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Initializing results command center
Preparing the first usable ligand.
WARHEAD COMMAND CENTER: fbbc441c ITGB6
MRZ
4x1p (CHAIN P)
100.0% EXPOSED
SASA atoms
9
/ 9
% buried
0.0%
SASA
236.0Ų
PL0
4x1r (CHAIN P)
100.0% EXPOSED
SASA atoms
10
/ 10
% buried
0.0%
SASA
211.7Ų
A00
9cz7 (CHAIN B)
83.3% EXPOSED
SASA atoms
25
/ 30
% buried
16.7%
SASA
416.4Ų
A01
9cza (CHAIN B)
78.8% EXPOSED
SASA atoms
26
/ 33
% buried
21.2%
SASA
442.5Ų
A03
9czf (CHAIN B)
74.4% EXPOSED
SASA atoms
29
/ 39
% buried
25.6%
SASA
455.4Ų
A02
9czd (CHAIN B)
73.0% EXPOSED
SASA atoms
27
/ 37
% buried
27.0%
SASA
440.6Ų
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)