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Session Map (id=145-H2-L2C)

Interfaces in PDB 4nvj crystal.
Space symmetry group: P 21 21 21. Resolution: 1.81 Å

PREDICTING PROTEIN CONFORMATIONAL RESPONSE IN PROSPECTIVE LIGAND DISCOVERY.

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`		[HEM]B:301	`43`	`1`	`821`	`f`	B	x,y,z	`1_555`	`91`	`33`	`13122`	`593.9`	`-20.6`	`0.347`	`5`	`0`	`0`	`0.091`
`2`		B	`46`	`15`	`13122`	`x`	B	x-1/2,-y+1/2,-z	`3_455`	`51`	`18`	`13122`	`405.1`	`4.0`	`0.900`	`8`	`3`	`0`	`0.000`
`3`		B	`35`	`10`	`13122`	`x`	B	-x+1/2,-y,z-1/2	`2_554`	`32`	`8`	`13122`	`289.8`	`1.0`	`0.706`	`5`	`3`	`0`	`0.000`
`4`		[2NX]B:302	`15`	`1`	`407`	`f`	B	x,y,z	`1_555`	`43`	`17`	`13122`	`207.0`	`-3.7`	`0.493`	`5`	`0`	`0`	`0.024`
`5`		[MES]B:303	`12`	`1`	`340`	`f`	B	x,y,z	`1_555`	`37`	`16`	`13122`	`155.5`	`3.6`	`0.436`	`0`	`0`	`0`	`0.000`
`6`		[MES]B:303	`12`	`1`	`340`	`f`	[2NX]B:302	x,y,z	`1_555`	`15`	`1`	`407`	`104.6`	`1.3`	`0.164`	`0`	`0`	`0`	`0.000`
`7`		B	`6`	`2`	`13122`	`x`	B	-x,y-1/2,-z+1/2	`4_545`	`3`	`1`	`13122`	`44.5`	`0.9`	`0.794`	`1`	`1`	`0`	`0.000`
`8`		[2NX]B:302	`4`	`1`	`407`	`f`	[HEM]B:301	x,y,z	`1_555`	`12`	`1`	`821`	`40.7`	`-1.4`	`0.778`	`0`	`0`	`0`	`0.006`
`9`		[MES]B:303	`4`	`1`	`340`	`f`	[HEM]B:301	x,y,z	`1_555`	`13`	`1`	`821`	`37.7`	`0.2`	`0.492`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe