Loading Warhead Results
Checking molecular artifacts
Initializing results command center
Preparing the first usable ligand.
WARHEAD COMMAND CENTER: fa5810af · RNA helicase
CO2
6y7v (CHAIN B)
100.0% EXPOSED
SASA atoms
3
/ 3
% buried
0.0%
SASA
78.0Ų
SY8
7b5l (CHAIN U)
100.0% EXPOSED
SASA atoms
7
/ 7
% buried
0.0%
SASA
190.7Ų
SY8
7b5n (CHAIN U)
100.0% EXPOSED
SASA atoms
7
/ 7
% buried
0.0%
SASA
191.1Ų
CO2
7oye (CHAIN B)
100.0% EXPOSED
SASA atoms
3
/ 3
% buried
0.0%
SASA
71.3Ų
NGA
6s22 (CHAIN F)
92.9% EXPOSED
SASA atoms
13
/ 14
% buried
7.1%
SASA
238.7Ų
NGA
6s24 (CHAIN F)
85.7% EXPOSED
SASA atoms
12
/ 14
% buried
14.3%
SASA
253.9Ų
AF3
4a36 (CHAIN A)
50.0% EXPOSED
SASA atoms
2
/ 4
% buried
50.0%
SASA
7.5Ų
AF3
4a36 (CHAIN B)
50.0% EXPOSED
SASA atoms
2
/ 4
% buried
50.0%
SASA
7.0Ų
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)