3L7L

structure of the wall teichoic acid polymerase tagf, h444n + cdpg (30 minute soak)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 46
  • Norm. En. per Res.: -2.5668
• 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	-3.8068	11.6023	-94.8365	-87.041	60	2	6	5169	0	0	30
A-C	-2.6813	0.0	-40.4042	-43.0855	17	0	3	1458	0	0	1
A-D	0.0	0.0	-47.0436	-47.0436	35	3	5	2959	0	3	11
B-C	0.0	0.0	-50.9933	-50.9933	40	2	6	3298	0	4	12
B-D	-11.0681	0.7153	-107.72	-118.0729	46	4	1	4678	0	3	18
C-D	0.0	14.8701	-95.2654	-80.3953	62	4	6	5633	0	0	32

Interface residues

• A-B: ARG320A, ARG320B, ARG324A, ARG324B, ARG332A, ARG332B, ARG333A, ARG333B, ARG459A, ARG459B, ARG470A, ASN317A, ASN317B, ASN328A, ASN328B, GLN318A, GLY462A, GLY462B, HIS325A, HIS325B, ILE329A, ILE329B, LEU323A, LEU323B, LEU331A, LEU331B, LYS315A, LYS315B, LYS321A, LYS321B, LYS327A, LYS327B, LYS467A, LYS467B, MET460A, MET460B, PHE314A, PHE314B, PHE319A, PHE319B, PRO461A, PRO461B, PRO466A, PRO466B, THR322A, THR322B, THR463A, THR463B, THR464A, THR464B, THR465A, THR465B, VAL316A, VAL316B, VAL326A, VAL326B, VAL330A, VAL330B, VAL458A, VAL458B
• A-C: ALA313C, ARG320A, ASN317A, ASN317C, GLN318A, LEU323A, LEU323C, LYS315A, LYS315C, PHE314A, PHE314C, PHE319A, PHE319C, THR322A, THR322C, VAL316A, VAL316C
• A-D: ARG324A, ARG332A, ARG332D, ARG333D, ASN328D, ASN349D, ASP348D, GLN318A, GLN318D, HIS325A, HIS325D, ILE329A, ILE329D, LEU323A, LEU331A, LEU331D, LEU340D, LEU343A, LEU343D, LYS327A, LYS327D, LYS336D, LYS346A, LYS346D, PHE314A, PHE319A, SER339D, THR322A, THR322D, THR344D, TYR341D, VAL326A, VAL326D, VAL330A, VAL330D
• B-C: ALA313C, ARG320C, ARG332B, ARG332C, ASN328B, ASN349B, ASP345B, GLN318B, GLN318C, GLN413B, GLU337B, HIS325B, HIS325C, ILE329B, ILE329C, LEU323B, LEU323C, LEU331B, LEU331C, LEU340B, LEU343B, LEU343C, LYS315C, LYS327B, LYS327C, LYS336B, LYS336C, LYS346B, PHE314C, PHE319C, SER339B, SER416B, THR322B, THR322C, THR344B, TYR341B, VAL326B, VAL326C, VAL330B, VAL330C
• B-D: ALA313B, ALA313D, ARG320B, ARG320D, ASN317B, ASN317D, ASP342B, ASP342D, ASP345B, ASP345D, ASP348B, GLN318B, GLN318D, GLU347B, GLU347D, HIS325B, HIS325D, ILE329B, LEU323B, LEU323D, LEU340B, LEU340D, LEU343B, LEU343D, LYS315B, LYS315D, LYS321B, LYS321D, LYS327B, LYS327D, LYS346B, LYS346D, PHE314B, PHE314D, PHE319B, PHE319D, THR322B, THR322D, THR344B, THR344D, VAL316B, VAL316D, VAL326B, VAL326D, VAL330B, VAL330D
• C-D: ARG320C, ARG320D, ARG324C, ARG324D, ARG332C, ARG332D, ARG333C, ARG333D, ARG459C, ARG459D, ARG470D, ASN317C, ASN317D, ASN328C, ASN328D, GLN318C, GLY462C, GLY462D, HIS325C, HIS325D, ILE329C, ILE329D, LEU323C, LEU323D, LEU331C, LEU331D, LYS315C, LYS315D, LYS321C, LYS321D, LYS327C, LYS327D, LYS456D, LYS467C, LYS467D, MET460C, MET460D, PHE314C, PHE314D, PHE319C, PHE319D, PRO461C, PRO461D, PRO466C, PRO466D, THR322C, THR322D, THR463C, THR463D, THR464C, THR464D, THR465C, THR465D, VAL316C, VAL316D, VAL326C, VAL326D, VAL330C, VAL330D, VAL457C, VAL457D, VAL458D