3UO8

crystal structure of the malt1 paracaspase (p1 form)

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-M
  • Int. Res.: 55
  • Norm. En. per Res.: -5.5161
• Hub Node: B(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
B-C	-82.8827	-65.7726	-293.551	-442.2063	144	14	10	12498	8	52	42
B-L	-64.3435	-63.6263	-177.173	-305.1428	56	16	2	6582	6	11	17
C-M	-56.3736	-66.4892	-180.522	-303.3849	55	14	2	6558	6	11	17

Interface residues

• B-C: ALA479B, ALA479C, ALA484B, ALA484C, ALA496B, ALA496C, ALA533B, ALA533C, ALA547B, ALA547C, ARG465B, ARG465C, ARG467B, ARG467C, ARG518B, ARG518C, ARG551B, ARG551C, ARG558B, ARG558C, ASN419B, ASN419C, ASN422B, ASN422C, ASN468B, ASN485B, ASN485C, ASP469B, ASP469C, ASP471B, ASP472B, ASP472C, ASP478B, ASP478C, ASP530B, ASP530C, ASP535B, ASP535C, CYS493B, CYS493C, CYS539B, CYS539C, GLN443B, GLN443C, GLN450B, GLN450C, GLN494B, GLN494C, GLN546B, GLN546C, GLU418B, GLU418C, GLU497B, GLU497C, GLU531B, GLU531C, GLU534B, GLU534C, GLU549B, GLU549C, GLU556B, GLU556C, GLY421B, GLY421C, GLY489B, GLY489C, GLY495B, GLY495C, GLY537B, GLY537C, GLY544B, GLY544C, ILE474B, ILE474C, ILE476B, ILE476C, ILE486B, ILE486C, ILE525B, ILE525C, ILE550B, ILE550C, LEU477B, LEU477C, LEU480B, LEU480C, LEU528B, LEU528C, LEU529B, LEU529C, LEU548B, LEU548C, LEU554B, LEU554C, LYS466B, LYS466C, LYS481B, LYS481C, LYS524B, LYS524C, LYS538B, LYS538C, LYS543B, LYS543C, LYS545B, LYS545C, LYS557B, LYS557C, MET536B, MET536C, PHE420B, PHE420C, PHE488B, PHE488C, PHE499B, PHE499C, PRO475B, PRO475C, SER552B, SER552C, SER553B, SER553C, SER555B, SER555C, THR473B, THR473C, THR483B, THR483C, THR492B, THR492C, THR526B, THR526C, THR542B, THR542C, TYR490B, TYR490C, VAL482B, VAL482C, VAL487B, VAL487C, VAL527B, VAL527C, VAL532B, VAL532C
• B-L: ALA361B, ALA413B, ALA491B, ALA496B, ALA498B, ALA507B, ARG2L, ARG465B, ARG4L, ASN350B, ASN508B, ASP365B, ASP462B, CYS464B, GLN502B, GLN546B, GLU497B, GLU500B, GLY349B, GLY414B, GLY416B, GLY509B, HIS415B, HIS503B, ILE348B, ILE501B, ILE510B, LEU359B, LEU363B, LEU461B, LEU541B, LYS358B, LYS360B, LYS466B, LYS513B, LYS545B, MET351B, MET463B, MET512B, PHE499B, PHE511B, PRO357B, PRO362B, PRO3L, SER504B, THR492B, THR542B, TYR353B, TYR411B, TYR412B, TYR417B, TYR434B, VAL1L, VAL364B, VAL366B, VAL426B
• C-M: ALA361C, ALA413C, ALA491C, ALA496C, ALA498C, ALA507C, ARG2M, ARG465C, ARG4M, ASN350C, ASN508C, ASP365C, ASP462C, CYS464C, GLN502C, GLN546C, GLU497C, GLU500C, GLY349C, GLY414C, GLY416C, GLY509C, HIS415C, HIS503C, ILE348C, ILE501C, ILE510C, LEU359C, LEU363C, LEU461C, LEU541C, LYS358C, LYS360C, LYS466C, LYS513C, LYS545C, MET351C, MET463C, MET512C, PHE499C, PHE511C, PRO357C, PRO362C, PRO3M, SER504C, THR492C, THR542C, TYR353C, TYR411C, TYR412C, TYR417C, VAL1M, VAL364C, VAL366C, VAL426C