3ITM

catalytic domain of hpde2a

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 116
  • Norm. En. per Res.: -4.5262
• Hub Node: A(3)

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	-117.8632	0.3257	-407.503	-525.0405	116	37	9	14496	7	38	39
A-C	-12.135	-61.3301	-146.82	-220.2851	74	8	9	6327	3	38	38
A-D	-9.9652	-10.3048	-66.5985	-86.8684	45	7	0	3056	0	19	26
B-C	-12.7843	-11.0904	-55.2619	-79.1366	41	5	0	2552	0	21	27
B-D	-6.9588	-67.4283	-87.8593	-162.2464	72	4	10	4772	3	36	41
C-D	-62.3449	10.2601	-344.818	-396.9028	114	23	9	13439	4	38	40

Interface residues

• A-B: ALA710A, ALA710B, ALA717A, ALA717B, ALA771A, ALA771B, ALA839A, ALA839B, ALA853A, ALA853B, ARG701A, ARG701B, ARG728A, ARG728B, ARG762B, ARG775A, ARG775B, ARG843B, ARG850A, ARG850B, ASN704A, ASN704B, ASN705A, ASN705B, ASN842B, ASP763B, ASP769A, ASP769B, ASP849A, ASP849B, GLN708A, GLN708B, GLN833B, GLU722A, GLU722B, GLU727A, GLU727B, GLU829B, GLU837A, GLU837B, GLU846A, GLU846B, GLU851A, GLU851B, GLU857A, GLU857B, GLY702A, GLY723A, GLY723B, GLY841B, HIS729A, HIS729B, HIS772A, HIS772B, ILE765B, ILE776A, ILE776B, ILE826A, ILE826B, ILE855A, ILE855B, LEU715A, LEU715B, LEU718A, LEU718B, LEU766A, LEU766B, LEU770A, LEU774A, LEU774B, LEU836A, LEU858A, LEU858B, LYS712A, LYS712B, LYS838A, LYS838B, LYS852A, LYS852B, MET726A, MET726B, MET840A, MET840B, MET847A, MET847B, MET848A, MET848B, PHE707A, PHE707B, PHE830A, PHE830B, PHE831A, PHE831B, PRO844B, SER706A, SER706B, SER711A, SER711B, SER713A, SER713B, SER724A, SER724B, SER861A, SER861B, THR703A, THR703B, TYR827A, TYR827B, TYR854A, TYR854B, VAL709A, VAL709B, VAL714A, VAL714B, VAL725A, VAL725B
• A-C: ALA732A, ALA732C, ALA734A, ALA734C, ALA736A, ALA736C, ARG651A, ARG651C, ARG701A, ARG701C, ARG728A, ARG728C, ARG751A, ARG751C, ARG762A, ARG762C, ASN739A, ASN739C, ASN744A, ASN744C, ASP699A, ASP699C, ASP747A, ASP747C, ASP759A, ASP759C, CYS743A, CYS743C, GLN733A, GLN733C, GLN755A, GLN755C, GLU727A, GLU727C, GLY649A, GLY649C, GLY742A, GLY742C, HIS700A, HIS729A, HIS729C, HIS730A, HIS730C, HIS741A, HIS741C, HIS748A, HIS748C, ILE735A, ILE735C, ILE737A, ILE737C, LEU698A, LEU698C, LEU738A, LEU738C, LEU758A, LEU758C, LYS752A, LYS752C, MET645A, MET726A, MET726C, PHE731A, PHE731C, PHE746A, PHE746C, PHE749A, PHE749C, SER750A, SER750C, THR740A, THR740C, TYR754A, TYR754C
• A-D: ALA839A, ALA839D, ARG651A, ARG651D, ARG701A, ARG843D, ASN842D, ASP579D, ASP652A, ASP652D, ASP697A, ASP699A, ASP699D, GLN733A, GLN733D, GLN833D, GLU837A, GLU837D, GLY649A, GLY649D, GLY841D, HIS700A, ILE737A, LEU698A, LEU698D, LEU836A, LYS647A, LYS647D, LYS648A, LYS648D, LYS838A, LYS838D, MET645A, MET840A, MET845A, MET845D, MET847D, PRO653D, PRO844D, SER832A, SER832D, TYR650A, TYR650D, VAL646A, VAL646D
• B-C: ALA839B, ALA839C, ARG651B, ARG651C, ARG701C, ARG843B, ASN842B, ASP579C, ASP652B, ASP652C, ASP697C, ASP699C, GLN733B, GLN733C, GLN833B, GLU837B, GLU837C, GLU846B, GLY649B, GLY649C, GLY841B, HIS700C, HIS729C, HIS730C, ILE737C, LEU698B, LEU698C, LYS647B, LYS647C, LYS648B, LYS648C, LYS838B, LYS838C, MET840C, PRO653B, PRO653C, PRO844B, SER832C, TYR650B, TYR650C, VAL646C
• B-D: ALA732B, ALA732D, ALA734B, ALA734D, ALA736B, ALA736D, ARG651B, ARG651D, ARG701B, ARG701D, ARG728B, ARG728D, ARG751B, ARG751D, ARG762B, ARG762D, ASN739B, ASN739D, ASN744B, ASN744D, ASP699B, ASP699D, ASP747B, ASP747D, ASP759B, ASP759D, CYS743B, CYS743D, GLN733B, GLN733D, GLN755B, GLN755D, GLU727B, GLU727D, GLY649B, GLY649D, GLY742B, GLY742D, HIS700B, HIS700D, HIS729B, HIS729D, HIS730B, HIS730D, HIS741B, HIS741D, HIS748B, HIS748D, ILE735B, ILE735D, ILE737B, ILE737D, LEU698B, LEU698D, LEU738B, LEU738D, LEU758B, LEU758D, LYS648B, LYS648D, MET726B, MET726D, PHE731B, PHE731D, PHE746D, PHE749D, SER750D, THR703B, THR740B, THR740D, TYR754B, TYR754D
• C-D: ALA710C, ALA710D, ALA717C, ALA717D, ALA771C, ALA771D, ALA823C, ALA839C, ALA839D, ALA853C, ALA853D, ARG701C, ARG701D, ARG728C, ARG728D, ARG762D, ARG775C, ARG775D, ARG843D, ARG850C, ARG850D, ASN704C, ASN704D, ASN705C, ASN705D, ASN842D, ASP769C, ASP849D, GLN708C, GLN708D, GLN833D, GLN859D, GLU722C, GLU727C, GLU727D, GLU829D, GLU837C, GLU837D, GLU846C, GLU846D, GLU851C, GLU851D, GLU857C, GLU857D, GLY702C, GLY723C, GLY723D, GLY841D, HIS729C, HIS729D, HIS772C, HIS772D, HIS773C, ILE776D, ILE826C, ILE826D, ILE855C, ILE855D, LEU715C, LEU715D, LEU718C, LEU718D, LEU766C, LEU766D, LEU770C, LEU774C, LEU774D, LEU858C, LEU858D, LYS712C, LYS712D, LYS828C, LYS838C, LYS838D, LYS852C, LYS852D, MET726C, MET726D, MET840C, MET840D, MET847C, MET847D, MET848C, MET848D, PHE707C, PHE707D, PHE830C, PHE830D, PHE831C, PHE831D, PRO844D, SER706C, SER706D, SER711C, SER711D, SER713C, SER713D, SER724C, SER724D, SER832C, SER861C, SER861D, THR703C, THR703D, TYR827C, TYR827D, TYR854C, TYR854D, VAL709C, VAL709D, VAL714C, VAL714D, VAL725C, VAL725D