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Session Map (id=971-G1-C75)

Interfaces in PDB 3qtl crystal.
Space symmetry group: P 1 21 1. Resolution: 2.60 Å

STRUCTURAL BASIS FOR DUAL-INHIBITION MECHANISM OF A NON-CLASSICAL KAZAL-TYPE SERINE PROTEASE INHIBITOR FROM HORSESHOE CRAB IN COMPLEX WITH SUBTILISIN

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`		D	`67`	`14`	`5143`	`◊`	C	x,y,z	`1_555`	`81`	`27`	`9859`	`678.8`	`-8.5`	`0.330`	`16`	`0`	`0`	`1.000`
`2`		D	`60`	`13`	`5143`	`◊`	A	x,y,z	`1_555`	`85`	`31`	`9655`	`657.8`	`-6.5`	`0.363`	`10`	`0`	`0`	`0.365`
`3`		B	`57`	`17`	`9707`	`◊`	A	x-1,y,z	`1_455`	`51`	`15`	`9655`	`500.5`	`-2.3`	`0.467`	`4`	`0`	`0`	`0.000`
`4`		A	`47`	`14`	`9655`	`◊`	B	-x,y-1/2,-z+1	`2_546`	`52`	`14`	`9707`	`487.4`	`0.2`	`0.714`	`7`	`0`	`0`	`0.000`
`5`		B	`51`	`16`	`9707`	`x`	B	-x,y-1/2,-z+1	`2_546`	`59`	`19`	`9707`	`467.3`	`-3.1`	`0.443`	`2`	`0`	`0`	`0.000`
`6`		C	`53`	`18`	`9859`	`x`	C	-x,y-1/2,-z	`2_545`	`51`	`14`	`9859`	`466.8`	`-2.3`	`0.323`	`3`	`0`	`0`	`0.000`
`7`		C	`49`	`16`	`9859`	`◊`	B	x,y,z	`1_555`	`42`	`12`	`9707`	`428.7`	`-2.6`	`0.452`	`6`	`0`	`0`	`0.000`
`8`		A	`40`	`15`	`9655`	`x`	A	-x+1,y-1/2,-z+1	`2_646`	`35`	`11`	`9655`	`325.0`	`0.0`	`0.596`	`3`	`5`	`0`	`0.000`
`9`		C	`27`	`11`	`9859`	`◊`	A	x,y,z	`1_555`	`35`	`13`	`9655`	`293.8`	`-1.7`	`0.423`	`4`	`0`	`0`	`0.115`
`10`		B	`18`	`7`	`9707`	`◊`	A	x,y,z	`1_555`	`11`	`6`	`9655`	`104.0`	`0.9`	`0.790`	`1`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe