1NHC

structural insights into the processivity of endopolygalacturonase i from aspergillus niger

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 92
  • Norm. En. per Res.: -1.8111
• Hub Node: B(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-C	-23.6146	55.9443	-61.5232	-29.1936	32	2	1	2276	2	25	28
B-D	-13.1201	2.5406	-33.0224	-43.6019	37	2	0	1443	0	8	12
B-E	0.0	9.5325	-0.7203	8.8122	16	0	0	142	0	12	7
C-F	0.0	0.0	-1.5624	-1.5624	9	0	0	116	0	0	6
D-E	-25.2889	33.6152	-174.947	-166.6207	92	4	0	5988	4	25	39
D-F	-9.0514	34.0009	-39.5578	-14.6084	59	11	0	2037	0	7	20
E-F	0.0	3.3938	-23.3517	-19.9579	34	1	0	1038	0	7	10

Interface residues

• A-C: ALA62A, ALA62C, ARG118A, ARG118C, ASN180C, ASP115A, ASP115C, ASP121A, ASP121C, GLU59A, GLU59C, GLU89A, GLU89C, GLY86A, GLY86C, LYS129A, LYS129C, LYS88A, LYS88C, PHE85A, PHE85C, SER117A, SER117C, SER84A, THR130A, THR130C, TRP119A, TRP119C, TRP120A, TRP120C, TYR87A, TYR87C
• B-D: ALA107B, ALA366D, ASN168B, ASP108B, ASP169B, ASP251B, ASP357D, CYS359D, CYS368D, GLN330D, GLU360D, GLY109B, GLY147B, GLY200B, GLY365D, HIS166B, ILE198B, LEU167B, LYS146B, LYS354D, LYS358D, MET106B, PHE145B, PRO363D, SER199B, SER356D, SER364D, SER367D, THR103B, THR105B, THR144B, THR221B, THR355D, TRP343D, TYR197B, VAL331D, VAL362D
• B-E: ASN126E, ASP314B, ASP342B, GLU275B, GLU89E, GLY127E, GLY128E, LYS123E, LYS129E, LYS245B, LYS88E, LYS91E, SER364B, THR130E, THR316B, THR344B
• C-F: CYS35C, GLU42F, GLU45F, GLU80C, SER41F, THR34C, THR36C, THR38C, VAL54C
• D-E: ALA258D, ALA328D, ALA366E, ASN126D, ASN174D, ASN180D, ASN184D, ASN205D, ASN256D, ASN259D, ASN299E, ASN361E, ASP121D, ASP176D, ASP178D, ASP179D, ASP207D, ASP272E, ASP288D, ASP296E, ASP314E, ASP326D, ASP327D, ASP337E, ASP342E, CYS335E, CYS340E, GLN206D, GLN295E, GLU275E, GLU294D, GLU298E, GLU325D, GLU360E, GLY124D, GLY127D, GLY177D, GLY181D, GLY182D, GLY227D, GLY228D, GLY271E, GLY285D, GLY304E, GLY309E, GLY336E, GLY338E, GLY365E, HIS183D, HIS229D, ILE286D, ILE310E, ILE312E, LEU324D, LYS123D, LYS129D, LYS245E, LYS268E, LYS354D, PRO302D, PRO306E, PRO311E, PRO363E, SER117D, SER122D, SER175D, SER226D, SER255D, SER257D, SER274E, SER301D, SER307E, SER339E, SER341E, SER364E, THR185D, THR270E, THR287D, THR303E, THR305E, THR308E, THR313E, THR329D, TRP120D, TRP343E, TYR267E, TYR289D, TYR297E, TYR332D, VAL273E, VAL292D, VAL362E
• D-F: ASN180D, ASN180F, ASN256D, ASN256F, ASN280D, ASN280F, ASP108D, ASP108F, ASP173D, ASP173F, ASP179D, ASP179F, ASP251D, ASP251F, ASP349D, ASP349F, GLN282D, GLN282F, GLU325F, GLY109D, GLY285D, GLY285F, GLY319D, GLY322D, GLY322F, ILE281D, ILE281F, ILE286D, ILE286F, LEU283D, LEU283F, LEU324F, LEU350F, LYS204D, LYS204F, SER175D, SER175F, SER226D, SER226F, SER252D, SER252F, SER255D, SER255F, SER284D, SER284F, SER351D, SER351F, THR202D, THR202F, THR224D, THR224F, THR253D, THR253F, THR321D, THR321F, THR323D, THR323F, VAL254D, VAL254F
• E-F: ALA107F, ALA366E, ASN168F, ASP108F, ASP169F, ASP357E, CYS359E, CYS368E, GLN330E, GLU360E, GLY109F, GLY147F, GLY200F, GLY365E, HIS166F, ILE198F, LEU167F, LYS146F, LYS358E, MET106F, PHE145F, PRO363E, SER199F, SER356E, SER364E, SER367E, THR103F, THR105F, THR144F, THR221F, THR355E, TYR197F, VAL331E, VAL362E