3C1V

the 1.5 a crystal structure of ca2+-bound s100a4

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 83
  • Norm. En. per Res.: -3.9061
• 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	-21.4687	-1.34	-391.595	-414.4037	112	11	17	15451	0	27	18
A-D	0.0	0.0	-0.2062	-0.2062	4	0	0	72	0	1	2
B-C	0.0	0.0	-0.2893	-0.2893	4	0	0	78	0	0	2
B-D	-6.5487	-96.473	-221.185	-324.2067	83	8	6	8541	6	18	15
C-D	-20.8032	-14.8651	-385.085	-420.7532	112	15	17	15291	1	27	19

Interface residues

• A-B: ALA2A, ALA2B, ALA83A, ALA83B, ALA8A, ALA8B, ARG40A, ARG40B, ASN87A, ASN87B, ASP10A, ASP10B, ASP71A, ASP71B, ASP95B, CYS3A, CYS3B, CYS76A, CYS76B, CYS81A, CYS81B, CYS86A, CYS86B, GLN73A, GLN73B, GLU41A, GLU41B, GLU6A, GLU6B, GLU74A, GLU74B, GLU88A, GLU88B, GLU91A, GLU91B, GLY21A, GLY21B, GLY47A, GLY47B, HIS17A, HIS17B, ILE82A, ILE82B, LEU37A, LEU37B, LEU38A, LEU38B, LEU42A, LEU42B, LEU46A, LEU46B, LEU5A, LEU5B, LEU79A, LEU79B, LEU9A, LEU9B, LYS18A, LYS18B, LYS26A, LYS26B, LYS7A, LYS7B, LYS96B, MET12A, MET12B, MET84A, MET84B, MET85A, MET85B, PHE16A, PHE16B, PHE27A, PHE27B, PHE45A, PHE45B, PHE72A, PHE72B, PHE78A, PHE78B, PHE89A, PHE89B, PHE90A, PHE90B, PHE93A, PRO43A, PRO43B, PRO4A, PRO4B, PRO94A, SER14A, SER14B, SER20A, SER20B, SER44A, SER44B, SER80A, SER80B, THR15A, THR15B, THR39A, THR39B, TYR19A, TYR19B, TYR75A, TYR75B, VAL11A, VAL11B, VAL13A, VAL13B, VAL77A, VAL77B
• A-D: ASN61D, LYS26A, LYS57D, PHE27A
• B-C: ASN61B, LYS26C, LYS57B, PHE27C
• B-D: ALA53B, ALA53D, ALA54B, ALA54D, ARG49B, ARG49D, ASN61B, ASN61D, ASP51B, ASP51D, ASP63B, ASP63D, ASP95B, ASP95D, CYS76B, CYS81B, CYS81D, GLN56B, GLN56D, GLN97B, GLN97D, GLU74B, GLU74D, GLU88B, GLU88D, GLU91B, GLU91D, GLY47B, GLY47D, GLY92B, GLY92D, ILE82B, ILE82D, LEU38B, LEU38D, LEU46B, LEU46D, LEU58B, LEU58D, LEU62B, LEU62D, LEU79B, LEU79D, LYS48B, LYS48D, LYS57B, LYS57D, LYS96B, LYS96D, MET59B, MET59D, MET84B, MET84D, MET85B, MET85D, PHE45B, PHE45D, PHE55B, PHE55D, PHE78B, PHE78D, PHE89B, PHE89D, PHE90B, PHE90D, PHE93B, PHE93D, PRO94B, PRO94D, PRO98B, PRO98D, SER44B, SER44D, SER60B, SER60D, SER64B, SER64D, SER80B, SER80D, THR50B, THR50D, VAL77B, VAL77D
• C-D: ALA2C, ALA2D, ALA83C, ALA83D, ALA8C, ALA8D, ARG40C, ARG40D, ASN87C, ASN87D, ASP10C, ASP10D, ASP71C, ASP71D, ASP95D, CYS3C, CYS3D, CYS76C, CYS76D, CYS81C, CYS81D, CYS86C, CYS86D, GLN73C, GLN73D, GLU41C, GLU41D, GLU6C, GLU6D, GLU74C, GLU74D, GLU88C, GLU88D, GLU91C, GLU91D, GLY21C, GLY21D, GLY47C, GLY47D, HIS17C, HIS17D, ILE82C, ILE82D, LEU37C, LEU37D, LEU38C, LEU38D, LEU42C, LEU42D, LEU46C, LEU46D, LEU5C, LEU5D, LEU79C, LEU79D, LEU9C, LEU9D, LYS18C, LYS18D, LYS26C, LYS26D, LYS7C, LYS7D, LYS96D, MET12C, MET12D, MET84C, MET84D, MET85C, MET85D, PHE16C, PHE16D, PHE27C, PHE27D, PHE45C, PHE45D, PHE72C, PHE72D, PHE78C, PHE78D, PHE89C, PHE89D, PHE90C, PHE90D, PHE93C, PRO43C, PRO43D, PRO4C, PRO4D, PRO94C, SER14C, SER14D, SER20C, SER20D, SER44C, SER44D, SER80C, SER80D, THR15C, THR15D, THR39C, THR39D, TYR19C, TYR19D, TYR75C, TYR75D, VAL11C, VAL11D, VAL13C, VAL13D, VAL77C, VAL77D