3NSL

crystal structure of s100a3 c30a+c68a double mutant expressed in insect cell

• Total interactions analyzed: 15
• Total true interactions: 13
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 118
  • Norm. En. per Res.: -4.6701
• Hub Node: A(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-F	0.0	12.2739	-9.6132	2.6607	16	0	0	640	0	5	10
A-C	-11.7298	9.4565	-67.0786	-69.3519	42	4	0	2385	0	16	17
A-B	-54.3774	-9.649	-473.045	-537.0714	118	19	24	19599	0	25	19
A-E	-16.1508	-0.4413	-27.795	-44.3871	15	1	0	953	1	5	4
F-C	0.0	0.5199	-18.0838	-17.5639	30	0	1	1069	0	11	10
F-B	0.0	0.0	742.793	742.793	13	35	0	236	0	0	0
F-E	-51.9053	-22.521	283.507	209.0807	132	48	27	18978	1	25	19
F-D	-11.8439	4.5338	-61.8903	-69.2004	36	4	0	1963	0	13	15
C-B	0.0	-10.3809	-38.2895	-48.6704	36	0	2	2006	0	13	14
C-D	-48.8895	-10.9835	-491.202	-551.075	118	18	24	19133	1	26	19
B-E	0.0	0.0	-0.0019	-0.0019	3	0	0	2	0	0	0
B-D	0.0	0.0	-3.6726	-3.6726	9	0	0	164	0	0	0
E-D	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	0	2

Interface residues

• A-F: ALA43F, ASP92A, GLN39F, GLU18F, GLU36F, GLU41F, GLU49A, GLU88A, LEU37F, LEU42F, LYS40F, LYS91A, PHE50A, PRO94A, THR44F, TYR19F
• A-C: ALA11A, ALA20C, ALA2A, ALA32C, ALA43A, ALA8A, ARG22C, ARG3A, ASN65C, ASP25C, ASP63C, ASP67C, CYS23C, CYS83A, CYS86A, GLN17C, GLN39C, GLN7A, GLU18C, GLU33C, GLU6A, GLU88A, GLY21C, GLY24C, HIS87A, LEU42A, LEU5A, LEU82A, LYS26C, LYS28C, LYS66C, LYS91A, PHE90A, PRO4A, THR44A, THR46A, THR48A, THR64C, TRP45A, TYR19C, TYR27C, TYR89A
• A-B: ALA10A, ALA10B, ALA11A, ALA11B, ALA20A, ALA20B, ALA2A, ALA43A, ALA43B, ALA80A, ALA80B, ALA8A, ALA8B, ARG22A, ARG22B, ARG3A, ARG3B, ARG77A, ARG77B, ASP25A, ASP25B, ASP71A, ASP71B, ASP92A, ASP92B, CYS14A, CYS14B, CYS81A, CYS81B, CYS83A, CYS83B, CYS86A, CYS86B, CYS93A, CYS93B, GLN17A, GLN17B, GLN39A, GLN39B, GLN7A, GLN7B, GLU18A, GLU18B, GLU41A, GLU41B, GLU6A, GLU6B, GLU74A, GLU74B, GLU88A, GLU88B, GLY21A, GLY21B, HIS87A, HIS87B, ILE12A, ILE12B, LEU29A, LEU34A, LEU34B, LEU37A, LEU37B, LEU38A, LEU38B, LEU42A, LEU42B, LEU5A, LEU5B, LEU79A, LEU79B, LEU82A, LEU82B, LEU84A, LEU84B, LYS26A, LYS26B, LYS28A, LYS28B, LYS40A, LYS40B, LYS91A, LYS91B, PHE16A, PHE16B, PHE72A, PHE72B, PHE90A, PHE90B, PRO4A, PRO4B, PRO94A, PRO94B, SER78A, SER78B, THR15A, THR15B, THR44A, THR44B, TRP45A, TRP45B, TYR19A, TYR19B, TYR27A, TYR27B, TYR75A, TYR75B, TYR85A, TYR85B, TYR89A, TYR89B, VAL13A, VAL13B, VAL73A, VAL73B, VAL76A, VAL76B, VAL9A, VAL9B
• A-E: ALA2E, ARG3E, ARG51A, ASP92A, CYS93A, GLU49A, GLU6E, GLU88A, LEU5E, LYS91A, PHE50A, PHE90A, PRO4E, PRO94A, THR48A
• F-C: ALA10C, ALA11C, ALA2C, ALA30F, ALA32F, ALA68F, ARG22F, ARG3C, ASP25F, ASP67F, CYS14C, CYS23F, GLN17C, GLN7C, GLU18C, GLU33F, GLU36F, GLU69F, GLU6C, GLY21C, GLY24F, LYS28F, LYS40F, LYS66F, PHE5F, PRO4C, THR44C, TYR19F, VAL13C, VAL9C
• F-B: ALA20F, ALA43F, ARG22F, ASP25F, CYS23F, GLU33F, GLY21F, GLY24F, LYS26B, LYS26F, LYS28F, TYR19F, TYR2B
• F-E: ALA10E, ALA10F, ALA11E, ALA11F, ALA20E, ALA20F, ALA2E, ALA2F, ALA32F, ALA43E, ALA43F, ALA68F, ALA80E, ALA80F, ALA8E, ALA8F, ARG22E, ARG22F, ARG3E, ARG3F, ARG51E, ARG77E, ARG77F, ASN65F, ASP25E, ASP25F, ASP63F, ASP67F, ASP71E, ASP71F, ASP92E, ASP92F, CYS14E, CYS14F, CYS81E, CYS81F, CYS83E, CYS83F, CYS86E, CYS86F, CYS93E, CYS93F, GLN17E, GLN17F, GLN31F, GLN39E, GLN39F, GLN7E, GLN7F, GLU18E, GLU18F, GLU41E, GLU41F, GLU6E, GLU6F, GLU74E, GLU74F, GLU88E, GLU88F, GLY21E, GLY21F, HIS87E, HIS87F, ILE12E, ILE12F, LEU29E, LEU37E, LEU37F, LEU38E, LEU38F, LEU42E, LEU42F, LEU5E, LEU5F, LEU62F, LEU79E, LEU79F, LEU82E, LEU82F, LEU84E, LEU84F, LYS26E, LYS26F, LYS28E, LYS28F, LYS35F, LYS40E, LYS40F, LYS66F, LYS91E, LYS91F, MET59F, PHE16E, PHE16F, PHE72E, PHE72F, PHE90E, PHE90F, PRO4E, PRO4F, PRO94E, PRO94F, SER60F, SER78E, SER78F, THR15E, THR15F, THR44E, THR44F, THR64F, TRP45E, TRP45F, TYR19E, TYR19F, TYR27E, TYR27F, TYR5E, TYR75E, TYR75F, TYR85E, TYR85F, TYR89E, TYR89F, VAL13E, VAL13F, VAL61F, VAL73E, VAL73F, VAL76E, VAL76F, VAL9E, VAL9F
• F-D: ALA20F, ALA32F, ALA43D, ARG22F, ARG3D, ASP25F, ASP67F, CYS23F, CYS83D, CYS86D, GLN17F, GLN7D, GLU18F, GLU33F, GLU69F, GLU88D, GLY21F, GLY24F, HIS87D, LEU42D, LEU82D, LYS26F, LYS28F, LYS40F, LYS66F, LYS91D, PHE5F, PHE90D, PRO4D, THR44D, THR46D, THR48D, TRP45D, TYR19F, TYR27F, TYR89D
• C-B: ALA10B, ALA10C, ALA11B, ALA30C, ALA32C, ALA68C, ALA8B, ARG22C, ARG3B, ASN65C, ASP25C, ASP67C, CYS14B, CYS23C, GLN17B, GLN31C, GLN7B, GLU18B, GLU18C, GLU33C, GLU36C, GLU69C, GLU6B, GLU6C, GLY24C, LEU29C, LEU5B, LYS28C, LYS40C, LYS66C, PRO4B, THR15B, TYR19C, TYR2B, VAL13B, VAL9B
• C-D: ALA10C, ALA10D, ALA11C, ALA11D, ALA20C, ALA20D, ALA2C, ALA43C, ALA43D, ALA80C, ALA80D, ALA8C, ALA8D, ARG22C, ARG22D, ARG3C, ARG3D, ARG51C, ARG77C, ARG77D, ASP25C, ASP25D, ASP71C, ASP71D, ASP92C, ASP92D, CYS14C, CYS14D, CYS81C, CYS81D, CYS83C, CYS83D, CYS86C, CYS86D, CYS93C, CYS93D, GLN17C, GLN17D, GLN39C, GLN39D, GLN7C, GLN7D, GLU18C, GLU18D, GLU41C, GLU41D, GLU6C, GLU6D, GLU74C, GLU74D, GLU88C, GLU88D, GLY21C, GLY21D, HIS87C, HIS87D, ILE12C, ILE12D, LEU34C, LEU34D, LEU37C, LEU37D, LEU38C, LEU38D, LEU42C, LEU42D, LEU5C, LEU5D, LEU79C, LEU79D, LEU82C, LEU82D, LEU84C, LEU84D, LYS26C, LYS26D, LYS28C, LYS28D, LYS40C, LYS40D, LYS91C, LYS91D, PHE16C, PHE16D, PHE72C, PHE72D, PHE90C, PHE90D, PRO4C, PRO4D, PRO94C, PRO94D, SER78C, SER78D, THR15C, THR15D, THR44C, THR44D, TRP45C, TRP45D, TYR19C, TYR19D, TYR27C, TYR27D, TYR75C, TYR75D, TYR85C, TYR85D, TYR89C, TYR89D, VAL13C, VAL13D, VAL73C, VAL73D, VAL76C, VAL76D, VAL9C, VAL9D
• B-E: ARG3E, LYS26B, TYR27B
• B-D: CYS86D, GLU88D, HIS87D, THR44D, THR46D, THR48D, TRP45D, TYR2B, TYR89D
• E-D: GLU88D, TYR89E