2CI9

nck1 sh2-domain in complex with a dodecaphosphopeptide from epec protein tir

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-L
  • Int. Res.: 46
  • Norm. En. per Res.: -4.2721
• 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	-9.2272	13.8787	-45.3851	-40.7336	24	1	0	1593	0	14	15
A-L	-34.9958	-50.9672	-110.553	-196.516	46	6	5	4194	2	24	14
B-M	-29.641	-47.7321	-128.897	-206.2701	50	5	5	4788	2	33	18

Interface residues

• A-B: ALA295B, ARG299B, ARG344A, ASN297B, CYS340A, GLN291B, GLU293B, GLU298B, GLU336A, GLU350A, GLU351A, GLU354A, HIS290B, HIS355A, LEU352A, LYS335A, LYS345A, MET294B, PHE346A, SER347A, THR337A, THR348A, TYR339A, VAL338A
• A-L: ALA359A, ALA478L, ALA479L, ARG289A, ARG308A, ARG344A, ASN327A, ASP475L, ASP480L, CYS340A, GLN343A, GLU311A, GLU365A, GLU368A, GLU476L, GLY342A, HIS290A, HIS329A, HIS355A, HIS472L, ILE341A, ILE361A, ILE473L, LEU321A, LEU352A, LEU370A, LYS326A, LYS328A, LYS331A, LYS369A, PHE330A, PHE346A, PHE362A, PRO360A, SER310A, SER312A, SER313A, SER318A, SER320A, SER364A, THR288A, THR363A, TYR356A, VAL319A, VAL332A, VAL477L
• B-M: ALA359B, ALA478M, ALA479M, ARG289B, ARG308B, ARG344B, ASN327B, ASP475M, ASP480M, CYS340B, GLN343B, GLU311B, GLU368B, GLU470M, GLU471M, GLU476M, GLY342B, HIS290B, HIS329B, HIS355B, HIS472M, ILE341B, ILE361B, ILE473M, LEU321B, LEU352B, LEU370B, LYS326B, LYS328B, LYS331B, LYS358B, LYS369B, PHE330B, PHE346B, PHE362B, PRO360B, PRO481M, SER310B, SER312B, SER313B, SER318B, SER320B, SER364B, THR288B, THR363B, TYR356B, TYR371B, VAL319B, VAL332B, VAL477M