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PISA Interface List.

Session Map (id=272-5L-52L)

Interfaces in PDB 3bgd crystal.
Space symmetry group: P 1 21 1. Resolution: 2.00 Å

THIOPURINE S-METHYLTRANSFERASE

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`		A	`67`	`22`	`10890`	`◊`	B	-x,y-1/2,-z+1	`2_546`	`65`	`21`	`10856`	`594.1`	`-4.6`	`0.271`	`12`	`5`	`0`	`0.000`
2	`2`		A	`45`	`14`	`10890`	`◊`	B	-x+1,y-1/2,-z+2	`2_647`	`46`	`12`	`10856`	`417.8`	`-1.8`	`0.378`	`7`	`1`	`0`	`0.000`
	`3`		A	`44`	`13`	`10890`	`◊`	B	-x,y-1/2,-z+2	`2_547`	`44`	`14`	`10856`	`412.6`	`-1.1`	`0.473`	`7`	`1`	`0`	`0.000`
	*Average:*													`415.2`	`-1.4`	`0.426`	`7`	`1`	`0`	`0.000`
3	`4`		[PM6]A:301	`10`	`1`	`286`	`f`	A	x,y,z	`1_555`	`30`	`15`	`10890`	`209.9`	`-0.1`	`0.420`	`1`	`0`	`0`	`0.027`
4	`5`		[PM6]B:301	`10`	`1`	`285`	`f`	B	x,y,z	`1_555`	`29`	`14`	`10856`	`199.8`	`1.0`	`0.506`	`0`	`0`	`0`	`0.000`
5	`6`		B	`25`	`8`	`10856`	`◊`	A	x,y,z	`1_555`	`19`	`7`	`10890`	`179.4`	`1.8`	`0.792`	`1`	`2`	`0`	`0.000`
6	`7`		[PM6]B:302	`10`	`1`	`285`	`f`	B	x,y,z	`1_555`	`23`	`9`	`10856`	`169.0`	`-0.9`	`0.346`	`1`	`0`	`0`	`0.325`
7	`8`		[PM6]A:302	`10`	`1`	`285`	`f`	A	x,y,z	`1_555`	`22`	`8`	`10890`	`169.0`	`-1.0`	`0.348`	`1`	`0`	`0`	`0.073`
8	`9`		B	`18`	`6`	`10856`	`x`	B	-x,y-1/2,-z+2	`2_547`	`12`	`3`	`10856`	`113.4`	`-0.6`	`0.459`	`1`	`0`	`0`	`0.000`
9	`10`		A	`11`	`3`	`10890`	`◊`	B	x,y-1,z	`1_545`	`14`	`4`	`10856`	`100.3`	`-0.7`	`0.427`	`1`	`0`	`0`	`0.000`
10	`11`		B	`6`	`2`	`10856`	`◊`	A	x-1,y,z	`1_455`	`8`	`3`	`10890`	`51.6`	`0.2`	`0.647`	`1`	`0`	`0`	`0.000`
11	`12`		A	`4`	`2`	`10890`	`x`	A	-x,y-1/2,-z+1	`2_546`	`3`	`2`	`10890`	`16.1`	`-0.3`	`0.430`	`0`	`0`	`0`	`0.000`

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