3NMZ

crytal structure of apc complexed with asef

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 130
  • Norm. En. per Res.: -3.9578
• 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	-13.5108	46.8836	-145.218	-111.8451	120	7	2	6272	8	45	60
A-D	0.0	0.0	-0.2133	-0.2133	7	0	0	68	0	6	9
A-C	-78.5851	-69.155	-375.358	-523.098	134	15	3	13642	5	35	28
B-D	-95.8462	-51.8893	-366.783	-514.5185	130	13	3	13552	2	34	27
B-C	0.0	0.0	-0.1185	-0.1185	8	0	0	47	0	6	8
D-C	0.0	-2.7752	-80.2937	-83.0689	40	0	1	3185	0	10	12

Interface residues

• A-B: ALA465A, ALA465B, ALA514A, ALA514B, ALA555A, ALA555B, ALA597A, ALA597B, ARG348A, ARG348B, ARG399A, ARG399B, ARG401A, ARG401B, ARG402A, ARG402B, ARG405A, ARG405B, ARG463A, ARG463B, ARG554A, ARG554B, ARG564A, ARG564B, ARG640A, ARG640B, ASN467A, ASN467B, ASN558A, ASN558B, ASN602A, ASN602B, ASN686B, ASP396A, ASP396B, ASP397A, ASP397B, ASP512A, ASP512B, ASP556A, ASP556B, CYS352A, CYS352B, CYS599A, CYS599B, GLN349A, GLN349B, GLN358A, GLU460A, GLU460B, GLU461A, GLU461B, GLU468A, GLU468B, GLU601A, GLU601B, GLY351A, GLY351B, GLY400A, GLY400B, GLY511A, GLY511B, GLY721B, HIS462A, HIS462B, HIS464A, HIS464B, HIS598A, HIS598B, HIS715A, HIS715B, ILE345A, ILE345B, ILE718A, ILE718B, LEU353A, LEU353B, LEU355A, LEU355B, LEU674A, LEU674B, LYS398A, LYS398B, LYS560A, LYS560B, LYS561A, LYS561B, LYS603A, LYS603B, LYS714A, LYS714B, LYS716A, LYS716B, MET347A, MET347B, MET717A, MET717B, MET720A, MET720B, PRO354A, PRO354B, PRO395A, PRO395B, SER346A, SER350A, SER350B, SER552B, SER644B, SER678A, SER678B, THR600A, THR600B, TRP553A, TRP553B, TRP685A, TRP685B, VAL513A, VAL513B, VAL557A, VAL557B
• A-D: ARG229D, ASP397A, GLU460A, GLU461A, GLY179D, LYS398A, PRO178D
• A-C: ALA186C, ALA226C, ALA504A, ALA545A, ALA591A, ALA597A, ALA630A, ARG229C, ARG235C, ARG249C, ARG251C, ARG463A, ARG499A, ARG549A, ARG554A, ARG623A, ARG640A, ASN188C, ASN228C, ASN253C, ASN507A, ASN550A, ASN594A, ASN627A, ASN641A, ASN679A, ASP193C, ASP225C, ASP459A, ASP512A, ASP539A, CYS451A, GLN184C, GLN211C, GLN254C, GLN541A, GLN542A, GLN625A, GLU183C, GLU189C, GLU222C, GLU240C, GLU460A, GLU538A, GLU633A, GLY179C, GLY180C, GLY181C, GLY182C, GLY194C, GLY234C, GLY241C, GLY502A, GLY511A, GLY637A, HIS173C, HIS174C, HIS177C, HIS462A, HIS492A, HIS672A, HIS715A, ILE187C, ILE191C, ILE544A, ILE631A, ILE638A, ILE676A, ILE718A, LEU185C, LEU190C, LEU250C, LEU456A, LEU505A, LEU508A, LEU540A, LEU551A, LEU589A, LEU592A, LEU595A, LEU629A, LEU674A, LYS455A, LYS516A, LYS581A, LYS586A, LYS714A, MET224C, MET454A, MET503A, MET717A, PHE458A, PHE510A, PRO178C, SER171C, SER172C, SER176C, SER192C, SER195C, SER457A, SER546A, SER552A, SER583A, SER587A, SER590A, SER596A, SER624A, SER634A, SER673A, SER678A, THR227C, THR496A, THR506A, THR509A, THR584A, THR626A, THR628A, THR675A, TRP231C, TRP232C, TRP233C, TRP242C, TRP553A, TRP593A, TYR175C, TYR500A, VAL197C, VAL223C, VAL252C, VAL452A, VAL513A, VAL543A, VAL547A, VAL677A
• B-D: ALA186D, ALA226D, ALA504B, ALA545B, ALA591B, ALA597B, ALA630B, ARG229D, ARG235D, ARG249D, ARG251D, ARG463B, ARG499B, ARG549B, ARG554B, ARG640B, ASN188D, ASN228D, ASN253D, ASN507B, ASN550B, ASN594B, ASN627B, ASN641B, ASN679B, ASP193D, ASP225D, ASP459B, ASP512B, ASP539B, CYS451B, GLN184D, GLN211D, GLN254D, GLN541B, GLN542B, GLN625B, GLU183D, GLU189D, GLU240D, GLU460B, GLU538B, GLU582B, GLU633B, GLY179D, GLY180D, GLY181D, GLY182D, GLY194D, GLY234D, GLY502B, GLY511B, GLY637B, HIS173D, HIS174D, HIS177D, HIS492B, HIS672B, HIS715B, ILE187D, ILE191D, ILE544B, ILE631B, ILE638B, ILE676B, ILE718B, LEU185D, LEU190D, LEU250D, LEU456B, LEU505B, LEU508B, LEU540B, LEU551B, LEU589B, LEU592B, LEU595B, LEU629B, LEU674B, LYS455B, LYS516B, LYS581B, LYS586B, LYS714B, MET224D, MET454B, MET503B, MET717B, PHE458B, PHE510B, PRO178D, SER172D, SER176D, SER192D, SER195D, SER457B, SER546B, SER552B, SER583B, SER587B, SER590B, SER596B, SER624B, SER634B, SER673B, SER678B, THR227D, THR496B, THR506B, THR509B, THR584B, THR626B, THR628B, THR675B, TRP231D, TRP232D, TRP233D, TRP242D, TRP553B, TRP593B, TYR175D, TYR500B, VAL197D, VAL223D, VAL252D, VAL452B, VAL513B, VAL543B, VAL547B, VAL677B
• B-C: ARG229C, ARG399B, ASP397B, GLU460B, GLU461B, GLY179C, LYS398B, PRO178C
• D-C: ALA201D, ALA217C, ALA217D, ALA245C, ALA245D, ASP204C, ASP204D, GLU212C, GLU212D, GLU230C, GLU230D, HIS173C, HIS173D, HIS174D, HIS205C, HIS205D, LEU202C, LEU202D, LYS216C, LYS216D, MET208D, PHE215C, PHE215D, PHE243C, PHE243D, PHE247C, PHE247D, PRO244C, PRO244D, SER246C, SER246D, THR207C, THR207D, TRP203C, TRP203D, TRP231C, TRP231D, TYR175D, VAL206C, VAL206D