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Interfaces in PDB 1htd crystal.
Space symmetry group: P 65. Resolution: 2.10 Å

STRUCTURAL INTERACTION OF NATURAL AND SYNTHETIC INHIBITORS WITH THE VENOM METALLOPROTEINASE, ATROLYSIN C (HT-D)

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`	`19`	`9482`	`◊`	B	-y+1,x-y+1,z-1/3	`3_664`	`70`	`21`	`9382`	`613.4`	`-1.5`	`0.406`	`6`	`0`	`0`	`0.000`
2	`2`		B	`47`	`13`	`9382`	`◊`	A	x,y,z	`1_555`	`45`	`14`	`9482`	`405.5`	`2.7`	`0.746`	`3`	`2`	`0`	`0.000`
3	`3`		A	`44`	`12`	`9482`	`x`	A	x-y,x,z-1/6	`2_554`	`41`	`8`	`9482`	`397.8`	`-0.8`	`0.333`	`4`	`2`	`0`	`0.000`
	`4`		B	`43`	`11`	`9382`	`x`	B	x-y,x,z-1/6	`2_554`	`44`	`14`	`9382`	`397.5`	`0.9`	`0.607`	`8`	`4`	`0`	`0.000`
	*Average:*													`397.6`	`0.0`	`0.470`	`6`	`3`	`0`	`0.000`
4	`5`		B	`31`	`11`	`9382`	`◊`	A	-y+1,x-y+1,z+2/3	`3_665`	`23`	`9`	`9482`	`240.9`	`-1.4`	`0.348`	`1`	`0`	`0`	`0.000`
5	`6`		A	`14`	`4`	`9482`	`◊`	B	x-y,x,z-1/6	`2_554`	`15`	`4`	`9382`	`169.4`	`1.6`	`0.766`	`1`	`0`	`0`	`0.000`
6	`7`		[ZN]A:401	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`7`	`4`	`9482`	`49.6`	`-35.2`	`0.000`	`0`	`0`	`0`	`0.076`
	`8`		[ZN]B:402	`1`	`1`	`98`	`f`	B	x,y,z	`1_555`	`7`	`4`	`9382`	`49.4`	`-35.2`	`0.000`	`0`	`0`	`0`	`0.076`
	*Average:*													`49.5`	`-35.2`	`0.000`	`0`	`0`	`0`	`0.076`
7	`9`		[CA]B:404	`1`	`1`	`85`	`f`	B	x,y,z	`1_555`	`8`	`5`	`9382`	`43.3`	`-12.4`	`0.000`	`0`	`0`	`0`	`0.026`
	`10`		[CA]A:403	`1`	`1`	`85`	`f`	A	x,y,z	`1_555`	`8`	`5`	`9482`	`40.4`	`-11.4`	`0.000`	`0`	`0`	`0`	`0.026`
	*Average:*													`41.9`	`-11.9`	`0.000`	`0`	`0`	`0`	`0.026`
8	`11`		B	`3`	`1`	`9382`	`x`	B	-y+1,x-y+1,z-1/3	`3_664`	`4`	`2`	`9382`	`34.3`	`1.4`	`0.860`	`1`	`0`	`0`	`0.000`
	`12`		A	`2`	`2`	`9482`	`x`	A	-y+1,x-y+1,z-1/3	`3_664`	`3`	`1`	`9482`	`27.0`	`1.0`	`0.877`	`0`	`0`	`0`	`0.000`
	*Average:*													`30.7`	`1.2`	`0.868`	`1`	`0`	`0`	`0.000`
9	`13`		[CA]A:403	`1`	`1`	`85`	`◊`	B	-y+1,x-y+1,z-1/3	`3_664`	`2`	`1`	`9382`	`8.7`	`-1.2`	`0.000`	`0`	`0`	`0`	`0.000`

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