2JTT

solution structure of calcium loaded s100a6 bound to c- terminal siah-1 interacting protein

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 64
  • Norm. En. per Res.: -4.6612
• Hub Node: A(3)

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	-44.8057	0.6276	-370.077	-414.2551	113	6	33	16151	0	9	16
A-C	-33.8547	33.4033	-160.386	-160.8373	51	6	4	5783	1	9	14
A-D	-51.0771	-44.5378	-202.704	-298.3188	64	5	10	8340	6	19	22
B-C	-20.5944	0.5565	-139.59	-159.6279	66	3	10	6575	0	16	16
B-D	-31.313	20.5554	-135.045	-145.8027	48	5	3	4932	0	11	14

Interface residues

• A-B: ALA2A, ALA2B, ALA79A, ALA79B, ALA81A, ALA81B, ALA87A, ALA87B, ALA8A, ALA8B, ASN63A, ASN69A, ASN69B, ASN85A, ASN85B, ASP25A, ASP25B, ASP6A, ASP6B, GLN49B, GLN71A, GLN71B, GLN7A, GLN7B, GLU41A, GLU41B, GLU72A, GLU72B, GLU86A, GLU86B, GLY10A, GLY10B, GLY14A, GLY14B, GLY21A, GLY24A, GLY45B, GLY78A, GLY78B, GLY90A, GLY90B, HIS17A, HIS17B, HIS27A, HIS27B, ILE13A, ILE13B, ILE15A, ILE15B, ILE38A, ILE38B, ILE44A, ILE44B, ILE74A, ILE74B, ILE83A, ILE83B, ILE9A, ILE9B, LEU11A, LEU11B, LEU12A, LEU12B, LEU34B, LEU37A, LEU37B, LEU42A, LEU42B, LEU5A, LEU5B, LEU77A, LEU77B, LEU80A, LEU80B, LEU88A, LEU88B, LYS18A, LYS18B, LYS26A, LYS26B, LYS40A, LYS40B, LYS47B, LYS89A, LYS89B, MET1A, MET1B, MET82A, MET82B, PHE16A, PHE16B, PHE70A, PHE70B, PHE76A, PHE76B, PRO4A, PRO4B, SER20A, SER20B, SER3A, SER3B, SER46B, THR28A, THR28B, THR43A, THR43B, THR75A, THR75B, TYR19A, TYR73A, TYR73B, TYR84A, TYR84B
• A-C: ALA214C, ALA2A, ALA8A, ARG209C, ARG219C, ASN212C, ASP202C, ASP204C, ASP205C, ASP206C, ASP25A, ASP6A, GLN71A, GLN7A, GLU217C, GLU41A, GLY10A, GLY14A, GLY203C, GLY21A, GLY24A, HIS17A, ILE13A, ILE15A, ILE199C, ILE211C, ILE9A, LEU11A, LEU12A, LEU192C, LEU196C, LEU5A, LYS18A, LYS208C, LYS213C, LYS22A, LYS40A, MET193C, MET1A, MET207C, PHE16A, PHE70A, PRO4A, SER20A, SER218C, SER3A, THR210C, TRP215C, TYR19A, TYR200C, VAL216C
• A-D: ALA214D, ALA51A, ALA79A, ALA81A, ALA87A, ALA8A, ARG209D, ARG62A, ASN194D, ASN212D, ASN63A, ASN85A, ASP202D, ASP204D, ASP205D, ASP206D, ASP50A, ASP58A, ASP59A, GLN49A, GLU190D, GLU201D, GLU217D, GLU52A, GLU86A, GLY191D, GLY203D, GLY78A, GLY90A, ILE199D, ILE211D, ILE38A, ILE44A, ILE53A, ILE83A, LEU192D, LEU196D, LEU42A, LEU56A, LEU60A, LEU77A, LEU80A, LEU88A, LYS197D, LYS198D, LYS208D, LYS47A, LYS55A, LYS89A, MET193D, MET207D, MET57A, MET82A, PHE76A, PRO4A, SER189D, THR210D, THR43A, THR75A, TRP215D, TYR200D, TYR84A, VAL195D, VAL54A
• B-C: ALA214C, ALA2B, ALA51B, ALA79B, ALA81B, ALA87B, ALA8B, ARG62B, ASN194C, ASN63B, ASN85B, ASP202C, ASP204C, ASP50B, ASP58B, ASP59B, GLN49B, GLN7B, GLU201C, GLU217C, GLU52B, GLU86B, GLY191C, GLY203C, GLY45B, GLY78B, GLY90B, ILE199C, ILE211C, ILE38B, ILE44B, ILE53B, ILE83B, LEU192C, LEU196C, LEU42B, LEU56B, LEU5B, LEU60B, LEU77B, LEU80B, LEU88B, LYS197C, LYS198C, LYS208C, LYS213C, LYS55B, LYS89B, MET193C, MET1B, MET207C, MET57B, MET82B, PHE76B, PRO4B, SER218C, SER46B, THR210C, THR43B, THR75B, TRP215C, TYR200C, TYR84B, VAL195C, VAL216C, VAL54B
• B-D: ALA214D, ALA2B, ALA8B, ARG209D, ARG219D, ASN212D, ASP202D, ASP204D, ASP205D, ASP206D, ASP6B, GLN71B, GLN7B, GLU217D, GLU41B, GLY10B, GLY14B, GLY203D, GLY21B, HIS17B, HIS27B, ILE13B, ILE15B, ILE199D, ILE211D, ILE74B, ILE9B, LEU11B, LEU12B, LEU192D, LEU196D, LEU5B, LYS18B, LYS208D, LYS213D, LYS22B, LYS40B, MET207D, PHE16B, PHE70B, PRO4B, SER218D, SER3B, THR210D, TRP215D, TYR19B, TYR200D, VAL216D