2A28

atomic-resolution crystal structure of the second sh3 domain of yeast bzz1 determined from a pseudomerohedrally twinned crystal

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 23
  • Norm. En. per Res.: -2.9809
• 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	-7.84	-0.3798	-32.3876	-40.6074	25	1	3	1582	0	3	8
A-C	0.0	0.0	-0.3537	-0.3537	6	0	0	75	0	4	4
A-D	-12.4346	-9.9791	-46.1478	-68.5614	23	2	0	1459	0	9	15
B-C	-13.4221	-10.1552	-46.7276	-70.3049	25	12	0	1709	0	9	16
B-D	-9.725	13.8445	-40.699	-36.5795	34	1	1	2169	1	11	12
C-D	0.0	13.1573	-0.1807	12.9766	7	0	0	32	0	2	9

Interface residues

• A-B: ALA2A, ALA2B, ASP23A, ASP23B, ASP42A, CYS41A, GLU40A, GLU4A, GLU4B, GLY1A, GLY1B, GLY22A, GLY22B, GLY43A, ILE24A, ILE24B, ILE25A, ILE25B, LYS54A, LYS54B, MET3A, MET3B, THR26A, THR26B, VAL27A
• A-C: ARG29A, ASP14C, ILE28A, LYS45A, LYS45C, VAL27A
• A-D: ARG29D, ASP15D, ASP31D, ASP32D, ASP42A, CYS41A, GLU40A, GLY30D, GLY33D, GLY39D, GLY43A, GLY46D, ILE17A, ILE28D, LEU44A, LEU47D, LYS45A, LYS45D, SER18A, SER34D, THR37D, TRP36D, TYR38D
• B-C: ARG29C, ASP15C, ASP23B, ASP31C, ASP32C, ASP42B, CYS41B, GLU40B, GLY30C, GLY33C, GLY35C, GLY39C, GLY43B, GLY46C, ILE17B, ILE28C, LEU44B, LEU47C, LYS45B, LYS45C, SER18B, SER34C, THR37C, TRP36C, TYR38C
• B-D: ALA2B, ARG29B, ARG29D, ASP14D, ASP15D, ASP31B, ASP32B, ASP42D, CYS41B, CYS41D, GLU16D, GLU40B, GLU40D, GLY13D, GLY1B, GLY30B, GLY39B, GLY43B, GLY43D, GLY46D, ILE17D, ILE28B, ILE28D, LEU44B, LEU44D, LEU47D, LYS45B, LYS45D, MET3B, THR26B, THR37B, TYR38B, TYR38D, VAL27B
• C-D: ASP14C, ASP14D, ASP15C, ASP15D, GLN12D, GLY13D, LEU47C