2K2F

solution structure of ca2+-s100a1-ryrp12

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 86
  • Norm. En. per Res.: -2.1481
• Hub Node: C(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
C-D	0.0	0.0	-0.3413	-0.3413	2	0	0	77	0	0	3
C-A	0.0	-15.309	-58.1906	-73.4996	37	3	2	3180	1	18	8
C-B	0.0	0.0	-0.126	-0.126	3	0	0	23	0	3	0
D-A	0.0	0.0	-0.1274	-0.1274	2	0	0	22	0	4	0
D-B	0.0	-13.6549	-55.0532	-68.7081	37	2	2	3021	1	18	8
A-B	-21.945	64.4273	-227.216	-184.7337	86	16	14	10477	0	6	16

Interface residues

• C-D: LYS1C, LYS1D
• C-A: ALA3C, ALA53A, ALA79A, ALA80A, ALA84A, ASN92A, ASP46A, ASP50A, ASP52A, CYS85A, GLN12C, GLU60A, GLU63A, HIS6C, ILE57A, LEU45A, LEU61A, LEU77A, LEU81A, LEU8C, LEU9C, LYS11C, LYS1C, LYS49A, LYS56A, LYS7C, PHE44A, PHE88A, SER43A, THR82A, TRP5C, VAL47A, VAL4C, VAL54A, VAL76A, VAL78A, VAL83A
• C-B: GLN72B, LEU9C, TRP5C
• D-A: GLN72A, TRP5D
• D-B: ALA3D, ALA51B, ALA53B, ALA79B, ALA80B, ALA84B, ASN92B, ASP46B, ASP50B, ASP52B, CYS85B, GLN12D, GLU60B, GLU63B, HIS6D, ILE57B, LEU45B, LEU61B, LEU77B, LEU81B, LEU8D, LEU9D, LYS11D, LYS1D, LYS49B, LYS56B, LYS7D, PHE44B, PHE88B, SER43B, THR82B, TRP5D, VAL47B, VAL4D, VAL54B, VAL76B, VAL78B
• A-B: ALA17A, ALA17B, ALA79A, ALA79B, ALA7A, ALA7B, ALA80A, ALA80B, ALA84A, ALA84B, ASN13A, ASN13B, ASN86A, ASN86B, ASN87A, ASN87B, CYS85A, CYS85B, GLN72A, GLN72B, GLU3A, GLU3B, GLU40A, GLU40B, GLU5A, GLU5B, GLU9A, GLU9B, GLY1A, GLY1B, HIS16A, HIS16B, HIS18A, HIS18B, ILE12A, ILE12B, LEU11A, LEU11B, LEU36A, LEU36B, LEU37A, LEU37B, LEU41A, LEU41B, LEU45A, LEU45B, LEU4A, LEU4B, LEU77A, LEU77B, LEU81A, LEU81B, MET8A, MET8B, PHE15A, PHE15B, PHE44A, PHE44B, PHE71A, PHE71B, PHE74A, PHE74B, SER2A, SER2B, SER42A, SER42B, THR10A, THR10B, THR39A, THR39B, THR6A, THR6B, THR82A, THR82B, TYR26A, TYR26B, VAL14A, VAL14B, VAL75A, VAL75B, VAL76A, VAL76B, VAL78A, VAL78B, VAL83A, VAL83B