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WARHEAD COMMAND CENTER: cc5025a3 · SHMT
DSN
8ssy (CHAIN A)
85.7% EXPOSED
SASA atoms
6
/ 7
% buried
14.3%
SASA
101.0Ų
THG
10zb (CHAIN B)
78.1% EXPOSED
SASA atoms
25
/ 32
% buried
21.9%
SASA
306.9Ų
THG
9o50 (CHAIN B)
68.8% EXPOSED
SASA atoms
22
/ 32
% buried
31.2%
SASA
236.7Ų
FFO
9bow (CHAIN B)
61.8% EXPOSED
SASA atoms
21
/ 34
% buried
38.2%
SASA
248.5Ų
FFO
9boh (CHAIN B)
58.8% EXPOSED
SASA atoms
20
/ 34
% buried
41.2%
SASA
244.6Ų
KOU
10zb (CHAIN B)
50.0% EXPOSED
SASA atoms
11
/ 22
% buried
50.0%
SASA
105.8Ų
KOU
9bow (CHAIN B)
50.0% EXPOSED
SASA atoms
11
/ 22
% buried
50.0%
SASA
102.7Ų
SER
9bow (CHAIN A)
46.4% EXPOSED
SASA atoms
45
/ 97
% buried
53.6%
SASA
450.5Ų
2D LIGAND MAP
GREEN (15–24 Ų)
YELLOW (24–34 Ų)
RED (≥34 Ų)
Atoms w/ SASA below 15 Ų are not highlighted
Highlighted atoms show linkable attachment sites
CHEMICAL PROPERTIES
QED: —
poor
moderate
good
Drug-likeness filters
Drug-likeness heuristics (informative, not absolute)