3THK

structure of sh3 chimera with a type ii ligand linked to the chain c- terminal

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 28
  • Norm. En. per Res.: -3.2691
• 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	0.0	0.0	-1.3209	-1.3209	16	0	0	250	0	6	4
A-C	0.0	0.0	-84.2362	-84.2362	28	1	0	2792	0	0	0
A-D	0.0	0.0	-60.5019	-60.5019	25	0	0	2163	0	0	0
B-C	-5.8304	0.0	-56.8862	-62.7166	24	1	0	2144	0	0	0
B-D	-8.8676	0.0	-82.666	-91.5336	28	1	0	2809	0	0	0
C-D	-63.3154	0.0	4037.48	3974.1646	12	547	0	3224	0	0	0

Interface residues

• A-B: ALA55A, ALA55B, ASP39A, ASP39B, GLN15A, GLN15B, LYS17A, LYS17B, LYS38A, LYS38B, TRP40A, TRP40B, TYR14A, TYR14B, TYR56A, TYR56B
• A-C: ALA54A, ALA55A, ASN37A, ASP13A, ASP39A, GLN15A, GLU16A, GLU21A, LEU11A, LYS17A, LYS26A, LYS38A, PHE51A, PRO53A, PRO74C, PRO75C, PRO76C, PRO78C, PRO79C, SER18A, TRP40A, TRP41A, TYR12A, TYR14A, TYR56A, VAL52A, VAL57A, VAL77C
• A-D: ALA54A, ALA55A, ASN37A, ASP13A, ASP39A, GLU21A, LEU11A, LYS17A, LYS38A, PHE51A, PRO53A, PRO74D, PRO75D, PRO76D, PRO78D, PRO79D, SER18A, TRP40A, TRP41A, TYR12A, TYR14A, TYR56A, VAL52A, VAL57A, VAL77D
• B-C: ALA54B, ALA55B, ASN37B, ASP13B, ASP39B, GLU21B, LEU11B, LYS17B, LYS38B, PRO53B, PRO74C, PRO75C, PRO76C, PRO78C, PRO79C, SER18B, TRP40B, TRP41B, TYR12B, TYR14B, TYR56B, VAL52B, VAL57B, VAL77C
• B-D: ALA54B, ALA55B, ASN37B, ASP13B, ASP39B, GLN15B, GLU16B, GLU21B, LEU11B, LYS17B, LYS26B, LYS38B, PHE51B, PRO53B, PRO74D, PRO75D, PRO76D, PRO78D, PRO79D, SER18B, TRP40B, TRP41B, TYR12B, TYR14B, TYR56B, VAL52B, VAL57B, VAL77D
• C-D: PRO74C, PRO74D, PRO75C, PRO75D, PRO76C, PRO76D, PRO78C, PRO78D, PRO79C, PRO79D, VAL77C, VAL77D