	2	0	0	2	0	0	0
C-E	-25.6657	-0.1816	-65.3122	-91.1596	22	0	0	1985	0	10	12
C-G	-17.636	11.0689	-87.7826	-94.3497	46	3	1	3689	0	13	7
D-F	0.0	0.0	-32.6014	-32.6014	23	1	0	1455	0	0	0
D-G	-14.5604	11.6457	-167.328	-170.2427	66	13	4	6133	3	15	19
E-G	-7.3055	0.0	-25.3097	-32.6152	19	3	0	1036	0	1	2
E-H	-19.9263	23.2397	-175.694	-172.3806	64	13	4	6127	3	15	19
F-G	-11.3914	2.2139	-56.8003	-65.9778	19	4	0	1506	0	2	1

Interface residues

• A-C: ARG23C, ARG28C, ASP25C, GLN43A, GLU26C, GLU40A, GLY-1A, LEU4A, MET24C, PRO3A, SER2A, THR29C, TYR41A
• A-D: GLN43A, GLN44A, GLY-1D, GLY1D, PHE42A, SER0D, SER45A, TYR41A
• A-E: ALA18E, ALA20E, ALA21E, ALA5A, ARG23E, ARG28A, ASN10A, ASN10E, ASN33A, ASN33E, ASP25E, GLN17E, GLN31A, GLN36A, GLN43A, GLN6A, GLN6E, GLN7A, GLN7E, GLU26E, GLU32A, GLU40A, GLY-1A, GLY22E, HIS16E, HIS35A, HIS39A, ILE11A, ILE11E, ILE15E, ILE8A, LEU30A, LEU30E, LEU34A, LEU37A, LEU4A, LYS19E, LYS9E, PHE14A, PHE14E, PHE42A, PRO3A, SER13E, SER2A, THR29A, THR29E, TYR41A, VAL27E
• A-F: ALA5A, ALA5F, ARG28A, ARG28F, ASN10F, ASP46A, ASP46F, GLN31A, GLN31F, GLN36A, GLN36F, GLN43A, GLN43F, GLN44A, GLN44F, GLN6A, GLN6F, GLN7F, GLU32A, GLU32F, GLU40A, GLU40F, GLY-1A, GLY1A, HIS12A, HIS12F, HIS16A, HIS16F, HIS35A, HIS35F, HIS39A, HIS39F, ILE11A, ILE11F, ILE15A, ILE15F, ILE8A, ILE8F, LEU34A, LEU34F, LEU37A, LEU37F, LEU4A, LEU4F, LYS19A, LYS19F, LYS9A, LYS9F, MET24A, MET24F, MET38A, MET38F, PHE14F, PHE42A, PHE42F, SER0A, SER13A, SER13F, SER2A, SER2F, SER45A, SER45F, TYR41A, TYR41F, VAL27A, VAL27F
• A-G: ASP46G, GLN36A, GLN43A, GLN43G, GLN44A, GLN44G, GLU40A, GLU40G, GLY-1A, GLY-1G, GLY1A, GLY1G, HIS39A, LEU4G, PHE42A, PRO3G, SER0A, SER0G, SER2A, SER2G, SER45A, SER45G, TYR41A, TYR41G
• B-C: ALA5B, ALA5C, ARG28B, ARG28C, ASN10B, ASP46B, ASP46C, GLN31B, GLN31C, GLN36B, GLN36C, GLN43B, GLN43C, GLN44B, GLN44C, GLN6B, GLN6C, GLN7B, GLU32B, GLU32C, GLU40B, GLU40C, GLY-1C, GLY1C, HIS12B, HIS12C, HIS16B, HIS16C, HIS35B, HIS35C, HIS39B, HIS39C, ILE11B, ILE11C, ILE15B, ILE15C, ILE8B, ILE8C, LEU34B, LEU34C, LEU37B, LEU37C, LEU4B, LEU4C, LYS19B, LYS19C, LYS9B, LYS9C, MET24B, MET24C, MET38B, MET38C, PHE14B, PHE42B, PHE42C, SER0C, SER13B, SER13C, SER2B, SER2C, SER45B, SER45C, TYR41B, TYR41C, VAL27B, VAL27C
• B-G: ARG23G, ASP25G, ASP46B, GLN44B, GLU26G, SER45B, THR29G
• B-H: ARG28B, ARG28H
• C-E: ALA18C, ALA18E, ALA20C, ALA20E, ALA21C, ALA21E, ARG23C, ARG23E, ARG28C, ARG28E, ASP25C, ASP25E, GLU26C, GLU26E, GLY22C, GLY22E, LYS19C, LYS19E, MET24C, MET24E, VAL27C, VAL27E
• C-G: ALA18C, ALA20C, ALA21C, ALA5G, ARG23C, ARG28G, ASN10C, ASN10G, ASN33C, ASN33G, ASP25C, GLN17C, GLN31G, GLN36G, GLN43G, GLN6C, GLN6G, GLN7C, GLN7G, GLU26C, GLU32G, GLU40G, GLY22C, HIS16C, HIS35G, HIS39G, ILE11C, ILE11G, ILE15C, ILE8G, LEU30C, LEU30G, LEU34G, LEU37G, LEU4G, LYS19C, LYS9C, PHE14C, PHE14G, PRO3G, SER13C, SER2G, THR29C, THR29G, TYR41G, VAL27C
• D-F: ALA5D, ALA5F, ASN10D, GLN6D, GLN6F, GLN7D, GLY-1D, GLY-1F, GLY1D, GLY1F, HIS12D, ILE11D, ILE8D, LYS9D, LYS9F, PHE14D, PRO3D, PRO3F, SER0D, SER0F, SER13D, SER2D, SER2F
• D-G: ALA5D, ALA5G, ARG28D, ARG28G, ASN10G, ASP46D, ASP46G, GLN31D, GLN31G, GLN36D, GLN36G, GLN43D, GLN43G, GLN44D, GLN44G, GLN6D, GLN6G, GLN7G, GLU32D, GLU32G, GLU40D, GLU40G, GLY-1D, GLY1D, HIS12D, HIS12G, HIS16D, HIS16G, HIS35D, HIS35G, HIS39D, HIS39G, ILE11D, ILE11G, ILE15D, ILE15G, ILE8D, ILE8G, LEU34D, LEU34G, LEU37D, LEU37G, LEU4D, LEU4G, LYS19D, LYS19G, LYS9D, LYS9G, MET24D, MET24G, MET38D, MET38G, PHE14G, PHE42D, PHE42G, SER0D, SER13D, SER13G, SER2D, SER2G, SER45D, SER45G, TYR41D, TYR41G, VAL27D, VAL27G
• E-G: ARG23E, ARG28E, ASP25E, GLN43G, GLN6G, GLU26E, GLU32E, GLU40G, GLY-1G, GLY1G, LEU30E, LEU4G, MET24E, PRO3G, SER0G, SER2G, THR29E, TYR41G, VAL27E
• E-H: ALA5E, ALA5H, ARG28E, ARG28H, ASN10E, ASP46E, ASP46H, GLN31E, GLN31H, GLN36E, GLN36H, GLN43E, GLN43H, GLN44E, GLN44H, GLN6E, GLN6H, GLN7E, GLU32E, GLU32H, GLU40E, GLU40H, GLY-1H, GLY1H, HIS12E, HIS12H, HIS16E, HIS16H, HIS35E, HIS35H, HIS39E, HIS39H, ILE11E, ILE11H, ILE15E, ILE15H, ILE8E, ILE8H, LEU34E, LEU34H, LEU37E, LEU37H, LEU4E, LEU4H, LYS19E, LYS19H, LYS9E, LYS9H, MET38E, MET38H, PHE14E, PHE42E, PHE42H, SER0H, SER13E, SER13H, SER2E, SER2H, SER45E, SER45H, TYR41E, TYR41H, VAL27E, VAL27H
• F-G: ALA5F, ASP46G, GLN43F, GLN43G, GLN44G, GLN6F, GLN7F, GLU40F, GLY-1F, GLY1F, ILE8F, LEU4F, LYS9F, PHE42F, PRO3F, SER0F, SER2F, SER45G, TYR41F