Loading Warhead Results
Checking molecular artifacts
Initializing results command center
Preparing the first usable ligand.
WARHEAD COMMAND CENTER: 6ff65b04 · ache
RM0
6ewk (CHAIN A)
90.5% EXPOSED
SASA atoms
19
/ 21
% buried
9.5%
SASA
162.9Ų
RM0
6euc (CHAIN A)
90.5% EXPOSED
SASA atoms
19
/ 21
% buried
9.5%
SASA
162.9Ų
FWN
7b8e (CHAIN A)
83.3% EXPOSED
SASA atoms
10
/ 12
% buried
16.7%
SASA
120.6Ų
DME
5e2i (CHAIN A)
83.3% EXPOSED
SASA atoms
15
/ 18
% buried
16.7%
SASA
184.8Ų
PE7
1jjb (CHAIN A)
81.8% EXPOSED
SASA atoms
18
/ 22
% buried
18.2%
SASA
183.3Ų
TFL
2j3q (CHAIN A)
80.0% EXPOSED
SASA atoms
16
/ 20
% buried
20.0%
SASA
123.1Ų
DME
1acl (CHAIN A)
77.8% EXPOSED
SASA atoms
14
/ 18
% buried
22.2%
SASA
94.2Ų
E2W
6g4n (CHAIN A)
73.3% EXPOSED
SASA atoms
22
/ 30
% buried
26.7%
SASA
254.6Ų
E2W
6g4n (CHAIN B)
73.3% EXPOSED
SASA atoms
22
/ 30
% buried
26.7%
SASA
257.7Ų
CP0
1u65 (CHAIN A)
72.1% EXPOSED
SASA atoms
31
/ 43
% buried
27.9%
SASA
208.6Ų
ETM
2c58 (CHAIN A)
71.4% EXPOSED
SASA atoms
5
/ 7
% buried
28.6%
SASA
29.1Ų
E20
1eve (CHAIN A)
71.4% EXPOSED
SASA atoms
20
/ 28
% buried
28.6%
SASA
103.3Ų
CHH
2vjc (CHAIN A)
70.0% EXPOSED
SASA atoms
7
/ 10
% buried
30.0%
SASA
118.7Ų
CHH
2vjc (CHAIN B)
70.0% EXPOSED
SASA atoms
7
/ 10
% buried
30.0%
SASA
109.2Ų
MBT
5e4t (CHAIN A)
70.0% EXPOSED
SASA atoms
14
/ 20
% buried
30.0%
SASA
167.1Ų
AT3
2c58 (CHAIN A)
70.0% EXPOSED
SASA atoms
7
/ 10
% buried
30.0%
SASA
104.2Ų
MBT
5dlp (CHAIN A)
70.0% EXPOSED
SASA atoms
14
/ 20
% buried
30.0%
SASA
131.0Ų
CHH
2c5f (CHAIN A)
70.0% EXPOSED
SASA atoms
7
/ 10
% buried
30.0%
SASA
99.7Ų
1PG
6fld (CHAIN A)
68.8% EXPOSED
SASA atoms
11
/ 16
% buried
31.2%
SASA
65.2Ų
HBP
5bwc (CHAIN A)
68.0% EXPOSED
SASA atoms
17
/ 25
% buried
32.0%
SASA
100.9Ų
AE4
5ehx (CHAIN A)
66.7% EXPOSED
SASA atoms
12
/ 18
% buried
33.3%
SASA
120.5Ų
FJN
6h13 (CHAIN B)
66.0% EXPOSED
SASA atoms
33
/ 50
% buried
34.0%
SASA
230.4Ų
DQ5
6fld (CHAIN A)
65.5% EXPOSED
SASA atoms
19
/ 29
% buried
34.5%
SASA
159.5Ų
AFT
2xi4 (CHAIN B)
65.2% EXPOSED
SASA atoms
15
/ 23
% buried
34.8%
SASA
93.5Ų
ETM
2c5g (CHAIN A)
64.3% EXPOSED
SASA atoms
9
/ 14
% buried
35.7%
SASA
109.2Ų
OMI
5ih7 (CHAIN A)
63.6% EXPOSED
SASA atoms
7
/ 11
% buried
36.4%
SASA
38.4Ų
N9T
6tt0 (CHAIN A)
62.5% EXPOSED
SASA atoms
20
/ 32
% buried
37.5%
SASA
176.2Ų
9A5
5nuu (CHAIN A)
62.2% EXPOSED
SASA atoms
23
/ 37
% buried
37.8%
SASA
183.7Ų
E0Z
6g1w (CHAIN B)
62.2% EXPOSED
SASA atoms
23
/ 37
% buried
37.8%
SASA
172.6Ų
C6K
6ezg (CHAIN A)
62.1% EXPOSED
SASA atoms
18
/ 29
% buried
37.9%
SASA
111.7Ų
DZ0
5nau (CHAIN A)
61.5% EXPOSED
SASA atoms
16
/ 26
% buried
38.5%
SASA
105.5Ų
FJK
6h12 (CHAIN A)
61.2% EXPOSED
SASA atoms
30
/ 49
% buried
38.8%
SASA
232.1Ų
AFT
2xi4 (CHAIN A)
60.9% EXPOSED
SASA atoms
14
/ 23
% buried
39.1%
SASA
98.5Ų
FP1
2vq6 (CHAIN A)
60.0% EXPOSED
SASA atoms
6
/ 10
% buried
40.0%
SASA
22.4Ų
GD8
2wg2 (CHAIN A)
60.0% EXPOSED
SASA atoms
6
/ 10
% buried
40.0%
SASA
31.3Ų
CCD
2vjd (CHAIN B)
60.0% EXPOSED
SASA atoms
12
/ 20
% buried
40.0%
SASA
133.6Ų
CCD
2vjd (CHAIN A)
60.0% EXPOSED
SASA atoms
12
/ 20
% buried
40.0%
SASA
142.8Ų
FJN
6h13 (CHAIN A)
60.0% EXPOSED
SASA atoms
30
/ 50
% buried
40.0%
SASA
212.7Ų
FW8
6h14 (CHAIN A)
58.7% EXPOSED
SASA atoms
27
/ 46
% buried
41.3%
SASA
170.7Ų
FW8
6h14 (CHAIN B)
58.7% EXPOSED
SASA atoms
27
/ 46
% buried
41.3%
SASA
164.0Ų
DQ5
6g4o (CHAIN A)
58.6% EXPOSED
SASA atoms
17
/ 29
% buried
41.4%
SASA
171.9Ų
SAF
1gqs (CHAIN A)
58.3% EXPOSED
SASA atoms
7
/ 12
% buried
41.7%
SASA
24.0Ų
MF2
1oce (CHAIN A)
57.9% EXPOSED
SASA atoms
11
/ 19
% buried
42.1%
SASA
116.2Ų
DZ7
5nap (CHAIN A)
57.1% EXPOSED
SASA atoms
16
/ 28
% buried
42.9%
SASA
99.7Ų
JDS
6g4p (CHAIN A)
56.7% EXPOSED
SASA atoms
17
/ 30
% buried
43.3%
SASA
178.1Ų
JDS
6g4p (CHAIN B)
56.7% EXPOSED
SASA atoms
17
/ 30
% buried
43.3%
SASA
202.3Ų
4VV
5bwb (CHAIN A)
56.5% EXPOSED
SASA atoms
13
/ 23
% buried
43.5%
SASA
106.3Ų
FJK
6h12 (CHAIN B)
55.1% EXPOSED
SASA atoms
27
/ 49
% buried
44.9%
SASA
201.5Ų
CCD
2vjb (CHAIN A)
55.0% EXPOSED
SASA atoms
11
/ 20
% buried
45.0%
SASA
140.7Ų
CCD
2vja (CHAIN A)
55.0% EXPOSED
SASA atoms
11
/ 20
% buried
45.0%
SASA
134.8Ų
CCD
2vja (CHAIN B)
55.0% EXPOSED
SASA atoms
11
/ 20
% buried
45.0%
SASA
148.0Ų
AT3
2c4h (CHAIN A)
55.0% EXPOSED
SASA atoms
11
/ 20
% buried
45.0%
SASA
135.3Ų
CCD
2vjb (CHAIN B)
55.0% EXPOSED
SASA atoms
11
/ 20
% buried
45.0%
SASA
144.2Ų
8UQ
7aiu (CHAIN A)
55.0% EXPOSED
SASA atoms
22
/ 40
% buried
45.0%
SASA
130.1Ų
GSG
2bag (CHAIN A)
54.5% EXPOSED
SASA atoms
6
/ 11
% buried
45.5%
SASA
45.9Ų
E2W
6fqn (CHAIN A)
53.3% EXPOSED
SASA atoms
16
/ 30
% buried
46.7%
SASA
193.4Ų
DQ5
6g4m (CHAIN A)
51.7% EXPOSED
SASA atoms
30
/ 58
% buried
48.3%
SASA
239.0Ų
C6K
6ezg (CHAIN B)
51.7% EXPOSED
SASA atoms
15
/ 29
% buried
48.3%
SASA
90.5Ų
A1E
1zgb (CHAIN A)
51.4% EXPOSED
SASA atoms
19
/ 37
% buried
48.6%
SASA
182.5Ų
8UQ
7aiu (CHAIN B)
50.0% EXPOSED
SASA atoms
20
/ 40
% buried
50.0%
SASA
144.4Ų
SAF
1gqr (CHAIN A)
50.0% EXPOSED
SASA atoms
6
/ 12
% buried
50.0%
SASA
38.9Ų
GD8
2wfz (CHAIN A)
50.0% EXPOSED
SASA atoms
5
/ 10
% buried
50.0%
SASA
30.2Ų
DME
5e4j (CHAIN A)
50.0% EXPOSED
SASA atoms
9
/ 18
% buried
50.0%
SASA
77.3Ų
03S
5ehx (CHAIN A)
50.0% EXPOSED
SASA atoms
2
/ 4
% buried
50.0%
SASA
9.8Ų
03S
5ei5 (CHAIN A)
50.0% EXPOSED
SASA atoms
2
/ 4
% buried
50.0%
SASA
9.6Ų
TNH
4x3c (CHAIN A)
50.0% EXPOSED
SASA atoms
15
/ 30
% buried
50.0%
SASA
145.6Ų
FP1
2wg1 (CHAIN A)
50.0% EXPOSED
SASA atoms
5
/ 10
% buried
50.0%
SASA
27.7Ų
8U2
7aix (CHAIN A)
50.0% EXPOSED
SASA atoms
21
/ 42
% buried
50.0%
SASA
175.4Ų
NWA
2c5f (CHAIN A)
50.0% EXPOSED
SASA atoms
5
/ 10
% buried
50.0%
SASA
24.2Ų
EBW
1e3q (CHAIN A)
50.0% EXPOSED
SASA atoms
15
/ 30
% buried
50.0%
SASA
135.1Ų
8UK
7ait (CHAIN B)
48.7% EXPOSED
SASA atoms
19
/ 39
% buried
51.3%
SASA
135.1Ų
A2E
1zgc (CHAIN A)
48.6% EXPOSED
SASA atoms
18
/ 37
% buried
51.4%
SASA
132.6Ų
8U5
7aiw (CHAIN B)
47.6% EXPOSED
SASA atoms
20
/ 42
% buried
52.4%
SASA
163.0Ų
8UH
7ais (CHAIN B)
47.4% EXPOSED
SASA atoms
18
/ 38
% buried
52.6%
SASA
162.6Ų
E1K
6g1u (CHAIN B)
47.1% EXPOSED
SASA atoms
32
/ 68
% buried
52.9%
SASA
287.2Ų
E1K
6g1u (CHAIN A)
47.1% EXPOSED
SASA atoms
32
/ 68
% buried
52.9%
SASA
243.2Ų
A8B
1odc (CHAIN A)
47.1% EXPOSED
SASA atoms
16
/ 34
% buried
52.9%
SASA
153.9Ų
A2E
1zgc (CHAIN B)
45.9% EXPOSED
SASA atoms
17
/ 37
% buried
54.1%
SASA
126.1Ų
C6H
6ezh (CHAIN A)
44.8% EXPOSED
SASA atoms
13
/ 29
% buried
55.2%
SASA
99.6Ų
C6H
6ezh (CHAIN B)
44.8% EXPOSED
SASA atoms
13
/ 29
% buried
55.2%
SASA
97.1Ų
E12
1h23 (CHAIN A)
44.4% EXPOSED
SASA atoms
16
/ 36
% buried
55.6%
SASA
106.5Ų
E10
1h22 (CHAIN A)
44.1% EXPOSED
SASA atoms
15
/ 34
% buried
55.9%
SASA
98.1Ų
8UK
7ait (CHAIN A)
43.6% EXPOSED
SASA atoms
17
/ 39
% buried
56.4%
SASA
127.8Ų
AA7
5ei5 (CHAIN A)
43.2% EXPOSED
SASA atoms
16
/ 37
% buried
56.8%
SASA
148.0Ų
GNT
1qti (CHAIN A)
42.9% EXPOSED
SASA atoms
9
/ 21
% buried
57.1%
SASA
30.1Ų
GNT
1w76 (CHAIN A)
42.9% EXPOSED
SASA atoms
9
/ 21
% buried
57.1%
SASA
40.9Ų
GNT
1w76 (CHAIN B)
42.9% EXPOSED
SASA atoms
9
/ 21
% buried
57.1%
SASA
41.1Ų
NHG
3zv7 (CHAIN A)
42.9% EXPOSED
SASA atoms
6
/ 14
% buried
57.1%
SASA
24.1Ų
8U5
7aiw (CHAIN A)
42.9% EXPOSED
SASA atoms
18
/ 42
% buried
57.1%
SASA
126.1Ų
G6X
3i6z (CHAIN A)
42.1% EXPOSED
SASA atoms
16
/ 38
% buried
57.9%
SASA
114.7Ų
N8T
2cek (CHAIN A)
42.1% EXPOSED
SASA atoms
16
/ 38
% buried
57.9%
SASA
149.0Ų
8UH
7ais (CHAIN A)
42.1% EXPOSED
SASA atoms
16
/ 38
% buried
57.9%
SASA
140.8Ų
A8N
1ut6 (CHAIN A)
41.7% EXPOSED
SASA atoms
10
/ 24
% buried
58.3%
SASA
95.6Ų
DQ5
6g4m (CHAIN B)
41.4% EXPOSED
SASA atoms
24
/ 58
% buried
58.6%
SASA
209.3Ų
CCD
2vjc (CHAIN A)
40.0% EXPOSED
SASA atoms
4
/ 10
% buried
60.0%
SASA
25.4Ų
CCD
2vjc (CHAIN B)
40.0% EXPOSED
SASA atoms
4
/ 10
% buried
60.0%
SASA
21.7Ų
8UE
7aiv (CHAIN B)
39.0% EXPOSED
SASA atoms
16
/ 41
% buried
61.0%
SASA
151.0Ų
GL8
1w4l (CHAIN A)
38.5% EXPOSED
SASA atoms
15
/ 39
% buried
61.5%
SASA
123.9Ų
BM4
2w6c (CHAIN X)
38.5% EXPOSED
SASA atoms
10
/ 26
% buried
61.5%
SASA
85.9Ų
GNT
1dx6 (CHAIN A)
38.1% EXPOSED
SASA atoms
8
/ 21
% buried
61.9%
SASA
31.2Ų
ELT
6g4o (CHAIN A)
37.5% EXPOSED
SASA atoms
3
/ 8
% buried
62.5%
SASA
36.2Ų
ELT
6g4p (CHAIN B)
37.5% EXPOSED
SASA atoms
3
/ 8
% buried
62.5%
SASA
32.6Ų
NTJ
6g17 (CHAIN A)
37.5% EXPOSED
SASA atoms
3
/ 8
% buried
62.5%
SASA
26.3Ų
F11
2cmf (CHAIN A)
37.1% EXPOSED
SASA atoms
13
/ 35
% buried
62.9%
SASA
91.1Ų
E0Z
6g1w (CHAIN A)
35.1% EXPOSED
SASA atoms
13
/ 37
% buried
64.9%
SASA
89.0Ų
EMM
1gqr (CHAIN A)
33.3% EXPOSED
SASA atoms
2
/ 6
% buried
66.7%
SASA
3.6Ų
GNT
1w6r (CHAIN A)
33.3% EXPOSED
SASA atoms
7
/ 21
% buried
66.7%
SASA
25.4Ų
VX
1vxr (CHAIN A)
33.3% EXPOSED
SASA atoms
2
/ 6
% buried
66.7%
SASA
21.7Ų
AA7
2ckm (CHAIN A)
32.4% EXPOSED
SASA atoms
12
/ 37
% buried
67.6%
SASA
138.2Ų
TJH
4tvk (CHAIN A)
31.2% EXPOSED
SASA atoms
10
/ 32
% buried
68.8%
SASA
57.0Ų
CFQ
2v97 (CHAIN B)
31.0% EXPOSED
SASA atoms
13
/ 42
% buried
69.0%
SASA
148.4Ų
CFQ
2v98 (CHAIN B)
31.0% EXPOSED
SASA atoms
13
/ 42
% buried
69.0%
SASA
151.2Ų
CFQ
2v97 (CHAIN A)
31.0% EXPOSED
SASA atoms
13
/ 42
% buried
69.0%
SASA
149.1Ų
G3X
3i6m (CHAIN A)
31.0% EXPOSED
SASA atoms
9
/ 29
% buried
69.0%
SASA
37.4Ų
ACH
2ace (CHAIN A)
30.0% EXPOSED
SASA atoms
3
/ 10
% buried
70.0%
SASA
24.0Ų
NAF
1amn (CHAIN A)
29.4% EXPOSED
SASA atoms
5
/ 17
% buried
70.6%
SASA
16.7Ų
CFQ
2v98 (CHAIN A)
28.6% EXPOSED
SASA atoms
12
/ 42
% buried
71.4%
SASA
143.7Ų
CFQ
2v96 (CHAIN A)
28.6% EXPOSED
SASA atoms
12
/ 42
% buried
71.4%
SASA
150.1Ų
HUB
1gpn (CHAIN A)
26.3% EXPOSED
SASA atoms
5
/ 19
% buried
73.7%
SASA
17.5Ų
CFQ
2v96 (CHAIN B)
26.2% EXPOSED
SASA atoms
11
/ 42
% buried
73.8%
SASA
147.2Ų
EDR
1ax9 (CHAIN A)
25.0% EXPOSED
SASA atoms
3
/ 12
% buried
75.0%
SASA
15.7Ų
ELT
6g4p (CHAIN A)
25.0% EXPOSED
SASA atoms
2
/ 8
% buried
75.0%
SASA
33.8Ų
ELT
6g4o (CHAIN B)
25.0% EXPOSED
SASA atoms
2
/ 8
% buried
75.0%
SASA
22.9Ų
VXA
1som (CHAIN A)
25.0% EXPOSED
SASA atoms
1
/ 4
% buried
75.0%
SASA
15.0Ų
GB
2wg0 (CHAIN A)
25.0% EXPOSED
SASA atoms
1
/ 4
% buried
75.0%
SASA
16.1Ų
GB
1cfj (CHAIN A)
25.0% EXPOSED
SASA atoms
1
/ 4
% buried
75.0%
SASA
16.1Ų
GB
2wg1 (CHAIN A)
25.0% EXPOSED
SASA atoms
1
/ 4
% buried
75.0%
SASA
13.9Ų
VXA
1vxo (CHAIN A)
25.0% EXPOSED
SASA atoms
1
/ 4
% buried
75.0%
SASA
16.1Ų
EDR
2ack (CHAIN A)
25.0% EXPOSED
SASA atoms
3
/ 12
% buried
75.0%
SASA
10.9Ų
HTB
4w63 (CHAIN A)
24.2% EXPOSED
SASA atoms
8
/ 33
% buried
75.8%
SASA
27.4Ų
E1N
6g1v (CHAIN A)
22.7% EXPOSED
SASA atoms
5
/ 22
% buried
77.3%
SASA
21.6Ų
E1N
6g1v (CHAIN B)
22.7% EXPOSED
SASA atoms
5
/ 22
% buried
77.3%
SASA
22.8Ų
FBQ
1hbj (CHAIN A)
21.4% EXPOSED
SASA atoms
6
/ 28
% buried
78.6%
SASA
23.8Ų
THA
1acj (CHAIN A)
20.0% EXPOSED
SASA atoms
3
/ 15
% buried
80.0%
SASA
20.6Ų
HUX
1e66 (CHAIN A)
19.0% EXPOSED
SASA atoms
4
/ 21
% buried
81.0%
SASA
15.9Ų
HUP
1gpk (CHAIN A)
16.7% EXPOSED
SASA atoms
3
/ 18
% buried
83.3%
SASA
13.4Ų
HUP
1vot (CHAIN A)
11.1% EXPOSED
SASA atoms
2
/ 18
% buried
88.9%
SASA
13.4Ų
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)