3ITU

hpde2a catalytic domain complexed with ibmx

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 82
  • Norm. En. per Res.: -2.4065
• 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	-29.548	-15.7685	-152.473	-197.7896	83	7	8	6834	1	11	19
A-D	-20.44	-9.9049	-73.1919	-103.5368	61	4	0	3236	1	33	35
B-C	-15.4718	-20.1498	-139.155	-174.7766	91	1	2	6489	1	32	34
B-D	0.0	6.9993	-21.3533	-14.354	21	0	0	882	0	14	13
C-D	-19.2641	-18.8149	-159.252	-197.3309	82	7	10	7243	5	14	22

Interface residues

• A-B: ALA710B, ALA716A, ALA716B, ALA717A, ALA717B, ALA732A, ALA732B, ALA734B, ALA736A, ALA736B, ALA839B, ARG651B, ARG701B, ARG728A, ARG728B, ARG751A, ARG751B, ARG756A, ARG762A, ARG762B, ARG797A, ASN739A, ASN739B, ASN842B, ASP759A, ASP759B, ASP763A, GLN708B, GLN733A, GLN733B, GLN755A, GLN755B, GLU722A, GLU727A, GLU837B, GLY723A, GLY841B, HIS729A, HIS729B, HIS730A, ILE735A, ILE735B, LEU715A, LEU715B, LEU718A, LEU718B, LEU738A, LEU738B, LEU758A, LEU758B, LEU760A, LEU766A, LEU766B, LEU836B, LYS712A, LYS712B, LYS752A, LYS752B, LYS793A, LYS838B, MET761A, MET840A, MET840B, PHE707B, PHE731A, PHE731B, SER711A, SER711B, SER713A, SER713B, SER720A, SER720B, SER721A, SER724A, TYR719A, TYR719B, TYR754A, TYR754B, VAL709B, VAL714A, VAL714B, VAL725A, VAL725B
• A-D: ALA784D, ALA839A, ARG651A, ARG701A, ARG790D, ASN657A, ASN679D, ASN791D, ASN792D, ASP579A, ASP613A, ASP652A, ASP699A, ASP789D, ASP835A, ASP876D, GLN708A, GLN733A, GLN781D, GLN833A, GLN875D, GLU581A, GLU612A, GLU676D, GLU785D, GLY649A, GLY702A, GLY787D, HIS700A, HIS729A, HIS795D, HIS796D, ILE737A, LEU644A, LEU698A, LEU836A, LEU877D, LYS647A, LYS648A, LYS782D, LYS828A, LYS880D, MET645A, MET783D, PHE707A, PHE878D, PRO653A, PRO654A, PRO879D, SER711A, SER713A, SER832A, THR678D, THR703A, TRP658A, TYR650A, TYR680D, TYR788D, VAL646A, VAL714A, VAL786D
• B-C: ALA594B, ALA595B, ALA710C, ALA716C, ALA771C, ALA867C, ARG775C, ARG843C, ASN627B, ASN630B, ASN631B, ASN704C, ASN705C, ASN842C, ASP580B, ASP588B, ASP597B, ASP613B, ASP614B, ASP625B, ASP635B, ASP769C, ASP779C, CYS636B, GLN591B, GLN624B, GLN708C, GLN781C, GLN833C, GLU722C, GLU837C, GLU846C, GLU864C, GLY589B, GLY723C, GLY834C, GLY841C, HIS587B, HIS772C, HIS773C, HIS865C, ILE590B, ILE596B, ILE629B, ILE634B, ILE776C, ILE866C, LEU585B, LEU586B, LEU623B, LEU770C, LEU774C, LEU780C, LEU858C, LYS584B, LYS633B, LYS673B, LYS712C, LYS778C, LYS782C, MET622B, MET626B, MET726C, MET840C, MET845C, MET847C, MET848C, PHE628B, PHE707C, PHE777C, PHE862C, PRO592B, PRO637B, PRO844C, PRO869C, SER598B, SER621B, SER706C, SER711C, SER720C, SER721C, SER724C, SER861C, THR583B, TYR582B, TYR669B, TYR672B, TYR719C, VAL593B, VAL709C, VAL725C
• B-D: ARG751B, ARG751D, ARG756D, ARG797D, ASN739B, ASN791D, ASN792D, ASP580B, ASP763D, GLN755D, GLN794D, GLY742B, HIS741B, HIS795D, HIS796D, LEU798D, LYS752D, LYS778D, LYS793D, THR583B, THR740B
• C-D: ALA710C, ALA710D, ALA716C, ALA716D, ALA717C, ALA717D, ALA732C, ALA732D, ALA734C, ALA734D, ALA736C, ALA736D, ARG728C, ARG728D, ARG751C, ARG751D, ARG756C, ARG756D, ARG762C, ARG762D, ASN739C, ASN739D, ASN744C, ASN744D, ASN842C, ASN842D, ASP753C, ASP753D, ASP759C, ASP759D, ASP763C, GLN708C, GLN708D, GLN733C, GLN733D, GLN755C, GLN755D, GLU722C, GLU722D, GLY723C, GLY723D, HIS729C, HIS729D, ILE735C, ILE735D, LEU715C, LEU715D, LEU718C, LEU718D, LEU738C, LEU738D, LEU758C, LEU758D, LEU766C, LEU766D, LYS712C, LYS712D, LYS752C, LYS752D, MET840C, MET840D, PHE707D, PHE731C, PHE731D, SER711C, SER711D, SER713C, SER713D, SER720C, SER720D, SER721C, SER721D, SER750C, SER750D, TYR719C, TYR719D, TYR754C, TYR754D, VAL709C, VAL709D, VAL714C, VAL714D