43CA

crystallographic structure of the esterolytic and amidolytic 43c9 antibody with bound p-nitrophenol

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 88
  • Norm. En. per Res.: -3.802
• Hub Node: A(2)

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	-33.01	-43.4878	-245.427	-321.9248	87	15	4	9010	3	10	12
A-C	-47.7626	-0.4188	-109.436	-157.6174	54	5	1	4722	0	4	5
C-D	-25.2251	-36.1877	-240.458	-301.8709	83	9	4	8711	3	10	12
C-F	0.0	0.0	-0.0006	-0.0006	3	0	0	2	0	0	0
D-E	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
D-F	-24.856	0.0	-187.958	-212.814	58	13	0	7160	0	0	4
E-F	-34.766	-29.517	-242.828	-307.111	85	10	4	8812	3	11	12
E-G	0.0	0.0	-32.2286	-32.2286	23	2	1	1453	0	3	4
F-G	0.0	0.0	-0.0066	-0.0066	4	0	0	7	0	0	0
G-H	-47.9293	-37.1922	-249.456	-334.5775	88	19	4	8891	2	11	12

Interface residues

• A-B: ALA34A, ALA62B, ALA94A, ARG100B, ARG38B, ARG54A, ARG93A, ARG96A, ASN28A, ASN33B, ASN60B, ASP100B, ASP1A, ASP85A, CYS88A, CYS92B, GLN105B, GLN37A, GLN38A, GLN39B, GLN42A, GLN6A, GLN89A, GLN90A, GLU46B, GLU55A, GLU58B, GLU6B, GLY100A, GLY101A, GLY104B, GLY106B, GLY41A, GLY44B, GLY49B, GLY57A, GLY96B, GLY98B, GLY99A, GLY99B, HIS35B, HIS91A, LEU45B, LEU46A, LEU47A, LEU48B, LEU63B, LYS30A, LYS39A, LYS43B, LYS45A, MET50B, MET89B, PHE100B, PHE50A, PHE87A, PHE98A, PRO41B, PRO44A, PRO59A, PRO61B, PRO95A, SER101B, SER43A, SER56A, SER94B, THR53A, THR97A, TRP103B, TRP35A, TRP36B, TRP47B, TRP52B, TYR102B, TYR32A, TYR36A, TYR49A, TYR59B, TYR86A, TYR91B, TYR92A, TYR95B, TYR97B, VAL37B, VAL48A, VAL58A, VAL93B
• A-C: ALA12A, ALA12C, ASP70A, ASP70C, GLN17A, GLN17C, GLN6A, GLN6C, GLU105A, GLU105C, GLY16A, GLY16C, ILE106A, ILE106C, LEU104A, LEU104C, LEU11A, LEU11C, LYS103A, LYS103C, LYS107A, LYS107C, LYS18A, LYS18C, LYS24A, LYS24C, MET13A, MET13C, MET21A, MET21C, PRO8A, PRO8C, SER10A, SER10C, SER14A, SER14C, SER22A, SER22C, SER76A, SER76C, SER9A, SER9C, THR102A, THR102C, THR20A, THR20C, THR5A, THR5C, THR7A, THR7C, VAL19A, VAL19C, VAL78A, VAL78C
• C-D: ALA34C, ALA62D, ALA94C, ARG100D, ARG38D, ARG54C, ARG93C, ARG96C, ASN28C, ASN33D, ASN60D, ASP100D, ASP1C, ASP85C, CYS88C, CYS92D, GLN105D, GLN38C, GLN39D, GLN42C, GLN6C, GLN89C, GLN90C, GLU46D, GLU55C, GLU58D, GLU6D, GLY100C, GLY101C, GLY104D, GLY106D, GLY41C, GLY44D, GLY49D, GLY57C, GLY96D, GLY99C, GLY99D, HIS35D, HIS91C, LEU45D, LEU46C, LEU47C, LEU48D, LEU63D, LYS30C, LYS43D, LYS45C, MET50D, MET89D, PHE100D, PHE50C, PHE87C, PHE98C, PRO44C, PRO61D, PRO95C, SER101D, SER43C, SER56C, SER94D, THR53C, THR97C, TRP103D, TRP35C, TRP36D, TRP47D, TRP52D, TYR102D, TYR32C, TYR32D, TYR36C, TYR49C, TYR59D, TYR86C, TYR91D, TYR92C, TYR95D, TYR97D, VAL37D, VAL48C, VAL58C, VAL93D
• C-F: GLN38C, GLY41C, LEU11F
• D-E: GLY41E, LEU11D
• D-F: ALA13D, ALA13F, ALA88D, ALA88F, ARG38D, ARG38F, ASP85D, ASP85F, ASP86D, ASP86F, GLN16D, GLN16F, GLN39D, GLN39F, GLN83D, GLN83F, GLY10D, GLY10F, GLY42D, GLY42F, GLY44D, GLY44F, LEU108D, LEU108F, LEU11D, LEU11F, LYS43D, LYS43F, MET89D, MET89F, PRO14D, PRO14F, PRO41D, PRO41F, PRO9D, PRO9F, SER112D, SER112F, SER15D, SER40D, SER40F, SER87D, SER87F, THR107D, THR110D, THR110F, THR84D, THR84F, TYR90D, TYR90F, TYR91D, TYR91F, VAL109D, VAL109F, VAL111D, VAL111F, VAL12D, VAL12F
• E-F: ALA34E, ALA62F, ALA94E, ARG100F, ARG38F, ARG54E, ARG93E, ARG96E, ASN28E, ASN33F, ASN60F, ASP100F, ASP1E, ASP85E, CYS88E, CYS92F, GLN105F, GLN37E, GLN38E, GLN39F, GLN42E, GLN6E, GLN89E, GLN90E, GLU46F, GLU55E, GLU58F, GLU6F, GLY100E, GLY101E, GLY104F, GLY106F, GLY41E, GLY44F, GLY49F, GLY57E, GLY96F, GLY99E, GLY99F, HIS35F, HIS91E, LEU45F, LEU46E, LEU47E, LEU48F, LEU63F, LYS30E, LYS43F, LYS45E, MET50F, MET89F, PHE100F, PHE50E, PHE87E, PHE98E, PRO41F, PRO44E, PRO61F, PRO95E, SER101F, SER43E, SER56E, SER94F, THR53E, THR97E, TRP103F, TRP35E, TRP36F, TRP47F, TRP52F, TYR102F, TYR32E, TYR32F, TYR36E, TYR49E, TYR59F, TYR86E, TYR91F, TYR92E, TYR95F, TYR97F, VAL37F, VAL48E, VAL58E, VAL93F
• E-G: ASP1E, ASP1G, ASP70G, GLN27E, GLN27G, LYS24E, LYS24G, MET4E, MET4G, SER25E, SER25G, SER26E, SER26G, SER27E, SER27G, THR5E, THR5G, THR69E, THR69G, VAL2E, VAL2G, VAL3E, VAL3G
• F-G: ALA62F, LYS24G, PRO61F, THR5G
• G-H: ALA34G, ALA62H, ALA94G, ARG100H, ARG38H, ARG54G, ARG93G, ARG96G, ASN28G, ASN33H, ASN60H, ASP100H, ASP1G, ASP85G, CYS88G, CYS92H, GLN105H, GLN37G, GLN38G, GLN39H, GLN42G, GLN6G, GLN89G, GLN90G, GLU46H, GLU55G, GLU58H, GLU6H, GLY100G, GLY101G, GLY104H, GLY106H, GLY41G, GLY44H, GLY49H, GLY57G, GLY96H, GLY98H, GLY99G, GLY99H, HIS35H, HIS91G, LEU45H, LEU46G, LEU47G, LEU48H, LEU4H, LEU63H, LYS30G, LYS43H, LYS45G, MET50H, MET89H, PHE100H, PHE50G, PHE87G, PHE98G, PRO41H, PRO44G, PRO61H, PRO95G, SER101H, SER43G, SER56G, SER94H, THR53G, THR97G, TRP103H, TRP35G, TRP36H, TRP47H, TRP52H, TYR102H, TYR32G, TYR32H, TYR36G, TYR49G, TYR59H, TYR86G, TYR91H, TYR92G, TYR95H, TYR97H, VAL2G, VAL37H, VAL48G, VAL58G, VAL93H