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WARHEAD COMMAND CENTER: 484add87 · Protease
017
2hs1 (CHAIN A)
78.9% EXPOSED
SASA atoms
30
/ 38
% buried
21.1%
SASA
415.7Ų
DJR
2i4u (CHAIN A)
76.9% EXPOSED
SASA atoms
30
/ 39
% buried
23.1%
SASA
325.1Ų
017
2hs2 (CHAIN A)
76.3% EXPOSED
SASA atoms
29
/ 38
% buried
23.7%
SASA
417.7Ų
8FM
5v4y (CHAIN A)
75.6% EXPOSED
SASA atoms
31
/ 41
% buried
24.4%
SASA
348.2Ų
2NC
3i2l (CHAIN B)
74.1% EXPOSED
SASA atoms
40
/ 54
% buried
25.9%
SASA
603.4Ų
017
2hs2 (CHAIN B)
73.7% EXPOSED
SASA atoms
28
/ 38
% buried
26.3%
SASA
340.8Ų
017
2ieo (CHAIN A)
73.7% EXPOSED
SASA atoms
28
/ 38
% buried
26.3%
SASA
312.6Ų
K97
4tvh (CHAIN B)
73.7% EXPOSED
SASA atoms
14
/ 19
% buried
26.3%
SASA
206.3Ų
ROC
2nmy (CHAIN A)
73.5% EXPOSED
SASA atoms
36
/ 49
% buried
26.5%
SASA
439.4Ų
ROC
2nnp (CHAIN A)
73.5% EXPOSED
SASA atoms
36
/ 49
% buried
26.5%
SASA
449.5Ų
ROC
3oxc (CHAIN A)
73.5% EXPOSED
SASA atoms
36
/ 49
% buried
26.5%
SASA
451.5Ų
MK1
2avo (CHAIN B)
73.3% EXPOSED
SASA atoms
33
/ 45
% buried
26.7%
SASA
412.2Ų
RO1
2f3k (CHAIN A)
72.0% EXPOSED
SASA atoms
36
/ 50
% buried
28.0%
SASA
458.5Ų
GRL
2hb3 (CHAIN B)
71.8% EXPOSED
SASA atoms
28
/ 39
% buried
28.2%
SASA
355.4Ų
ROC
2nmz (CHAIN B)
71.4% EXPOSED
SASA atoms
35
/ 49
% buried
28.6%
SASA
415.2Ų
3TL
4tvh (CHAIN A)
71.2% EXPOSED
SASA atoms
47
/ 66
% buried
28.8%
SASA
695.4Ų
017
2idw (CHAIN B)
71.1% EXPOSED
SASA atoms
27
/ 38
% buried
28.9%
SASA
334.9Ų
6EH
5ivq (CHAIN A)
71.0% EXPOSED
SASA atoms
22
/ 31
% buried
29.0%
SASA
357.4Ų
MJD
6ogp (CHAIN A)
70.8% EXPOSED
SASA atoms
34
/ 48
% buried
29.2%
SASA
384.2Ų
ROC
2nnk (CHAIN A)
69.4% EXPOSED
SASA atoms
34
/ 49
% buried
30.6%
SASA
440.7Ų
TPV
2o4l (CHAIN A)
69.0% EXPOSED
SASA atoms
29
/ 42
% buried
31.0%
SASA
352.3Ų
6EG
5ivr (CHAIN B)
69.0% EXPOSED
SASA atoms
29
/ 42
% buried
31.0%
SASA
426.3Ų
6EF
5ivs (CHAIN B)
68.8% EXPOSED
SASA atoms
33
/ 48
% buried
31.2%
SASA
374.6Ų
017
2hs1 (CHAIN B)
68.4% EXPOSED
SASA atoms
26
/ 38
% buried
31.6%
SASA
333.7Ų
Q50
1izh (CHAIN B)
64.0% EXPOSED
SASA atoms
32
/ 50
% buried
36.0%
SASA
396.4Ų
017
6dh0 (CHAIN A)
64.0% EXPOSED
SASA atoms
48
/ 75
% buried
36.0%
SASA
340.6Ų
K97
4tvg (CHAIN A)
63.2% EXPOSED
SASA atoms
12
/ 19
% buried
36.8%
SASA
204.8Ų
G79
4kb9 (CHAIN A)
62.8% EXPOSED
SASA atoms
27
/ 43
% buried
37.2%
SASA
389.6Ų
017
6opu (CHAIN B)
61.3% EXPOSED
SASA atoms
46
/ 75
% buried
38.7%
SASA
331.9Ų
017
6ops (CHAIN A)
60.0% EXPOSED
SASA atoms
45
/ 75
% buried
40.0%
SASA
341.7Ų
017
6dh6 (CHAIN A)
57.3% EXPOSED
SASA atoms
43
/ 75
% buried
42.7%
SASA
334.5Ų
A60
6dgz (CHAIN A)
56.8% EXPOSED
SASA atoms
46
/ 81
% buried
43.2%
SASA
339.2Ų
A60
6dh8 (CHAIN A)
56.8% EXPOSED
SASA atoms
46
/ 81
% buried
43.2%
SASA
384.4Ų
K13
6dgy (CHAIN A)
56.4% EXPOSED
SASA atoms
44
/ 78
% buried
43.6%
SASA
340.0Ų
017
6opt (CHAIN A)
56.0% EXPOSED
SASA atoms
42
/ 75
% buried
44.0%
SASA
335.9Ų
K13
6dh1 (CHAIN A)
55.1% EXPOSED
SASA atoms
43
/ 78
% buried
44.9%
SASA
335.4Ų
K13
6dh7 (CHAIN A)
55.1% EXPOSED
SASA atoms
43
/ 78
% buried
44.9%
SASA
345.9Ų
A60
6dh2 (CHAIN A)
54.3% EXPOSED
SASA atoms
44
/ 81
% buried
45.7%
SASA
347.6Ų
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)