1VHC

crystal structure of a putative khg/kdpg aldolase

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-F
  • Int. Res.: 40
  • Norm. En. per Res.: -2.9807
• Hub Node: A(4)

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	-6.7085	-17.8363	-100.587	-125.1318	65	4	1	4839	1	7	2
A-C	-7.9346	-16.2088	-94.288	-118.4313	57	1	1	4513	2	7	2
A-D	0.0	0.0	-4.4125	-4.4125	7	0	0	199	1	5	4
A-E	-22.5882	-19.579	-73.4551	-115.6222	41	3	8	3626	4	10	8
B-C	-9.5829	-17.6519	-106.303	-133.5378	61	5	1	4744	2	7	2
B-D	-10.3073	-9.8863	-73.5081	-93.7017	41	3	8	3594	2	10	8
B-F	0.0	0.0	-4.4026	-4.4026	6	0	0	198	1	5	4
C-E	0.0	0.0	-5.478	-5.478	8	0	0	226	2	6	4
C-F	-24.3461	-19.9334	-74.9496	-119.2291	40	3	8	3616	4	10	8
D-E	-11.1449	-18.7618	-103.138	-133.0448	61	4	1	4794	2	7	1
D-F	-13.2001	-18.7737	-107.53	-139.5038	62	5	2	4931	2	7	2
E-F	-12.2428	-19.9154	-99.1067	-131.2649	60	5	1	4756	2	7	1

Interface residues

• A-B: ALA120A, ALA120B, ALA124A, ALA137B, ALA139B, ALA148A, ALA154A, ALA77B, ARG49B, ASN116A, ASN116B, ASN117A, ASN117B, ASN168B, ASN97B, GLN155A, GLU122A, GLU126A, GLU138B, GLY114B, GLY141A, GLY141B, GLY142A, GLY142B, GLY151A, GLY162B, GLY163B, GLY72B, GLY95B, HIS167B, ILE100B, ILE121A, ILE123A, ILE123B, ILE146A, LEU125A, LEU149A, LEU150A, LEU75B, LEU96B, LYS133B, LYS144A, LYS147A, LYS99B, PHE134A, PHE134B, PHE135B, PRO118A, PRO118B, PRO136B, PRO152A, PRO94B, PRO98B, SER140A, SER140B, THR161B, THR47B, THR73B, THR76B, THR93B, TYR153A, VAL115B, VAL143A, VAL20B, VAL74B
• A-C: ALA120A, ALA120C, ALA137A, ALA139A, ALA148C, ALA154C, ARG49A, ASN116A, ASN116C, ASN117A, ASN117C, ASN97A, GLN155C, GLU122C, GLU126C, GLU138A, GLY114A, GLY141A, GLY141C, GLY142C, GLY151C, GLY162A, GLY163A, GLY72A, GLY95A, ILE100A, ILE121C, ILE123A, ILE123C, ILE146C, LEU125C, LEU149C, LEU150C, LEU75A, LEU96A, LYS144C, LYS147C, LYS99A, PHE134A, PHE134C, PHE135A, PRO118C, PRO136A, PRO152C, PRO94A, PRO98A, SER140A, SER140C, THR161A, THR47A, THR73A, THR76A, THR93A, TYR153C, VAL115A, VAL143C, VAL74A
• A-D: ASP106A, ASP106D, GLU126A, GLU126D, LEU125D, LYS102A, LYS102D
• A-E: ALA77A, ALA77E, ASN108A, ASN108E, ASN97A, ASN97E, ASP106A, ASP106E, CYS104A, CYS104E, GLN105A, GLN105E, GLN79A, GLN79E, GLU78A, GLU78E, ILE100A, ILE100E, LEU103A, LEU103E, LEU107A, LEU107E, LEU82A, LEU82E, LYS102A, LYS102E, LYS84A, LYS84E, LYS99A, LYS99E, PHE109A, PHE109E, PRO98A, SER85A, SER85E, THR76A, THR76E, VAL80A, VAL80E, VAL81A, VAL81E
• B-C: ALA120B, ALA120C, ALA124B, ALA137C, ALA139C, ALA148B, ALA154B, ALA77C, ARG49C, ASN116B, ASN116C, ASN117B, ASN117C, ASN177B, ASN97C, GLN155B, GLU122B, GLU126B, GLU138C, GLY114C, GLY141B, GLY141C, GLY142B, GLY151B, GLY162C, GLY163C, GLY72C, GLY95C, ILE100C, ILE121B, ILE123B, ILE123C, ILE146B, LEU125B, LEU149B, LEU150B, LEU75C, LEU96C, LYS144B, LYS147B, LYS99C, PHE134B, PHE134C, PHE135C, PRO118B, PRO118C, PRO136C, PRO152B, PRO94C, PRO98C, SER140B, SER140C, THR161C, THR47C, THR73C, THR76C, THR93C, TYR153B, VAL115C, VAL143B, VAL74C
• B-D: ALA77B, ALA77D, ASN108B, ASN108D, ASN97B, ASP106B, ASP106D, CYS104B, CYS104D, GLN105B, GLN105D, GLN79B, GLN79D, GLU78B, GLU78D, ILE100B, ILE100D, LEU103B, LEU103D, LEU107B, LEU107D, LEU82B, LEU82D, LYS102B, LYS102D, LYS84B, LYS84D, LYS99B, LYS99D, PHE109B, PHE109D, PRO98B, PRO98D, SER85B, SER85D, THR76B, THR76D, VAL80B, VAL80D, VAL81B, VAL81D
• B-F: ASP106B, ASP106F, GLU126B, GLU126F, LYS102B, LYS102F
• C-E: ASP106C, ASP106E, GLU126C, GLU126E, LEU125C, LEU125E, LYS102C, LYS102E
• C-F: ALA77C, ALA77F, ASN108C, ASN108F, ASN97C, ASN97F, ASP106C, ASP106F, CYS104C, CYS104F, GLN105C, GLN105F, GLN79C, GLN79F, GLU78C, GLU78F, ILE100C, ILE100F, LEU103C, LEU103F, LEU107C, LEU107F, LEU82C, LEU82F, LYS102C, LYS102F, LYS84C, LYS84F, LYS99C, LYS99F, PHE109C, PHE109F, SER85C, SER85F, THR76C, THR76F, VAL80C, VAL80F, VAL81C, VAL81F
• D-E: ALA120D, ALA120E, ALA124D, ALA137E, ALA139E, ALA148D, ALA154D, ALA77E, ARG49E, ASN116D, ASN116E, ASN117D, ASN117E, ASN97E, GLN155D, GLU122D, GLU126D, GLU138E, GLY114E, GLY141D, GLY141E, GLY142D, GLY142E, GLY151D, GLY162E, GLY163E, GLY72E, GLY95E, ILE100E, ILE121D, ILE123D, ILE123E, ILE146D, LEU125D, LEU149D, LEU150D, LEU75E, LEU96E, LYS133E, LYS144D, LYS147D, LYS99E, PHE134D, PHE134E, PHE135E, PRO118D, PRO136E, PRO152D, PRO94E, PRO98E, SER140D, SER140E, THR161E, THR47E, THR73E, THR76E, THR93E, TYR153D, VAL115E, VAL143D, VAL74E
• D-F: ALA120D, ALA120F, ALA124F, ALA137D, ALA139D, ALA148F, ALA154F, ALA77D, ARG49D, ASN116D, ASN116F, ASN117D, ASN117F, ASN97D, GLN155F, GLU122F, GLU126F, GLU138D, GLY114D, GLY141D, GLY141F, GLY142D, GLY142F, GLY151F, GLY162D, GLY163D, GLY72D, GLY95D, ILE100D, ILE121F, ILE123D, ILE123F, ILE146F, LEU125F, LEU149F, LEU150F, LEU75D, LEU96D, LYS144F, LYS147F, LYS99D, PHE134D, PHE134F, PHE135D, PRO118D, PRO118F, PRO136D, PRO152F, PRO94D, PRO98D, SER140D, SER140F, THR161D, THR47D, THR73D, THR76D, THR93D, TYR153F, VAL115D, VAL143F, VAL20D, VAL74D
• E-F: ALA120E, ALA120F, ALA124E, ALA137F, ALA139F, ALA148E, ALA154E, ALA77F, ARG49F, ASN116E, ASN116F, ASN117E, ASN117F, ASN97F, GLN155E, GLU122E, GLU126E, GLU138F, GLY114F, GLY141E, GLY141F, GLY142E, GLY142F, GLY151E, GLY162F, GLY163F, GLY95F, ILE100F, ILE121E, ILE123E, ILE123F, ILE146E, LEU125E, LEU149E, LEU150E, LEU75F, LEU96F, LYS133F, LYS144E, LYS147E, LYS99F, PHE134E, PHE134F, PHE135F, PRO118E, PRO136F, PRO152E, PRO94F, PRO98F, SER140E, SER140F, THR161F, THR47F, THR73F, THR76F, THR93F, TYR153E, VAL115F, VAL143E, VAL74F