3NXA

x-ray structure of the apo form of human s100a16

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 112
  • Norm. En. per Res.: -4.6494
• 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	-36.7309	-14.4049	-461.171	-512.3069	115	16	18	18120	7	45	40
A-D	0.0	0.0	-9.0044	-9.0044	7	3	0	327	0	1	0
B-C	0.0	0.0	-5.7507	-5.7507	8	0	0	243	0	2	2
B-D	0.0	1.2571	-88.2157	-86.9586	40	2	2	4054	3	9	8
C-D	-31.0074	-19.4524	-470.269	-520.7287	112	15	19	17788	5	41	40

Interface residues

• A-B: ALA11A, ALA11B, ALA91A, ALA91B, ASN18A, ASN18B, ASN31A, ASN31B, ASN47A, ASN47B, ASP3A, ASP77A, ASP77B, CYS4A, CYS4B, GLN43A, GLN97A, GLN97B, GLN99A, GLN99B, GLU17A, GLU17B, GLU45A, GLU45B, GLU7A, GLU7B, GLU96A, GLU96B, GLU98A, GLU98B, GLU9A, GLU9B, GLY84A, GLY84B, GLY85A, GLY85B, GLY88A, GLY88B, HIS48A, HIS48B, HIS95A, HIS95B, ILE13A, ILE13B, ILE83A, ILE83B, ILE86A, ILE86B, ILE90A, ILE90B, ILE94A, ILE94B, LEU15A, LEU15B, LEU42A, LEU42B, LEU46A, LEU46B, LEU50A, LEU50B, LEU82A, LEU82B, LEU8A, LEU8B, LEU93A, LEU93B, LYS10A, LYS10B, LYS21A, LYS21B, LYS30A, LYS30B, LYS44A, LYS44B, LYS92A, LYS92B, MET41A, MET41B, MET49A, MET49B, PHE19A, PHE19B, PHE38A, PHE38B, PHE76A, PHE76B, PRO89A, PRO89B, SER102A, SER51A, SER51B, THR6A, THR6B, THR81A, THR81B, THR87A, THR87B, TRP80A, TRP80B, TYR20A, TYR20B, TYR22A, TYR22B, TYR5A, TYR5B, TYR79A, TYR79B, VAL12A, VAL12B, VAL14A, VAL14B, VAL16A, VAL16B, VAL23A, VAL23B
• A-D: CYS4A, GLU9A, ILE13A, LYS25D, TYR26D, TYR5A, VAL16A
• B-C: GLN100B, GLN100C, GLN97B, GLN99C, GLU96B, GLU96C, GLU98C, HIS95C
• B-D: ALA58B, ALA91B, ARG56B, ARG73D, ASN47B, ASN55B, ASP52B, GLN100B, GLN97B, GLU96B, GLU98B, GLY54B, GLY88B, HIS48B, HIS95B, ILE33D, ILE86B, ILE90B, ILE94B, LEU28D, LEU46B, LEU50B, LEU93B, LYS25D, LYS30D, LYS57B, LYS92B, MET49B, PRO89B, SER24D, SER27D, SER34D, SER36D, SER37D, SER51B, THR53B, TYR22D, TYR26D, VAL23D, VAL29D
• C-D: ALA11C, ALA11D, ALA91C, ALA91D, ASN18C, ASN18D, ASN31C, ASN31D, ASN47C, ASN47D, ASP77C, ASP77D, CYS4D, GLN43C, GLN43D, GLN97C, GLN97D, GLN99C, GLU17C, GLU17D, GLU45C, GLU45D, GLU7C, GLU7D, GLU96C, GLU96D, GLU98C, GLU98D, GLU9C, GLU9D, GLY84C, GLY84D, GLY85C, GLY85D, GLY88C, GLY88D, HIS48C, HIS48D, HIS95C, HIS95D, ILE13C, ILE13D, ILE83C, ILE83D, ILE86C, ILE86D, ILE90C, ILE90D, ILE94C, ILE94D, LEU15C, LEU15D, LEU42C, LEU42D, LEU46C, LEU46D, LEU50C, LEU50D, LEU82C, LEU82D, LEU8C, LEU8D, LEU93C, LEU93D, LYS10C, LYS10D, LYS21C, LYS21D, LYS30C, LYS30D, LYS44C, LYS44D, LYS92C, LYS92D, MET41C, MET41D, MET49C, MET49D, PHE19C, PHE19D, PHE38C, PHE38D, PHE76C, PHE76D, PRO89C, PRO89D, SER101C, SER51C, THR6C, THR6D, THR81C, THR81D, THR87C, THR87D, TRP80C, TRP80D, TYR20C, TYR20D, TYR22C, TYR22D, TYR5C, TYR5D, TYR79C, TYR79D, VAL12C, VAL12D, VAL14C, VAL14D, VAL16C, VAL16D, VAL23C, VAL23D