3NMX

crystal structure of apc complexed with asef

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 77
  • Norm. En. per Res.: -4.7736
• 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	-18.7537	-35.1844	-63.3174	-117.2555	47	5	0	2791	1	25	24
A-C	-33.0769	-28.7974	-91.9616	-153.836	92	11	0	5127	6	27	33
A-D	-87.9645	-25.3167	-254.289	-367.5702	77	8	2	7969	1	12	6
B-C	0.0	17.8554	-50.3696	-32.5142	69	0	1	2806	0	30	27
B-E	-77.6842	-20.3152	-254.15	-352.1494	75	10	2	7944	1	12	6
B-F	0.0	-1.8117	-61.8562	-63.6679	34	2	3	2854	0	3	4
C-D	0.0	0.0	-0.0029	-0.0029	2	0	0	1	0	0	2
C-E	-3.6713	-1.9449	-62.3191	-67.9354	33	4	3	2904	0	3	4
C-F	-74.224	-21.2494	-247.083	-342.5564	76	10	2	7849	1	12	6
E-F	0.0	0.0	-11.9534	-11.9534	11	1	2	662	0	0	0

Interface residues

• A-B: ALA604A, ALA608A, ALA647A, ALA719B, ARG564A, ARG623B, ARG653A, ARG657A, ASN627B, ASN649A, ASN691A, ASN709B, ASP605A, ASP610A, ASP651A, CYS599A, CYS607A, GLN654A, GLU565A, GLU601A, GLU650A, GLU658A, HIS652A, HIS672B, HIS712B, HIS715B, ILE646A, ILE655A, ILE718B, LEU629B, LEU645A, LEU674B, LEU710B, LYS561A, LYS570A, LYS603A, LYS670B, LYS693A, LYS714B, LYS716B, SER671B, SER673B, SER713B, THR600A, THR648A, VAL557A, VAL677B
• A-C: ALA415C, ALA465C, ALA474C, ALA514C, ALA517C, ALA597A, ALA604A, ALA647A, ALA689A, ALA719A, ALA723A, ALA724A, ALA725A, ALA731A, ARG414C, ARG463C, ARG554A, ARG564A, ARG640A, ARG690A, ARG727A, ASN467C, ASN515C, ASN558C, ASN641A, ASN649A, ASN686A, ASN691A, ASN728A, ASN732A, ASP512C, ASP556A, CYS525C, CYS599A, GLN412C, GLN445C, GLN473C, GLN480C, GLN695A, GLU411C, GLU418C, GLU422C, GLU460C, GLU461C, GLU468C, GLU477C, GLU601A, GLY470C, GLY471C, GLY524C, GLY721A, HIS403C, HIS404C, HIS405C, HIS408C, HIS444C, HIS462C, HIS464C, HIS598A, HIS712A, ILE646A, LEU407C, LEU410C, LEU469C, LEU472C, LEU508C, LEU645A, LYS523C, LYS560A, LYS603A, LYS716A, MET466C, MET522C, MET717A, MET720A, MET730A, SER521C, SER596A, SER643A, SER644A, SER688A, THR419C, THR518C, THR600A, THR648A, TRP421C, TRP423C, TRP553A, TRP685A, VAL513C, VAL557A, VAL642A
• A-D: ALA186D, ALA504A, ALA545A, ALA591A, ALA597A, ALA630A, ARG463A, ARG499A, ARG549A, ARG554A, ARG640A, ASN188D, ASN507A, ASN550A, ASN594A, ASN641A, ASN679A, ASP459A, ASP512A, ASP539A, GLN184D, GLN541A, GLN542A, GLU183D, GLU189D, GLU460A, GLU538A, GLU633A, GLY180D, GLY181D, GLY182D, GLY502A, GLY511A, GLY637A, HIS492A, ILE187D, ILE191D, ILE544A, ILE638A, LEU185D, LEU190D, LEU505A, LEU508A, LEU540A, LEU551A, LEU589A, LEU592A, LEU595A, LYS455A, LYS516A, LYS586A, MET454A, MET503A, PHE458A, PHE510A, SER192D, SER457A, SER546A, SER552A, SER583A, SER587A, SER590A, SER596A, SER634A, SER678A, THR496A, THR506A, THR509A, THR584A, THR628A, THR675A, TRP553A, TRP593A, TYR500A, VAL513A, VAL543A, VAL547A
• B-C: ALA630B, ALA630C, ARG463B, ARG463C, ARG549B, ASN507B, ASN507C, ASN627B, ASN627C, ASP459B, ASP459C, GLN412B, GLN412C, GLN445B, GLN445C, GLN542B, GLN542C, GLN625B, GLU460B, GLU460C, GLU461B, GLU461C, GLU633B, GLU633C, HIS403B, HIS403C, HIS404B, HIS404C, HIS405B, HIS405C, HIS408B, HIS408C, HIS462B, HIS462C, HIS672B, HIS672C, ILE676B, LEU407C, LEU409B, LEU409C, LEU456B, LEU629B, LEU629C, LEU674B, LEU674C, LYS455B, LYS455C, LYS586B, LYS586C, MET406B, MET406C, MET503B, PHE458B, PHE458C, PHE510B, PHE510C, PRO448B, PRO448C, SER583B, SER583C, SER673B, SER673C, THR626B, THR626C, THR628B, THR628C, THR675B, VAL452B, VAL452C
• B-E: ALA186E, ALA504B, ALA545B, ALA591B, ALA597B, ALA630B, ARG463B, ARG499B, ARG549B, ARG554B, ARG640B, ASN188E, ASN507B, ASN550B, ASN594B, ASN641B, ASN679B, ASP459B, ASP512B, ASP539B, GLN184E, GLN541B, GLN542B, GLU183E, GLU189E, GLU460B, GLU538B, GLU633B, GLY180E, GLY181E, GLY182E, GLY502B, GLY511B, GLY637B, HIS492B, ILE187E, ILE191E, ILE544B, ILE638B, LEU185E, LEU190E, LEU505B, LEU508B, LEU540B, LEU551B, LEU589B, LEU592B, LEU595B, LYS455B, LYS516B, LYS581B, LYS586B, MET454B, MET503B, PHE458B, PHE510B, SER192E, SER457B, SER546B, SER552B, SER583B, SER587B, SER590B, SER596B, SER634B, THR496B, THR506B, THR509B, THR584B, THR675B, TRP553B, TRP593B, TYR500B, VAL543B, VAL547B
• B-F: ALA186F, ARG463B, ARG499B, ASN188F, ASN507B, ASP459B, CYS447B, CYS451B, GLN184F, GLU183F, GLU189F, GLU460B, GLU461B, HIS403B, HIS405B, HIS462B, HIS492B, ILE187F, ILE191F, LEU185F, LEU190F, LEU456B, LYS455B, MET406B, MET454B, MET466B, MET503B, PHE458B, PRO448B, SER192F, SER457B, THR496B, TYR500B, VAL452B
• C-D: GLU418C, GLY180D
• C-E: ALA186E, ARG463C, ARG499C, ASN188E, ASN507C, ASP459C, CYS447C, CYS451C, GLN184E, GLU183E, GLU189E, GLU460C, GLU461C, HIS405C, HIS462C, HIS492C, ILE187E, ILE191E, LEU185E, LEU190E, LEU456C, LYS455C, MET406C, MET454C, MET466C, MET503C, PHE458C, PRO448C, SER192E, SER457C, THR496C, TYR500C, VAL452C
• C-F: ALA186F, ALA504C, ALA545C, ALA591C, ALA597C, ALA630C, ARG463C, ARG499C, ARG549C, ARG554C, ARG640C, ASN188F, ASN507C, ASN550C, ASN594C, ASN641C, ASN679C, ASP459C, ASP512C, ASP539C, GLN184F, GLN541C, GLN542C, GLU183F, GLU189F, GLU460C, GLU538C, GLU633C, GLY180F, GLY181F, GLY182F, GLY502C, GLY511C, GLY637C, HIS492C, HIS598C, ILE187F, ILE191F, ILE544C, ILE638C, LEU185F, LEU190F, LEU505C, LEU508C, LEU540C, LEU551C, LEU589C, LEU592C, LEU595C, LYS455C, LYS516C, LYS586C, MET454C, MET503C, MET717C, PHE458C, PHE510C, SER457C, SER546C, SER552C, SER583C, SER587C, SER590C, SER596C, SER634C, THR496C, THR506C, THR509C, THR584C, THR675C, TRP553C, TRP593C, TYR500C, VAL513C, VAL543C, VAL547C
• E-F: ALA186F, ILE187E, ILE187F, ILE191E, ILE191F, LEU185E, LEU185F, LEU190E, LEU190F, SER192E, SER192F