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PISA Interface List.

Session Map (id=272-H3-4H9)

Interfaces in PDB 2d2d crystal.
Space symmetry group: P 1 21 1. Resolution: 2.70 Å

CRYSTAL STRUCTURE OF SARS-COV MPRO IN COMPLEX WITH AN INHIBITOR I2

Interfaces

##			Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
Id	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	`1`		B	`128`	`37`	`13460`	`◊`	A	x,y,z	`1_555`	`128`	`40`	`13437`	`1216.6`	`-10.1`	`0.362`	`25`	`6`	`0`	`0.937`
2	`2`		B	`74`	`25`	`13460`	`◊`	A	x-1,y,z	`1_455`	`64`	`21`	`13437`	`643.7`	`-7.8`	`0.236`	`1`	`5`	`0`	`0.000`
3	`3`		[ENB]A:307	`39`	`1`	`859`	`cf`	A	x,y,z	`1_555`	`85`	`27`	`13437`	`551.6`	`3.0`	`0.366`	`5`	`0`	`0`	`0.100`
	`4`		[ENB]B:1145	`38`	`1`	`840`	`cf`	B	x,y,z	`1_555`	`77`	`25`	`13460`	`528.0`	`1.6`	`0.337`	`8`	`0`	`0`	`0.100`
	*Average:*													`539.8`	`2.3`	`0.352`	`7`	`0`	`0`	`0.100`
4	`5`		B	`46`	`11`	`13460`	`x`	B	x,y,z-1	`1_554`	`37`	`9`	`13460`	`361.2`	`-1.2`	`0.672`	`5`	`3`	`0`	`0.000`
5	`6`		B	`10`	`5`	`13460`	`◊`	A	-x+3,y-1/2,-z	`2_845`	`18`	`5`	`13437`	`142.5`	`-1.0`	`0.499`	`0`	`0`	`0`	`0.000`
6	`7`		[ENB]A:307	`2`	`1`	`859`	`◊`	B	x,y,z	`1_555`	`2`	`1`	`13460`	`17.0`	`-0.3`	`0.325`	`0`	`0`	`0`	`0.014`
7	`8`		B	`1`	`1`	`13460`	`◊`	A	-x+3,y-1/2,-z+1	`2_846`	`1`	`1`	`13437`	`0.7`	`0.0`	`0.697`	`0`	`0`	`0`	`0.000`

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