3JRS

crystal structure of (+)-aba-bound pyl1

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 64
  • Norm. En. per Res.: -3.2889
• Hub Node: A(1)

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	-5.6118	41.3642	-64.0742	-28.3217	70	5	0	3318	0	32	32
B-C	-25.8767	-22.2793	-162.333	-210.4891	64	6	3	6868	2	18	10

Interface residues

• A-B: ALA202A, ALA207A, ALA62A, ARG101B, ARG106B, ARG120B, ARG122B, ARG145B, ARG164A, ARG187A, ARG195A, ARG56B, ARG64A, ASN146B, ASN54B, ASP124B, ASP176B, ASP185A, ASP191A, ASP31A, ASP31A5, ASP97B, CB6.0931041.58493, CB8.18241-97.16776, CYS104B, GLN199A, GLN34A, GLN63A, GLU121B, GLU179B, GLU184A, GLU206A, GLU36A, GLU99B, GLY103B, GLY134B, GLY139B, GLY140B, GLY55B, HIS66A, HIS87A, ILE137B, ILE65A, LEU123B, LEU125B, LEU126B, LEU144B, LEU188A, LEU196A, LEU32A, LEU61A, LYS148B, LYS158A, LYS200A, PHE135B, PHE88A, SER136B, SER182A, SER203A, SER59A, SER95B, THR105B, THR138B, THR192A, THR33A, TRP166A, TYR147B, VAL102B, VAL150B, VAL177B
• B-C: ALA116B, ALA116C, ALA190B, ALA190C, ARG143B, ARG143C, ARG187B, ARG187C, ARG195B, ARG195C, ASN117C, ASN181B, ASN181C, ASP185B, ASP185C, ASP191B, ASP191C, GLN199B, GLN199C, GLU183C, GLU184B, GLU184C, GLY113B, GLY113C, GLY180B, HIS142B, HIS87B, HIS87C, ILE111B, ILE111C, ILE89B, ILE89C, LEU114B, LEU114C, LEU144B, LEU188B, LEU188C, LEU196B, LEU196C, LYS200B, LYS200C, LYS86B, LYS86C, LYS90B, LYS90C, PHE189B, PHE189C, PHE88B, PHE88C, PRO115B, PRO115C, PRO178B, SER112B, SER112C, SER182B, SER182C, THR186B, THR186C, THR192B, THR192C, VAL110B, VAL110C, VAL193B, VAL193C