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WARHEAD COMMAND CENTER: 3d572981 · HER2
70I
7pcd (CHAIN A)
46.7% EXPOSED
SASA atoms
21
/ 45
% buried
53.3%
SASA
182.3Ų
VOY
7jxh (CHAIN C)
42.9% EXPOSED
SASA atoms
18
/ 42
% buried
57.1%
SASA
174.9Ų
VOY
7jxh (CHAIN E)
40.5% EXPOSED
SASA atoms
17
/ 42
% buried
59.5%
SASA
170.3Ų
VOY
7jxh (CHAIN F)
40.5% EXPOSED
SASA atoms
17
/ 42
% buried
59.5%
SASA
164.5Ų
VOY
7jxh (CHAIN D)
38.1% EXPOSED
SASA atoms
16
/ 42
% buried
61.9%
SASA
191.9Ų
VOY
7jxh (CHAIN H)
38.1% EXPOSED
SASA atoms
16
/ 42
% buried
61.9%
SASA
190.6Ų
03P
3rcd (CHAIN C)
36.8% EXPOSED
SASA atoms
14
/ 38
% buried
63.2%
SASA
134.9Ų
VOY
7jxh (CHAIN B)
35.7% EXPOSED
SASA atoms
15
/ 42
% buried
64.3%
SASA
158.2Ų
VOY
7jxh (CHAIN G)
35.7% EXPOSED
SASA atoms
15
/ 42
% buried
64.3%
SASA
141.2Ų
VOY
7jxh (CHAIN A)
33.3% EXPOSED
SASA atoms
14
/ 42
% buried
66.7%
SASA
178.8Ų
03P
3rcd (CHAIN A)
31.6% EXPOSED
SASA atoms
12
/ 38
% buried
68.4%
SASA
118.8Ų
W9N
8u8x (CHAIN A)
25.0% EXPOSED
SASA atoms
10
/ 40
% buried
75.0%
SASA
61.6Ų
03Q
3pp0 (CHAIN B)
14.7% EXPOSED
SASA atoms
5
/ 34
% buried
85.3%
SASA
36.9Ų
03Q
3pp0 (CHAIN A)
11.8% EXPOSED
SASA atoms
4
/ 34
% buried
88.2%
SASA
18.1Ų
A00
8vb5 (CHAIN A)
0.0% EXPOSED
SASA atoms
0
/ 0
% buried
100.0%
SASA
0.0Ų
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)