3I5K

crystal structure of the ns5b polymerase from hepatitis c virus (hcv) strain jfh1

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 87
  • Norm. En. per Res.: -4.5221
• 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	0.0	55.0688	-56.5497	-1.4809	29	4	0	2296	0	9	27
A-C	-74.4977	-184.5329	-133.024	-392.0546	89	9	0	5218	12	66	31
A-D	-22.7155	-4.9981	-97.7233	-125.4369	59	9	0	4295	1	22	23
B-C	-41.0277	-45.2965	-60.3732	-146.6974	50	4	0	2832	2	18	21
B-D	-70.8198	-186.639	-135.96	-393.4189	87	8	0	5222	12	66	30

Interface residues

• A-B: ALA373A, ALA373B, ARG377A, ARG377B, ARG379A, ARG379B, ARG380A, ARG380B, ARG381A, ARG381B, GLY375A, GLY375B, GLY378A, GLY378B, HIS475A, HIS479B, LEU205B, LEU374A, LEU374B, LYS206A, LYS212B, PRO376A, SER478B, THR476A, THR476B, TYR382A, TYR382B, VAL372A, VAL372B
• A-C: ALA486A, ALA486C, ALA494A, ARG334A, ARG334C, ARG337A, ARG337C, ARG355A, ARG355C, ARG484A, ARG484C, ARG490A, ARG490C, ARG498A, ARG498C, ASP213A, ASP213C, ASP332A, ASP332C, ASP359A, ASP359C, GLN327A, GLN327C, GLU330A, GLU330C, GLU331A, GLU331C, GLU333A, GLU333C, GLU357A, GLU357C, GLU361A, GLU361C, GLU481A, GLU481C, GLY328A, GLY328C, HIS479A, HIS479C, HIS480A, HIS480C, ILE419A, ILE419C, LEU362A, LEU362C, LEU482A, LEU482C, LEU489A, LEU489C, LEU497A, LEU497C, LYS212A, LYS212C, MET215A, MET215C, MET423A, MET423C, PRO214A, PRO214C, PRO356A, PRO356C, PRO495A, PRO495C, PRO496A, PRO496C, SER326A, SER326C, SER478A, SER478C, SER487A, SER487C, THR329A, THR329C, THR476A, THR476C, THR483A, THR483C, TRP208A, TRP208C, TRP500A, TRP500C, TYR358A, TYR358C, TYR477A, TYR477C, VAL485A, VAL485C, VAL499A, VAL499C
• A-D: ALA207D, ALA209D, ALA461A, ALA542A, ARG377A, ARG377D, ARG379D, ARG380D, ARG381D, ARG465A, ARG543A, ASP213D, ASP470D, ASP546A, GLN180A, GLN184A, GLN194A, GLN199A, GLU202D, GLU210D, GLU325D, GLU464A, GLU541A, GLY378D, LEU205D, LEU466A, LEU469A, LEU534A, LEU536A, LEU539A, LEU544A, LEU545A, LEU547A, LYS181A, LYS206D, LYS211D, LYS212D, LYS533A, LYS535A, LYS535D, PRO214D, PRO376D, PRO538A, PRO540A, SER548A, SER549A, SER565A, THR532A, THR537A, THR552A, TRP208D, TRP550A, TYR358D, TYR382D, TYR524A, VAL201D, VAL372D, VAL553A, VAL566A
• B-C: ALA198C, ALA207C, ALA209C, ALA310C, ARG377B, ARG377C, ARG379C, ARG381C, ARG465B, ARG543B, ARG81B, ASP213C, ASP546B, GLN194B, GLN199B, GLN199C, GLU202C, GLU210C, GLU325C, GLU464B, GLY378B, LEU205C, LEU466B, LEU469B, LEU536B, LEU539B, LEU544B, LEU545B, LEU547B, LYS181B, LYS206C, LYS211C, LYS212C, LYS535B, LYS535C, PRO214C, PRO376B, PRO538B, PRO540B, SER473B, SER548B, SER549B, THR537B, THR552B, TRP208C, TRP550B, TYR203C, VAL201C, VAL309C, VAL553B
• B-D: ALA486B, ALA486D, ALA494B, ARG334B, ARG334D, ARG337B, ARG337D, ARG355B, ARG355D, ARG484B, ARG484D, ARG490B, ARG490D, ARG498B, ARG498D, ASP213B, ASP213D, ASP332B, ASP332D, ASP359B, ASP359D, GLN327B, GLN327D, GLU330B, GLU330D, GLU331B, GLU331D, GLU333B, GLU333D, GLU357B, GLU357D, GLU361D, GLU481B, GLU481D, GLY328B, GLY328D, HIS479B, HIS479D, HIS480B, HIS480D, ILE419B, ILE419D, LEU362B, LEU362D, LEU482B, LEU482D, LEU489B, LEU489D, LEU497B, LEU497D, LYS212B, LYS212D, MET215B, MET215D, MET423B, MET423D, PRO214B, PRO214D, PRO356B, PRO356D, PRO495B, PRO495D, PRO496B, PRO496D, SER326B, SER326D, SER478B, SER478D, SER487B, SER487D, THR329B, THR329D, THR476B, THR476D, THR483B, THR483D, TRP208B, TRP208D, TRP500B, TRP500D, TYR358B, TYR358D, TYR477D, VAL485B, VAL485D, VAL499B, VAL499D