Loading Warhead Results
Checking molecular artifacts
Initializing results command center
Preparing the first usable ligand.
WARHEAD COMMAND CENTER: 8c9ee94e · HER2
CYN
1d5l (CHAIN A)
100.0% EXPOSED
SASA atoms
2
/ 2
% buried
0.0%
SASA
73.8Ų
CYN
1d5l (CHAIN B)
100.0% EXPOSED
SASA atoms
2
/ 2
% buried
0.0%
SASA
70.2Ų
CYN
1d7w (CHAIN A)
100.0% EXPOSED
SASA atoms
2
/ 2
% buried
0.0%
SASA
73.1Ų
CYN
1d7w (CHAIN B)
100.0% EXPOSED
SASA atoms
2
/ 2
% buried
0.0%
SASA
73.5Ų
FRZ
5v61 (CHAIN I)
96.0% EXPOSED
SASA atoms
24
/ 25
% buried
4.0%
SASA
493.0Ų
0WM
4g5j (CHAIN A)
91.2% EXPOSED
SASA atoms
62
/ 68
% buried
8.8%
SASA
962.7Ų
TVQ
7bia (CHAIN A)
88.9% EXPOSED
SASA atoms
8
/ 9
% buried
11.1%
SASA
155.5Ų
H4B
9mwn (CHAIN C)
88.2% EXPOSED
SASA atoms
15
/ 17
% buried
11.8%
SASA
175.7Ų
H4B
9mww (CHAIN C)
88.2% EXPOSED
SASA atoms
15
/ 17
% buried
11.8%
SASA
171.3Ų
H44
9mwn (CHAIN D)
87.5% EXPOSED
SASA atoms
28
/ 32
% buried
12.5%
SASA
329.6Ų
DDQ
2prl (CHAIN A)
85.7% EXPOSED
SASA atoms
12
/ 14
% buried
14.3%
SASA
128.9Ų
H4B
4d1o (CHAIN B)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
181.2Ų
H4B
9cw7 (CHAIN A)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
177.7Ų
H4B
9cw7 (CHAIN B)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
177.9Ų
H4B
9cw7 (CHAIN D)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
173.2Ų
H4B
9cwk (CHAIN A)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
179.0Ų
H4B
9cwk (CHAIN B)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
180.4Ų
H4B
9cwk (CHAIN D)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
177.6Ų
H4B
9mwn (CHAIN B)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
172.6Ų
H4B
9mwr (CHAIN B)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
171.2Ų
H4B
9mwt (CHAIN C)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
170.4Ų
H4B
9mwu (CHAIN B)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
180.0Ų
H4B
9mwv (CHAIN B)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
178.2Ų
H4B
9mwv (CHAIN C)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
181.3Ų
H4B
9mwv (CHAIN D)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
178.9Ų
H4B
9mww (CHAIN B)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
170.9Ų
H4B
9mww (CHAIN D)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
173.2Ų
H4B
9mz3 (CHAIN A)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
177.7Ų
H4B
9mz3 (CHAIN B)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
162.5Ų
H4B
9mz3 (CHAIN C)
82.4% EXPOSED
SASA atoms
14
/ 17
% buried
17.6%
SASA
170.7Ų
ORO
2prl (CHAIN A)
81.8% EXPOSED
SASA atoms
9
/ 11
% buried
18.2%
SASA
27.9Ų
H44
9mwn (CHAIN B)
81.2% EXPOSED
SASA atoms
26
/ 32
% buried
18.8%
SASA
342.3Ų
H44
9mwn (CHAIN A)
78.1% EXPOSED
SASA atoms
25
/ 32
% buried
21.9%
SASA
350.2Ų
H4B
4d1o (CHAIN A)
76.5% EXPOSED
SASA atoms
13
/ 17
% buried
23.5%
SASA
170.6Ų
H4B
9cw7 (CHAIN C)
76.5% EXPOSED
SASA atoms
13
/ 17
% buried
23.5%
SASA
175.4Ų
H4B
9cwk (CHAIN C)
76.5% EXPOSED
SASA atoms
13
/ 17
% buried
23.5%
SASA
176.2Ų
H4B
9mwn (CHAIN A)
76.5% EXPOSED
SASA atoms
13
/ 17
% buried
23.5%
SASA
167.5Ų
H4B
9mwn (CHAIN D)
76.5% EXPOSED
SASA atoms
13
/ 17
% buried
23.5%
SASA
170.8Ų
H4B
9mwp (CHAIN A)
76.5% EXPOSED
SASA atoms
13
/ 17
% buried
23.5%
SASA
171.9Ų
H4B
9mwp (CHAIN B)
76.5% EXPOSED
SASA atoms
13
/ 17
% buried
23.5%
SASA
178.6Ų
H4B
9mwr (CHAIN A)
76.5% EXPOSED
SASA atoms
13
/ 17
% buried
23.5%
SASA
173.1Ų
H4B
9mwr (CHAIN C)
76.5% EXPOSED
SASA atoms
13
/ 17
% buried
23.5%
SASA
167.9Ų
H4B
9mwt (CHAIN A)
76.5% EXPOSED
SASA atoms
13
/ 17
% buried
23.5%
SASA
173.9Ų
H4B
9mwt (CHAIN B)
76.5% EXPOSED
SASA atoms
13
/ 17
% buried
23.5%
SASA
167.4Ų
H4B
9mwt (CHAIN D)
76.5% EXPOSED
SASA atoms
13
/ 17
% buried
23.5%
SASA
180.7Ų
H4B
9mwu (CHAIN A)
76.5% EXPOSED
SASA atoms
13
/ 17
% buried
23.5%
SASA
167.3Ų
H4B
9mwv (CHAIN A)
76.5% EXPOSED
SASA atoms
13
/ 17
% buried
23.5%
SASA
171.7Ų
H4B
9mww (CHAIN A)
76.5% EXPOSED
SASA atoms
13
/ 17
% buried
23.5%
SASA
174.2Ų
H4B
9mz3 (CHAIN D)
76.5% EXPOSED
SASA atoms
13
/ 17
% buried
23.5%
SASA
166.7Ų
AF3
1g4u (CHAIN R)
75.0% EXPOSED
SASA atoms
3
/ 4
% buried
25.0%
SASA
28.0Ų
H44
9mwn (CHAIN C)
75.0% EXPOSED
SASA atoms
24
/ 32
% buried
25.0%
SASA
365.6Ų
6T5
5kh9 (CHAIN A)
72.2% EXPOSED
SASA atoms
13
/ 18
% buried
27.8%
SASA
263.9Ų
H4B
9mwr (CHAIN D)
70.6% EXPOSED
SASA atoms
12
/ 17
% buried
29.4%
SASA
168.9Ų
6T4
5b8d (CHAIN A)
70.0% EXPOSED
SASA atoms
7
/ 10
% buried
30.0%
SASA
89.3Ų
GSH
7bia (CHAIN A)
70.0% EXPOSED
SASA atoms
14
/ 20
% buried
30.0%
SASA
147.9Ų
GSH
7bia (CHAIN B)
70.0% EXPOSED
SASA atoms
14
/ 20
% buried
30.0%
SASA
141.6Ų
Q0A
6u65 (CHAIN C)
66.7% EXPOSED
SASA atoms
24
/ 36
% buried
33.3%
SASA
218.6Ų
MRD
5li9 (CHAIN A)
62.5% EXPOSED
SASA atoms
5
/ 8
% buried
37.5%
SASA
90.4Ų
SER
6ehj (CHAIN A)
61.7% EXPOSED
SASA atoms
66
/ 107
% buried
38.3%
SASA
943.9Ų
ARG
4d1o (CHAIN A)
61.5% EXPOSED
SASA atoms
190
/ 309
% buried
38.5%
SASA
2532.3Ų
ARG
4d1o (CHAIN B)
60.2% EXPOSED
SASA atoms
186
/ 309
% buried
39.8%
SASA
2604.4Ų
UCK
4b95 (CHAIN F)
57.7% EXPOSED
SASA atoms
15
/ 26
% buried
42.3%
SASA
190.2Ų
UCK
4b95 (CHAIN L)
57.7% EXPOSED
SASA atoms
15
/ 26
% buried
42.3%
SASA
188.8Ų
SER
6ehj (CHAIN B)
56.9% EXPOSED
SASA atoms
58
/ 102
% buried
43.1%
SASA
857.9Ų
PRO
6ehj (CHAIN A)
54.3% EXPOSED
SASA atoms
95
/ 175
% buried
45.7%
SASA
1024.2Ų
UCK
4b95 (CHAIN C)
53.8% EXPOSED
SASA atoms
14
/ 26
% buried
46.2%
SASA
184.0Ų
UCK
4b95 (CHAIN I)
53.8% EXPOSED
SASA atoms
14
/ 26
% buried
46.2%
SASA
203.8Ų
NLV
6p0k (CHAIN B)
53.6% EXPOSED
SASA atoms
15
/ 28
% buried
46.4%
SASA
109.0Ų
PRO
6ehj (CHAIN B)
53.3% EXPOSED
SASA atoms
97
/ 182
% buried
46.7%
SASA
1186.3Ų
TG0
4b9k (CHAIN C)
53.1% EXPOSED
SASA atoms
17
/ 32
% buried
46.9%
SASA
228.5Ų
TG0
4b9k (CHAIN I)
53.1% EXPOSED
SASA atoms
17
/ 32
% buried
46.9%
SASA
237.6Ų
Q0A
6u65 (CHAIN D)
52.8% EXPOSED
SASA atoms
19
/ 36
% buried
47.2%
SASA
189.6Ų
9ZV
5wbn (CHAIN A)
51.9% EXPOSED
SASA atoms
14
/ 27
% buried
48.1%
SASA
187.2Ų
TG0
4b9k (CHAIN F)
50.0% EXPOSED
SASA atoms
16
/ 32
% buried
50.0%
SASA
239.3Ų
TG0
4b9k (CHAIN L)
50.0% EXPOSED
SASA atoms
16
/ 32
% buried
50.0%
SASA
228.9Ų
0WN
4g5j (CHAIN A)
50.0% EXPOSED
SASA atoms
17
/ 34
% buried
50.0%
SASA
197.3Ų
COA
6ehj (CHAIN B)
50.0% EXPOSED
SASA atoms
24
/ 48
% buried
50.0%
SASA
190.6Ų
NLJ
6p0l (CHAIN B)
50.0% EXPOSED
SASA atoms
16
/ 32
% buried
50.0%
SASA
137.2Ų
NLS
6p0n (CHAIN B)
50.0% EXPOSED
SASA atoms
14
/ 28
% buried
50.0%
SASA
112.1Ų
Q0A
6u65 (CHAIN A)
47.2% EXPOSED
SASA atoms
17
/ 36
% buried
52.8%
SASA
196.0Ų
Q0A
6u65 (CHAIN B)
47.2% EXPOSED
SASA atoms
17
/ 36
% buried
52.8%
SASA
184.4Ų
R27
6vcu (CHAIN B)
46.3% EXPOSED
SASA atoms
62
/ 134
% buried
53.7%
SASA
500.9Ų
COA
6ehj (CHAIN A)
45.8% EXPOSED
SASA atoms
22
/ 48
% buried
54.2%
SASA
197.8Ų
R27
6vcu (CHAIN A)
44.0% EXPOSED
SASA atoms
59
/ 134
% buried
56.0%
SASA
500.5Ų
NL7
6p0i (CHAIN B)
43.8% EXPOSED
SASA atoms
14
/ 32
% buried
56.2%
SASA
111.5Ų
R27
6vcu (CHAIN C)
43.3% EXPOSED
SASA atoms
58
/ 134
% buried
56.7%
SASA
492.2Ų
R27
6vcu (CHAIN D)
43.3% EXPOSED
SASA atoms
58
/ 134
% buried
56.7%
SASA
500.2Ų
VJH
7nzn (CHAIN A)
43.1% EXPOSED
SASA atoms
31
/ 72
% buried
56.9%
SASA
293.8Ų
NLM
6p0m (CHAIN B)
42.9% EXPOSED
SASA atoms
12
/ 28
% buried
57.1%
SASA
114.3Ų
MYA
6ehj (CHAIN A)
34.9% EXPOSED
SASA atoms
22
/ 63
% buried
65.1%
SASA
177.9Ų
R2C
2prl (CHAIN A)
32.0% EXPOSED
SASA atoms
8
/ 25
% buried
68.0%
SASA
28.8Ų
FMN
2prl (CHAIN A)
25.8% EXPOSED
SASA atoms
8
/ 31
% buried
74.2%
SASA
17.8Ų
9QY
5vyy (CHAIN A)
23.9% EXPOSED
SASA atoms
11
/ 46
% buried
76.1%
SASA
85.8Ų
W49
8ouu (CHAIN B)
7.1% EXPOSED
SASA atoms
2
/ 28
% buried
92.9%
SASA
3.5Ų
W49
8ouu (CHAIN A)
3.6% EXPOSED
SASA atoms
1
/ 28
% buried
96.4%
SASA
1.1Ų
4d1o (CHAIN A)
0.0% EXPOSED
SASA atoms
190
/ 309
% buried
100.0%
SASA
2532.3Ų
4d1o (CHAIN B)
0.0% EXPOSED
SASA atoms
186
/ 309
% buried
100.0%
SASA
2604.4Ų
GD3
9cw7 (CHAIN A)
0.0% EXPOSED
SASA atoms
14
/ 17
% buried
100.0%
SASA
177.7Ų
GD3
9cw7 (CHAIN B)
0.0% EXPOSED
SASA atoms
14
/ 17
% buried
100.0%
SASA
177.9Ų
GD3
9cw7 (CHAIN D)
0.0% EXPOSED
SASA atoms
14
/ 17
% buried
100.0%
SASA
173.2Ų
GD3
9cwk (CHAIN A)
0.0% EXPOSED
SASA atoms
14
/ 17
% buried
100.0%
SASA
179.0Ų
GD3
9cwk (CHAIN B)
0.0% EXPOSED
SASA atoms
14
/ 17
% buried
100.0%
SASA
180.4Ų
GD3
9cwk (CHAIN C)
0.0% EXPOSED
SASA atoms
13
/ 17
% buried
100.0%
SASA
176.2Ų
GD3
9cwk (CHAIN D)
0.0% EXPOSED
SASA atoms
14
/ 17
% buried
100.0%
SASA
177.6Ų
9mwn (CHAIN A)
0.0% EXPOSED
SASA atoms
25
/ 32
% buried
100.0%
SASA
350.2Ų
9mwn (CHAIN B)
0.0% EXPOSED
SASA atoms
26
/ 32
% buried
100.0%
SASA
342.3Ų
9mwn (CHAIN D)
0.0% EXPOSED
SASA atoms
28
/ 32
% buried
100.0%
SASA
329.6Ų
9mwp (CHAIN A)
0.0% EXPOSED
SASA atoms
13
/ 17
% buried
100.0%
SASA
171.9Ų
9mwp (CHAIN B)
0.0% EXPOSED
SASA atoms
13
/ 17
% buried
100.0%
SASA
178.6Ų
9mwr (CHAIN A)
0.0% EXPOSED
SASA atoms
13
/ 17
% buried
100.0%
SASA
173.1Ų
9mwr (CHAIN B)
0.0% EXPOSED
SASA atoms
14
/ 17
% buried
100.0%
SASA
171.2Ų
9mwr (CHAIN C)
0.0% EXPOSED
SASA atoms
13
/ 17
% buried
100.0%
SASA
167.9Ų
9mwr (CHAIN D)
0.0% EXPOSED
SASA atoms
12
/ 17
% buried
100.0%
SASA
168.9Ų
9mwt (CHAIN A)
0.0% EXPOSED
SASA atoms
13
/ 17
% buried
100.0%
SASA
173.9Ų
9mwt (CHAIN B)
0.0% EXPOSED
SASA atoms
13
/ 17
% buried
100.0%
SASA
167.4Ų
9mwt (CHAIN C)
0.0% EXPOSED
SASA atoms
14
/ 17
% buried
100.0%
SASA
170.4Ų
9mwt (CHAIN D)
0.0% EXPOSED
SASA atoms
13
/ 17
% buried
100.0%
SASA
180.7Ų
9mwu (CHAIN A)
0.0% EXPOSED
SASA atoms
13
/ 17
% buried
100.0%
SASA
167.3Ų
9mwu (CHAIN B)
0.0% EXPOSED
SASA atoms
14
/ 17
% buried
100.0%
SASA
180.0Ų
9mwv (CHAIN A)
0.0% EXPOSED
SASA atoms
13
/ 17
% buried
100.0%
SASA
171.7Ų
9mwv (CHAIN B)
0.0% EXPOSED
SASA atoms
14
/ 17
% buried
100.0%
SASA
178.2Ų
9mwv (CHAIN D)
0.0% EXPOSED
SASA atoms
14
/ 17
% buried
100.0%
SASA
178.9Ų
9mww (CHAIN B)
0.0% EXPOSED
SASA atoms
14
/ 17
% buried
100.0%
SASA
170.9Ų
9mww (CHAIN C)
0.0% EXPOSED
SASA atoms
15
/ 17
% buried
100.0%
SASA
171.3Ų
9mww (CHAIN D)
0.0% EXPOSED
SASA atoms
14
/ 17
% buried
100.0%
SASA
173.2Ų
9mz3 (CHAIN A)
0.0% EXPOSED
SASA atoms
14
/ 17
% buried
100.0%
SASA
177.7Ų
9mz3 (CHAIN B)
0.0% EXPOSED
SASA atoms
14
/ 17
% buried
100.0%
SASA
162.5Ų
9mz3 (CHAIN C)
0.0% EXPOSED
SASA atoms
14
/ 17
% buried
100.0%
SASA
170.7Ų
9mz3 (CHAIN D)
0.0% EXPOSED
SASA atoms
13
/ 17
% buried
100.0%
SASA
166.7Ų
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)