3P03

crystal structure of betp-g153d with choline bound

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 110
  • Norm. En. per Res.: -2.7214
• 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	-4.5622	-1.9085	-172.804	-179.2747	84	16	3	7728	1	6	7
A-C	-18.1872	-88.1851	-192.978	-299.3503	110	32	3	10230	8	29	25
B-C	-2.9238	-58.0192	-199.342	-260.285	99	13	2	8629	2	21	16

Interface residues

• A-B: ALA102B, ALA348B, ALA352B, ALA355B, ALA94B, ARG126A, ARG137A, ARG350B, ARG554B, ARG558B, ASN177A, ASN331A, ASN339A, ASN343A, ASN343B, ASN98B, ASP174A, ASP356B, ASP97B, GLN346A, GLN346B, GLN425A, GLU175A, GLY100B, GLY172B, GLY179A, GLY335A, GLY338A, GLY349B, GLY357B, GLY360B, GLY417A, GLY418A, HIS176A, ILE104B, ILE329A, ILE337A, ILE368B, ILE421A, LEU105B, LEU330A, LEU332A, LEU333A, LEU341A, LEU341B, LEU363B, LEU99B, MET182A, MET347B, MET353B, PHE103B, PHE106B, PHE112B, PHE321A, PHE344A, PHE344B, PHE345A, PHE345B, PHE423A, PHE531B, PRO334A, SER183A, SER328A, SER336A, SER342A, SER342B, SER354B, SER414A, THR108B, THR138A, THR326A, THR351B, THR358B, THR419A, TRP101B, TYR166A, TYR340A, VAL109B, VAL178A, VAL180A, VAL327A, VAL422A, VAL95B, VAL96B
• A-C: ALA102A, ALA133C, ALA348A, ALA352A, ALA355A, ALA561A, ALA564A, ALA94A, ARG126C, ARG129C, ARG210C, ARG350A, ARG558A, ARG562A, ARG562C, ARG565A, ARG567A, ARG568A, ARG576A, ASN177C, ASN331C, ASN339C, ASN343A, ASN343C, ASN546C, ASN560A, ASN571A, ASN98A, ASP131C, ASP174C, ASP356A, ASP547C, ASP97A, GLN346A, GLN425C, GLN556C, GLN557A, GLU132C, GLU175C, GLU552C, GLU555C, GLU566A, GLU572A, GLY100A, GLY107A, GLY179C, GLY335C, GLY338C, GLY349A, GLY357A, GLY360A, GLY418C, HIS176C, HIS573A, ILE104A, ILE130C, ILE329C, ILE337C, ILE368A, ILE421C, ILE549C, LEU105A, LEU330C, LEU332C, LEU333C, LEU341A, LEU341C, LEU363A, LEU551C, LEU563A, LEU99A, LYS575A, MET182C, MET347A, MET353A, PHE103A, PHE106A, PHE112A, PHE321C, PHE344A, PHE344C, PHE345A, PHE345C, PRO325C, PRO334C, SER328C, SER336C, SER342A, SER342C, SER354A, SER93A, THR108A, THR124C, THR326C, THR351A, THR358A, THR410C, THR419C, TRP101A, TYR166C, TYR340C, TYR553C, VAL109A, VAL178C, VAL180C, VAL327C, VAL422C, VAL548C, VAL569A, VAL96A
• B-C: ALA102C, ALA348C, ALA352C, ALA355C, ALA561C, ALA564C, ALA94C, ARG126B, ARG210B, ARG350C, ARG395B, ARG554C, ARG558C, ARG562C, ARG565C, ARG567C, ARG568C, ASN177B, ASN331B, ASN339B, ASN343B, ASN343C, ASN426B, ASN560C, ASN98C, ASP131B, ASP356C, ASP97C, GLN346B, GLN346C, GLN425B, GLN557C, GLU175B, GLU552B, GLY100C, GLY107C, GLY172C, GLY179B, GLY335B, GLY338B, GLY349C, GLY357C, GLY360C, GLY417B, GLY418B, HIS173B, HIS176B, ILE104C, ILE125B, ILE130B, ILE329B, ILE337B, ILE421B, ILE549B, LEU105C, LEU330B, LEU332B, LEU333B, LEU341B, LEU363C, LEU99C, LYS121C, MET182B, MET347C, MET353C, PHE103C, PHE106C, PHE112C, PHE321B, PHE344B, PHE344C, PHE345B, PHE345C, PHE423B, PRO334B, SER183B, SER328B, SER336B, SER342B, SER342C, SER354C, THR108C, THR124B, THR326B, THR351C, THR358C, THR419B, TRP101C, TYR166B, TYR340B, TYR553B, TYR553C, VAL109C, VAL178B, VAL180B, VAL327B, VAL422B, VAL548B, VAL96C