3O4J

structure and catalysis of acylaminoacyl peptidase

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 64
  • Norm. En. per Res.: -3.0193
• 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	-58.4289	5.3732	-317.984	-371.0396	137	12	14	14539	1	44	51
A-D	0.0	-4.1883	-7.8057	-11.9941	38	0	0	806	0	23	20
B-C	-25.7538	-45.2076	-122.272	-193.2333	64	3	0	4215	3	27	33
C-D	-61.2773	14.1579	-322.621	-369.7404	138	16	14	14576	1	44	52

Interface residues

• A-B: ALA517A, ALA517B, ALA541A, ALA541B, ALA548A, ALA548B, ALA554A, ALA564A, ALA564B, ALA576B, ARG11A, ARG11B, ARG14A, ARG14B, ARG18A, ARG18B, ARG534A, ARG534B, ARG581B, ASN523A, ASN523B, ASN524A, ASN524B, ASP15A, ASP15B, ASP553A, ASP553B, ASP563A, ASP563B, GLN522A, GLN522B, GLN578A, GLN578B, GLU17A, GLU17B, GLU43A, GLU43B, GLU538A, GLU538B, GLU547A, GLU547B, GLU562A, GLU562B, GLU580A, GLU580B, GLU8A, GLU8B, GLY44A, GLY537A, GLY537B, GLY543A, GLY543B, HIS520A, HIS520B, HIS549A, HIS549B, ILE12A, ILE12B, ILE20A, ILE519A, ILE519B, ILE550A, ILE550B, ILE551A, ILE551B, ILE567A, LEU480A, LEU480B, LEU516A, LEU516B, LEU518A, LEU518B, LEU529A, LEU529B, LEU532A, LEU532B, LEU533A, LEU533B, LEU535A, LEU535B, LEU539A, LEU539B, LEU540A, LEU540B, LEU569A, LEU569B, LEU575B, LYS530A, LYS530B, LYS544A, LYS544B, LYS566A, LYS566B, LYS85A, MET536A, MET536B, MET561A, MET561B, PHE546A, PHE546B, PHE573A, PHE573B, PHE574A, PHE574B, PHE9A, PHE9B, PRO515A, PRO515B, PRO521A, PRO521B, PRO528A, PRO528B, PRO531A, PRO531B, PRO552A, PRO552B, PRO570A, PRO570B, PRO6A, PRO6B, SER10A, SER10B, SER525B, THR545A, THR545B, THR560A, THR560B, THR577A, THR577B, VAL13A, VAL13B, VAL16A, VAL16B, VAL565A, VAL565B, VAL7A, VAL7B
• A-D: ALA108A, ARG105A, ARG398D, ARG497D, ARG501D, ARG503D, ARG511D, ARG542D, ARG61A, ARG76A, ARG99A, ASN507D, ASP140A, ASP342D, ASP414D, ASP510D, GLN104A, GLU102A, GLU103A, GLU107A, GLU421D, GLU475D, GLU498D, GLY141A, GLY142A, GLY143A, GLY417D, GLY418D, HIS508D, ILE499D, LEU106A, LEU139A, LYS458D, LYS94A, MET457D, PHE341D, PHE93A, SER502D
• B-C: ALA108C, ARG105C, ARG145C, ARG345B, ARG398B, ARG428B, ARG497B, ARG501B, ARG503B, ARG511B, ARG61C, ARG76C, ARG99C, ASN96C, ASP140C, ASP342B, ASP414B, ASP510B, CYS416B, GLN104C, GLU102C, GLU103C, GLU107C, GLU339B, GLU421B, GLU432B, GLU498B, GLY101C, GLY141C, GLY142C, GLY143C, GLY343B, GLY413B, GLY417B, GLY418B, HIS508B, ILE499B, LEU106C, LEU139C, LEU144C, LEU420B, LEU461B, LYS110C, LYS458B, LYS94C, MET112C, MET457B, MET500B, PHE341B, PHE93C, PRO111C, PRO415B, PRO459B, SER340B, SER344B, SER424B, SER496B, SER502B, SER98C, THR456B, THR97C, VAL109C, VAL77C, VAL95C
• C-D: ALA517C, ALA517D, ALA541C, ALA541D, ALA548C, ALA548D, ALA554C, ALA564C, ALA564D, ALA576C, ALA576D, ARG11C, ARG11D, ARG14C, ARG14D, ARG18C, ARG18D, ARG534C, ARG534D, ARG581D, ASN523C, ASN523D, ASN524C, ASN524D, ASP15C, ASP15D, ASP553C, ASP553D, ASP563C, ASP563D, GLN522C, GLN522D, GLN578C, GLN578D, GLU17C, GLU17D, GLU43C, GLU43D, GLU538C, GLU538D, GLU547C, GLU547D, GLU562C, GLU562D, GLU580C, GLU580D, GLU8C, GLU8D, GLY44C, GLY537C, GLY537D, GLY543C, GLY543D, HIS520C, HIS520D, HIS549C, HIS549D, ILE12C, ILE12D, ILE20C, ILE519C, ILE519D, ILE550C, ILE550D, ILE551C, ILE551D, ILE567C, LEU480C, LEU516C, LEU516D, LEU518C, LEU518D, LEU529C, LEU529D, LEU532C, LEU532D, LEU533C, LEU533D, LEU535C, LEU535D, LEU539C, LEU539D, LEU540C, LEU540D, LEU569C, LEU569D, LEU575D, LYS530C, LYS530D, LYS544C, LYS544D, LYS566C, LYS566D, LYS85C, MET536C, MET536D, MET561C, MET561D, MET5C, PHE546C, PHE546D, PHE573C, PHE573D, PHE574C, PHE574D, PHE9C, PHE9D, PRO515C, PRO515D, PRO521C, PRO521D, PRO528C, PRO528D, PRO531C, PRO531D, PRO552C, PRO552D, PRO570C, PRO570D, PRO6C, PRO6D, SER10C, SER10D, SER525D, THR545C, THR545D, THR560C, THR560D, THR577C, THR577D, VAL13C, VAL13D, VAL16C, VAL16D, VAL565C, VAL565D, VAL7C, VAL7D