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WARHEAD COMMAND CENTER: 5578ee3d · Huntingtin
SCN
5jjy (CHAIN B)
100.0% EXPOSED
SASA atoms
3
/ 3
% buried
0.0%
SASA
81.8Ų
SCN
6vdb (CHAIN H)
100.0% EXPOSED
SASA atoms
3
/ 3
% buried
0.0%
SASA
87.5Ų
ME7
7ojx (CHAIN B)
100.0% EXPOSED
SASA atoms
16
/ 16
% buried
0.0%
SASA
313.9Ų
CMC
5nnp (CHAIN L)
96.1% EXPOSED
SASA atoms
49
/ 51
% buried
3.9%
SASA
939.2Ų
CMC
5nnp (CHAIN I)
92.2% EXPOSED
SASA atoms
47
/ 51
% buried
7.8%
SASA
934.7Ų
SCN
6j9j (CHAIN A)
83.3% EXPOSED
SASA atoms
10
/ 12
% buried
16.7%
SASA
174.2Ų
2PE
3h8h (CHAIN A)
76.9% EXPOSED
SASA atoms
10
/ 13
% buried
23.1%
SASA
193.0Ų
N64
5qqg (CHAIN A)
68.0% EXPOSED
SASA atoms
17
/ 25
% buried
32.0%
SASA
260.9Ų
A01
9i1l (CHAIN A)
64.3% EXPOSED
SASA atoms
9
/ 14
% buried
35.7%
SASA
76.3Ų
N6J
5qqj (CHAIN A)
64.0% EXPOSED
SASA atoms
16
/ 25
% buried
36.0%
SASA
220.5Ų
IHP
6pw9 (CHAIN C)
63.9% EXPOSED
SASA atoms
23
/ 36
% buried
36.1%
SASA
468.6Ų
N5D
5qqn (CHAIN A)
63.6% EXPOSED
SASA atoms
14
/ 22
% buried
36.4%
SASA
222.9Ų
N67
5qqh (CHAIN A)
61.9% EXPOSED
SASA atoms
13
/ 21
% buried
38.1%
SASA
174.2Ų
A03
9ifk (CHAIN A)
60.0% EXPOSED
SASA atoms
9
/ 15
% buried
40.0%
SASA
97.3Ų
N74
5qqm (CHAIN A)
59.1% EXPOSED
SASA atoms
13
/ 22
% buried
40.9%
SASA
172.6Ų
N71
5qql (CHAIN A)
57.1% EXPOSED
SASA atoms
12
/ 21
% buried
42.9%
SASA
178.5Ų
ACO
6pw9 (CHAIN C)
56.9% EXPOSED
SASA atoms
29
/ 51
% buried
43.1%
SASA
289.0Ų
N6V
5qqk (CHAIN A)
53.8% EXPOSED
SASA atoms
14
/ 26
% buried
46.2%
SASA
229.9Ų
N6D
5qqi (CHAIN A)
52.6% EXPOSED
SASA atoms
10
/ 19
% buried
47.4%
SASA
154.0Ų
N5S
5qqe (CHAIN A)
50.0% EXPOSED
SASA atoms
12
/ 24
% buried
50.0%
SASA
187.4Ų
SAM
7ea8 (CHAIN L)
48.1% EXPOSED
SASA atoms
13
/ 27
% buried
51.9%
SASA
88.0Ų
A00
9hu8 (CHAIN A)
46.7% EXPOSED
SASA atoms
7
/ 15
% buried
53.3%
SASA
87.7Ų
A02
9ig1 (CHAIN A)
46.7% EXPOSED
SASA atoms
7
/ 15
% buried
53.3%
SASA
80.0Ų
HIS
3eu9 (CHAIN A)
42.7% EXPOSED
SASA atoms
47
/ 110
% buried
57.3%
SASA
662.9Ų
JGA
5qqd (CHAIN A)
33.3% EXPOSED
SASA atoms
4
/ 12
% buried
66.7%
SASA
72.6Ų
N5V
5qqf (CHAIN A)
27.3% EXPOSED
SASA atoms
3
/ 11
% buried
72.7%
SASA
58.5Ų
SAH
6j9j (CHAIN A)
26.9% EXPOSED
SASA atoms
7
/ 26
% buried
73.1%
SASA
22.3Ų
U9E
7nd1 (CHAIN A)
3.2% EXPOSED
SASA atoms
27
/ 840
% buried
96.8%
SASA
189.6Ų
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)