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PISA Interface List.

Session Map (id=656-04-HJL)

Interfaces in PDB 7b83 crystal.
Space symmetry group: C 1 2 1. Resolution: 1.80 Å

STRUCTURE OF SARS-COV-2 MAIN PROTEASE BOUND TO PYRITHIONE ZINC

Interfaces

##		Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
NN	«»	Range	ⁱN_at	ⁱN_res	Surface Å²	×	Range	Symmetry op-n	Sym.ID	ⁱN_at	ⁱN_res	Surface Å²	interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
`1`		A	`162`	`50`	`14253`	`◊`	A	-x,y,-z	`2_555`	`161`	`50`	`14253`	`1553.5`	`-16.4`	`0.207`	`12`	`10`	`0`	`0.279`
`2`		A	`50`	`16`	`14253`	`x`	A	x,y,z-1	`1_554`	`43`	`14`	`14253`	`412.0`	`-5.3`	`0.274`	`1`	`0`	`0`	`0.000`
`3`		A	`44`	`14`	`14253`	`◊`	A	-x,y,-z-1	`2_554`	`43`	`14`	`14253`	`356.7`	`0.4`	`0.771`	`0`	`0`	`0`	`0.000`
`4`		A	`31`	`9`	`14253`	`x`	A	x,y-1,z+1	`1_546`	`33`	`9`	`14253`	`324.9`	`0.3`	`0.730`	`2`	`5`	`0`	`0.000`
`5`		A	`26`	`11`	`14253`	`x`	A	-x+1/2,y-1/2,-z+1	`4_546`	`32`	`13`	`14253`	`274.5`	`-2.4`	`0.422`	`0`	`0`	`0`	`0.000`
`6`		A	`17`	`6`	`14253`	`x`	A	-x,y-1,-z	`2_545`	`23`	`5`	`14253`	`195.1`	`-0.9`	`0.326`	`0`	`0`	`0`	`0.000`
`7`		[PK8]A:401	`9`	`1`	`276`	`f`	A	x,y,z	`1_555`	`23`	`10`	`14253`	`145.9`	`-18.7`	`0.335`	`0`	`0`	`0`	`0.450`
`8`		[DMS]A:403	`4`	`1`	`208`	`f`	A	x,y,z	`1_555`	`20`	`10`	`14253`	`124.6`	`1.7`	`0.375`	`1`	`0`	`0`	`0.000`
`9`		A	`13`	`6`	`14253`	`x`	A	x,y-1,z	`1_545`	`15`	`5`	`14253`	`106.8`	`0.8`	`0.787`	`1`	`0`	`0`	`0.000`
`10`		A	`17`	`5`	`14253`	`◊`	[IMD]A:402	x,y-1,z+1	`1_546`	`5`	`1`	`196`	`97.8`	`2.8`	`0.252`	`0`	`0`	`0`	`0.000`
`11`		A	`14`	`7`	`14253`	`x`	A	-x+1/2,y-1/2,-z	`4_545`	`10`	`4`	`14253`	`87.1`	`0.4`	`0.736`	`0`	`0`	`0`	`0.000`
`12`		[IMD]A:402	`5`	`1`	`196`	`f`	A	x,y,z	`1_555`	`13`	`4`	`14253`	`73.6`	`1.9`	`0.169`	`0`	`0`	`0`	`0.000`
`13`		[CL]A:404	`1`	`1`	`125`	`f`	A	x,y,z	`1_555`	`11`	`6`	`14253`	`70.6`	`-12.5`	`0.000`	`0`	`0`	`0`	`0.300`
`14`		[DMS]A:403	`3`	`1`	`208`	`f`	[PK8]A:401	x,y,z	`1_555`	`4`	`1`	`276`	`27.8`	`-2.5`	`0.294`	`0`	`0`	`0`	`0.061`
`15`		[DMS]A:403	`1`	`1`	`208`	`◊`	A	-x,y,-z	`2_555`	`2`	`1`	`14253`	`13.2`	`0.6`	`0.627`	`0`	`0`	`0`	`0.000`

PDBe PISA v1.52 [20/10/2014]