Loading Warhead Results
Checking molecular artifacts
Initializing results command center
Preparing the first usable ligand.
WARHEAD COMMAND CENTER: cea57843 · HIV RT
F95
5hbm (CHAIN A)
100.0% EXPOSED
SASA atoms
17
/ 17
% buried
0.0%
SASA
194.5Ų
Y55
5uv5 (CHAIN C)
100.0% EXPOSED
SASA atoms
18
/ 18
% buried
0.0%
SASA
216.4Ų
ZW2
6aoc (CHAIN A)
100.0% EXPOSED
SASA atoms
19
/ 19
% buried
0.0%
SASA
256.5Ų
ZW2
6aoc (CHAIN C)
100.0% EXPOSED
SASA atoms
19
/ 19
% buried
0.0%
SASA
278.7Ų
P4Y
3qip (CHAIN A)
96.3% EXPOSED
SASA atoms
26
/ 27
% buried
3.7%
SASA
306.4Ų
EDM
3ith (CHAIN A)
93.3% EXPOSED
SASA atoms
14
/ 15
% buried
6.7%
SASA
159.5Ų
6FT
5j1e (CHAIN C)
92.9% EXPOSED
SASA atoms
26
/ 28
% buried
7.1%
SASA
376.1Ų
LP7
3lp0 (CHAIN A)
88.9% EXPOSED
SASA atoms
16
/ 18
% buried
11.1%
SASA
216.7Ų
Y55
5uv5 (CHAIN A)
88.9% EXPOSED
SASA atoms
16
/ 18
% buried
11.1%
SASA
253.2Ų
EDM
3isn (CHAIN C)
86.7% EXPOSED
SASA atoms
13
/ 15
% buried
13.3%
SASA
163.6Ų
TTP
1rtd (CHAIN A)
79.3% EXPOSED
SASA atoms
23
/ 29
% buried
20.7%
SASA
231.8Ų
LP8
3lp1 (CHAIN A)
77.8% EXPOSED
SASA atoms
14
/ 18
% buried
22.2%
SASA
227.3Ų
F2A
8vbg (CHAIN A)
76.7% EXPOSED
SASA atoms
23
/ 30
% buried
23.3%
SASA
155.3Ų
DDS
5txp (CHAIN C)
72.4% EXPOSED
SASA atoms
21
/ 29
% buried
27.6%
SASA
171.2Ų
TTP
1rtd (CHAIN C)
69.0% EXPOSED
SASA atoms
20
/ 29
% buried
31.0%
SASA
209.9Ų
1S0
7lrx (CHAIN C)
67.9% EXPOSED
SASA atoms
19
/ 28
% buried
32.1%
SASA
173.0Ų
1RY
7lry (CHAIN C)
67.9% EXPOSED
SASA atoms
19
/ 28
% buried
32.1%
SASA
211.3Ų
DGT
8x22 (CHAIN C)
67.7% EXPOSED
SASA atoms
21
/ 31
% buried
32.3%
SASA
190.5Ų
EDM
3ith (CHAIN C)
66.7% EXPOSED
SASA atoms
10
/ 15
% buried
33.3%
SASA
101.2Ų
ZQT
8tcm (CHAIN B)
66.7% EXPOSED
SASA atoms
24
/ 36
% buried
33.3%
SASA
252.5Ų
POP
8vbf (CHAIN A)
66.7% EXPOSED
SASA atoms
6
/ 9
% buried
33.3%
SASA
40.7Ų
ET9
8x21 (CHAIN A)
65.6% EXPOSED
SASA atoms
21
/ 32
% buried
34.4%
SASA
165.6Ų
ET9
8x21 (CHAIN C)
65.6% EXPOSED
SASA atoms
21
/ 32
% buried
34.4%
SASA
185.8Ų
DDS
5txm (CHAIN A)
65.5% EXPOSED
SASA atoms
19
/ 29
% buried
34.5%
SASA
201.5Ų
DDS
5txp (CHAIN A)
65.5% EXPOSED
SASA atoms
19
/ 29
% buried
34.5%
SASA
171.0Ų
XRF
7lsk (CHAIN A)
65.5% EXPOSED
SASA atoms
19
/ 29
% buried
34.5%
SASA
183.5Ų
DGT
5xn2 (CHAIN C)
64.5% EXPOSED
SASA atoms
20
/ 31
% buried
35.5%
SASA
156.9Ų
DGT
8x22 (CHAIN A)
64.5% EXPOSED
SASA atoms
20
/ 31
% buried
35.5%
SASA
157.0Ų
DCP
7lrm (CHAIN C)
64.3% EXPOSED
SASA atoms
18
/ 28
% buried
35.7%
SASA
208.5Ų
1RY
7lry (CHAIN A)
64.3% EXPOSED
SASA atoms
18
/ 28
% buried
35.7%
SASA
197.6Ų
K05
2i5j (CHAIN A)
64.0% EXPOSED
SASA atoms
16
/ 25
% buried
36.0%
SASA
200.5Ų
TNV
1t05 (CHAIN A)
63.0% EXPOSED
SASA atoms
17
/ 27
% buried
37.0%
SASA
187.8Ų
XTE
8x1z (CHAIN A)
62.9% EXPOSED
SASA atoms
22
/ 35
% buried
37.1%
SASA
165.8Ų
XTE
8x20 (CHAIN C)
62.9% EXPOSED
SASA atoms
22
/ 35
% buried
37.1%
SASA
219.4Ų
ET9
5xn1 (CHAIN A)
62.5% EXPOSED
SASA atoms
20
/ 32
% buried
37.5%
SASA
200.4Ų
TTP
7lri (CHAIN A)
62.1% EXPOSED
SASA atoms
18
/ 29
% buried
37.9%
SASA
195.4Ų
TTP
7lri (CHAIN C)
62.1% EXPOSED
SASA atoms
18
/ 29
% buried
37.9%
SASA
209.3Ų
1S0
7lrx (CHAIN A)
60.7% EXPOSED
SASA atoms
17
/ 28
% buried
39.3%
SASA
201.5Ų
DDS
5txm (CHAIN C)
58.6% EXPOSED
SASA atoms
17
/ 29
% buried
41.4%
SASA
159.8Ų
DGT
5xn2 (CHAIN A)
58.1% EXPOSED
SASA atoms
18
/ 31
% buried
41.9%
SASA
195.8Ų
DCP
7lrm (CHAIN A)
57.1% EXPOSED
SASA atoms
16
/ 28
% buried
42.9%
SASA
185.2Ų
ET9
5xn1 (CHAIN C)
56.2% EXPOSED
SASA atoms
18
/ 32
% buried
43.8%
SASA
160.7Ų
YB7
7lpx (CHAIN A)
55.2% EXPOSED
SASA atoms
16
/ 29
% buried
44.8%
SASA
213.0Ų
XRF
7lsk (CHAIN C)
55.2% EXPOSED
SASA atoms
16
/ 29
% buried
44.8%
SASA
199.4Ų
6FN
5j2m (CHAIN A)
54.5% EXPOSED
SASA atoms
18
/ 33
% buried
45.5%
SASA
151.9Ų
XTE
8x1z (CHAIN C)
51.4% EXPOSED
SASA atoms
18
/ 35
% buried
48.6%
SASA
148.4Ų
TNF
8tcl (CHAIN B)
50.0% EXPOSED
SASA atoms
24
/ 48
% buried
50.0%
SASA
228.4Ų
XTE
8x20 (CHAIN A)
48.6% EXPOSED
SASA atoms
17
/ 35
% buried
51.4%
SASA
169.9Ų
ABZ
1s9g (CHAIN A)
48.1% EXPOSED
SASA atoms
13
/ 27
% buried
51.9%
SASA
94.8Ų
TNF
8tcm (CHAIN B)
47.9% EXPOSED
SASA atoms
23
/ 48
% buried
52.1%
SASA
234.1Ų
SPP
1klm (CHAIN A)
46.9% EXPOSED
SASA atoms
15
/ 32
% buried
53.1%
SASA
93.7Ų
9TV
5vz6 (CHAIN A)
46.2% EXPOSED
SASA atoms
12
/ 26
% buried
53.8%
SASA
146.3Ų
YBD
7lqu (CHAIN A)
46.2% EXPOSED
SASA atoms
12
/ 26
% buried
53.8%
SASA
164.6Ų
HBY
1bqn (CHAIN A)
45.5% EXPOSED
SASA atoms
10
/ 22
% buried
54.5%
SASA
54.4Ų
1RE
4kko (CHAIN A)
43.8% EXPOSED
SASA atoms
14
/ 32
% buried
56.2%
SASA
178.9Ų
EFZ
1ikv (CHAIN A)
42.9% EXPOSED
SASA atoms
9
/ 21
% buried
57.1%
SASA
25.9Ų
NVP
1lwe (CHAIN A)
35.0% EXPOSED
SASA atoms
7
/ 20
% buried
65.0%
SASA
15.1Ų
NVP
1lwf (CHAIN A)
35.0% EXPOSED
SASA atoms
7
/ 20
% buried
65.0%
SASA
24.3Ų
NVP
4b3q (CHAIN A)
35.0% EXPOSED
SASA atoms
7
/ 20
% buried
65.0%
SASA
21.6Ų
AAP
1hpz (CHAIN A)
34.8% EXPOSED
SASA atoms
8
/ 23
% buried
65.2%
SASA
44.1Ų
2RS
4o44 (CHAIN A)
34.3% EXPOSED
SASA atoms
12
/ 35
% buried
65.7%
SASA
136.5Ų
9W3
7so1 (CHAIN A)
34.2% EXPOSED
SASA atoms
13
/ 38
% buried
65.8%
SASA
151.6Ų
TBO
1uwb (CHAIN A)
33.3% EXPOSED
SASA atoms
7
/ 21
% buried
66.7%
SASA
39.8Ų
VWU
8u6c (CHAIN A)
33.3% EXPOSED
SASA atoms
8
/ 24
% buried
66.7%
SASA
26.5Ų
RT3
3i0r (CHAIN A)
31.0% EXPOSED
SASA atoms
9
/ 29
% buried
69.0%
SASA
63.8Ų
UDR
3irx (CHAIN A)
30.6% EXPOSED
SASA atoms
11
/ 36
% buried
69.4%
SASA
89.0Ų
NVP
1fkp (CHAIN A)
30.0% EXPOSED
SASA atoms
6
/ 20
% buried
70.0%
SASA
19.6Ų
NVP
1s1x (CHAIN A)
30.0% EXPOSED
SASA atoms
6
/ 20
% buried
70.0%
SASA
17.4Ų
NVP
2hnd (CHAIN A)
30.0% EXPOSED
SASA atoms
6
/ 20
% buried
70.0%
SASA
15.1Ų
NVP
3qip (CHAIN A)
30.0% EXPOSED
SASA atoms
6
/ 20
% buried
70.0%
SASA
12.7Ų
NVP
4pwd (CHAIN A)
30.0% EXPOSED
SASA atoms
6
/ 20
% buried
70.0%
SASA
14.0Ų
NVP
4q0b (CHAIN A)
30.0% EXPOSED
SASA atoms
6
/ 20
% buried
70.0%
SASA
14.3Ų
AC7
3is9 (CHAIN A)
29.7% EXPOSED
SASA atoms
11
/ 37
% buried
70.3%
SASA
114.9Ų
TB9
1tvr (CHAIN A)
28.6% EXPOSED
SASA atoms
6
/ 21
% buried
71.4%
SASA
31.5Ų
DJZ
3m8q (CHAIN A)
28.6% EXPOSED
SASA atoms
10
/ 35
% buried
71.4%
SASA
91.5Ų
TPB
1s6q (CHAIN A)
28.0% EXPOSED
SASA atoms
7
/ 25
% buried
72.0%
SASA
40.6Ų
YBA
7lpw (CHAIN A)
27.6% EXPOSED
SASA atoms
8
/ 29
% buried
72.4%
SASA
137.9Ų
HBY
1bqm (CHAIN A)
27.3% EXPOSED
SASA atoms
6
/ 22
% buried
72.7%
SASA
26.0Ų
612
1c1c (CHAIN A)
27.3% EXPOSED
SASA atoms
6
/ 22
% buried
72.7%
SASA
22.3Ų
U05
1lw2 (CHAIN A)
27.3% EXPOSED
SASA atoms
6
/ 22
% buried
72.7%
SASA
31.7Ų
MKC
1rt1 (CHAIN A)
27.3% EXPOSED
SASA atoms
6
/ 22
% buried
72.7%
SASA
18.5Ų
RT7
3i0s (CHAIN A)
26.7% EXPOSED
SASA atoms
8
/ 30
% buried
73.3%
SASA
66.5Ų
QO9
3qo9 (CHAIN A)
26.3% EXPOSED
SASA atoms
10
/ 38
% buried
73.7%
SASA
73.5Ų
FPT
1dtq (CHAIN A)
25.0% EXPOSED
SASA atoms
6
/ 24
% buried
75.0%
SASA
20.3Ų
PNU
1ikx (CHAIN A)
25.0% EXPOSED
SASA atoms
5
/ 20
% buried
75.0%
SASA
22.5Ų
NVP
1lw0 (CHAIN A)
25.0% EXPOSED
SASA atoms
5
/ 20
% buried
75.0%
SASA
17.4Ų
NVP
1lwc (CHAIN A)
25.0% EXPOSED
SASA atoms
5
/ 20
% buried
75.0%
SASA
13.9Ų
NVP
1vrt (CHAIN A)
25.0% EXPOSED
SASA atoms
5
/ 20
% buried
75.0%
SASA
14.0Ų
357
2ban (CHAIN A)
25.0% EXPOSED
SASA atoms
6
/ 24
% buried
75.0%
SASA
48.8Ų
NVP
2hny (CHAIN A)
25.0% EXPOSED
SASA atoms
5
/ 20
% buried
75.0%
SASA
13.9Ų
T27
2ze2 (CHAIN A)
25.0% EXPOSED
SASA atoms
7
/ 28
% buried
75.0%
SASA
47.2Ų
T27
3bgr (CHAIN A)
25.0% EXPOSED
SASA atoms
7
/ 28
% buried
75.0%
SASA
31.9Ų
NVP
3hvt (CHAIN A)
25.0% EXPOSED
SASA atoms
5
/ 20
% buried
75.0%
SASA
22.6Ų
NVP
3lp1 (CHAIN A)
25.0% EXPOSED
SASA atoms
5
/ 20
% buried
75.0%
SASA
15.1Ų
NVP
3v81 (CHAIN A)
25.0% EXPOSED
SASA atoms
5
/ 20
% buried
75.0%
SASA
10.5Ų
NVP
3v81 (CHAIN C)
25.0% EXPOSED
SASA atoms
5
/ 20
% buried
75.0%
SASA
12.8Ų
1BT
4i2q (CHAIN A)
25.0% EXPOSED
SASA atoms
8
/ 32
% buried
75.0%
SASA
71.9Ų
NVP
4puo (CHAIN C)
25.0% EXPOSED
SASA atoms
5
/ 20
% buried
75.0%
SASA
16.6Ų
NVP
5hbm (CHAIN A)
25.0% EXPOSED
SASA atoms
5
/ 20
% buried
75.0%
SASA
9.3Ų
VTN
8u6b (CHAIN A)
25.0% EXPOSED
SASA atoms
6
/ 24
% buried
75.0%
SASA
13.6Ų
S11
1ep4 (CHAIN A)
24.1% EXPOSED
SASA atoms
7
/ 29
% buried
75.9%
SASA
35.4Ų
185
1suq (CHAIN A)
24.1% EXPOSED
SASA atoms
7
/ 29
% buried
75.9%
SASA
58.5Ų
R8E
3drp (CHAIN A)
24.1% EXPOSED
SASA atoms
7
/ 29
% buried
75.9%
SASA
14.6Ų
29T
8stp (CHAIN A)
24.1% EXPOSED
SASA atoms
7
/ 29
% buried
75.9%
SASA
30.6Ų
2RT
4o4g (CHAIN A)
24.0% EXPOSED
SASA atoms
6
/ 25
% buried
76.0%
SASA
38.5Ų
GWB
1tkx (CHAIN A)
23.8% EXPOSED
SASA atoms
5
/ 21
% buried
76.2%
SASA
28.4Ų
9UV
7snp (CHAIN A)
23.7% EXPOSED
SASA atoms
9
/ 38
% buried
76.3%
SASA
105.1Ų
XRB
8fe8 (CHAIN A)
23.7% EXPOSED
SASA atoms
9
/ 38
% buried
76.3%
SASA
77.5Ų
494
4rw6 (CHAIN A)
23.3% EXPOSED
SASA atoms
7
/ 30
% buried
76.7%
SASA
43.6Ų
3LQ
8stv (CHAIN A)
23.3% EXPOSED
SASA atoms
7
/ 30
% buried
76.7%
SASA
23.1Ų
BFU
1eet (CHAIN A)
23.1% EXPOSED
SASA atoms
6
/ 26
% buried
76.9%
SASA
29.5Ų
T90
6ecl (CHAIN A)
23.1% EXPOSED
SASA atoms
6
/ 26
% buried
76.9%
SASA
56.1Ų
VTS
8u6d (CHAIN A)
23.1% EXPOSED
SASA atoms
6
/ 26
% buried
76.9%
SASA
21.6Ų
U05
1rt3 (CHAIN A)
22.7% EXPOSED
SASA atoms
5
/ 22
% buried
77.3%
SASA
21.7Ų
U05
1rth (CHAIN A)
22.7% EXPOSED
SASA atoms
5
/ 22
% buried
77.3%
SASA
39.0Ų
UC1
1s1w (CHAIN A)
22.7% EXPOSED
SASA atoms
5
/ 22
% buried
77.3%
SASA
26.9Ų
H16
1tkz (CHAIN A)
22.7% EXPOSED
SASA atoms
5
/ 22
% buried
77.3%
SASA
26.4Ų
YO9
8fcc (CHAIN A)
22.6% EXPOSED
SASA atoms
7
/ 31
% buried
77.4%
SASA
44.8Ų
IET
1s6p (CHAIN A)
21.7% EXPOSED
SASA atoms
5
/ 23
% buried
78.3%
SASA
47.5Ų
NVE
4i7f (CHAIN A)
21.6% EXPOSED
SASA atoms
8
/ 37
% buried
78.4%
SASA
86.4Ų
65B
1sv5 (CHAIN A)
21.4% EXPOSED
SASA atoms
6
/ 28
% buried
78.6%
SASA
46.6Ų
VOU
8u6q (CHAIN A)
21.4% EXPOSED
SASA atoms
6
/ 28
% buried
78.6%
SASA
24.2Ų
M14
3c6t (CHAIN A)
21.2% EXPOSED
SASA atoms
7
/ 33
% buried
78.8%
SASA
64.7Ų
XRL
8fce (CHAIN A)
21.2% EXPOSED
SASA atoms
7
/ 33
% buried
78.8%
SASA
69.6Ų
GCA
1c1b (CHAIN A)
20.8% EXPOSED
SASA atoms
5
/ 24
% buried
79.2%
SASA
22.0Ų
NNC
2vg5 (CHAIN A)
20.8% EXPOSED
SASA atoms
5
/ 24
% buried
79.2%
SASA
27.3Ų
NNB
2vg6 (CHAIN A)
20.8% EXPOSED
SASA atoms
5
/ 24
% buried
79.2%
SASA
30.4Ų
R8E
3drr (CHAIN A)
20.7% EXPOSED
SASA atoms
6
/ 29
% buried
79.3%
SASA
19.2Ų
3X6
4rw8 (CHAIN A)
20.7% EXPOSED
SASA atoms
6
/ 29
% buried
79.3%
SASA
16.6Ų
NVP
1s1u (CHAIN A)
20.0% EXPOSED
SASA atoms
4
/ 20
% buried
80.0%
SASA
12.7Ų
YKN
2ykm (CHAIN A)
20.0% EXPOSED
SASA atoms
4
/ 20
% buried
80.0%
SASA
8.3Ų
YKN
2ykn (CHAIN A)
20.0% EXPOSED
SASA atoms
4
/ 20
% buried
80.0%
SASA
10.7Ų
NVP
3lp0 (CHAIN A)
20.0% EXPOSED
SASA atoms
4
/ 20
% buried
80.0%
SASA
11.6Ų
NVP
4puo (CHAIN A)
20.0% EXPOSED
SASA atoms
4
/ 20
% buried
80.0%
SASA
11.8Ų
NVP
4pwd (CHAIN C)
20.0% EXPOSED
SASA atoms
4
/ 20
% buried
80.0%
SASA
13.1Ų
NVP
4q0b (CHAIN C)
20.0% EXPOSED
SASA atoms
4
/ 20
% buried
80.0%
SASA
8.1Ų
NVP
7kjx (CHAIN A)
20.0% EXPOSED
SASA atoms
4
/ 20
% buried
80.0%
SASA
15.2Ų
TT1
2rki (CHAIN A)
19.2% EXPOSED
SASA atoms
5
/ 26
% buried
80.8%
SASA
39.9Ų
VU8
8u6f (CHAIN A)
19.2% EXPOSED
SASA atoms
5
/ 26
% buried
80.8%
SASA
12.1Ų
EFZ
1fko (CHAIN A)
19.0% EXPOSED
SASA atoms
4
/ 21
% buried
81.0%
SASA
8.2Ų
TBO
1hnv (CHAIN A)
19.0% EXPOSED
SASA atoms
4
/ 21
% buried
81.0%
SASA
27.8Ų
EFZ
1ikw (CHAIN A)
19.0% EXPOSED
SASA atoms
4
/ 21
% buried
81.0%
SASA
14.2Ų
HEF
1rti (CHAIN A)
19.0% EXPOSED
SASA atoms
4
/ 21
% buried
81.0%
SASA
12.2Ų
AAA
1hni (CHAIN A)
18.5% EXPOSED
SASA atoms
5
/ 27
% buried
81.5%
SASA
34.9Ų
TNK
1rt2 (CHAIN A)
18.5% EXPOSED
SASA atoms
5
/ 27
% buried
81.5%
SASA
28.3Ų
TNK
1s1v (CHAIN A)
18.5% EXPOSED
SASA atoms
5
/ 27
% buried
81.5%
SASA
35.7Ų
IB1
5k14 (CHAIN A)
18.5% EXPOSED
SASA atoms
5
/ 27
% buried
81.5%
SASA
34.6Ų
VWK
8u6n (CHAIN A)
18.5% EXPOSED
SASA atoms
5
/ 27
% buried
81.5%
SASA
19.3Ų
HBY
1hqu (CHAIN A)
18.2% EXPOSED
SASA atoms
4
/ 22
% buried
81.8%
SASA
28.7Ų
3AC
2b5j (CHAIN A)
18.2% EXPOSED
SASA atoms
4
/ 22
% buried
81.8%
SASA
31.0Ų
3OB
3ffi (CHAIN A)
18.2% EXPOSED
SASA atoms
6
/ 33
% buried
81.8%
SASA
37.8Ų
VM5
7taz (CHAIN A)
18.2% EXPOSED
SASA atoms
6
/ 33
% buried
81.8%
SASA
67.8Ų
T27
2zd1 (CHAIN A)
17.9% EXPOSED
SASA atoms
5
/ 28
% buried
82.1%
SASA
28.2Ų
R8D
3drs (CHAIN A)
17.9% EXPOSED
SASA atoms
5
/ 28
% buried
82.1%
SASA
18.3Ų
5DV
5fdl (CHAIN A)
17.9% EXPOSED
SASA atoms
5
/ 28
% buried
82.1%
SASA
38.4Ų
J63
5tuq (CHAIN A)
17.9% EXPOSED
SASA atoms
5
/ 28
% buried
82.1%
SASA
34.3Ų
VP2
8u6r (CHAIN A)
17.9% EXPOSED
SASA atoms
5
/ 28
% buried
82.1%
SASA
19.8Ų
BM5
1c0u (CHAIN A)
17.4% EXPOSED
SASA atoms
4
/ 23
% buried
82.6%
SASA
31.7Ų
AAP
1vru (CHAIN A)
17.4% EXPOSED
SASA atoms
4
/ 23
% buried
82.6%
SASA
42.3Ų
PC0
2hnz (CHAIN A)
17.4% EXPOSED
SASA atoms
4
/ 23
% buried
82.6%
SASA
25.7Ų
29T
4mfb (CHAIN A)
17.2% EXPOSED
SASA atoms
5
/ 29
% buried
82.8%
SASA
18.8Ų
29T
5c42 (CHAIN A)
17.2% EXPOSED
SASA atoms
5
/ 29
% buried
82.8%
SASA
14.7Ų
VQ0
8u69 (CHAIN A)
17.2% EXPOSED
SASA atoms
5
/ 29
% buried
82.8%
SASA
22.7Ų
VWB
8u6o (CHAIN A)
17.2% EXPOSED
SASA atoms
5
/ 29
% buried
82.8%
SASA
28.6Ų
NNI
2vg7 (CHAIN A)
16.7% EXPOSED
SASA atoms
4
/ 24
% buried
83.3%
SASA
24.6Ų
1YR
4lsn (CHAIN A)
16.7% EXPOSED
SASA atoms
5
/ 30
% buried
83.3%
SASA
30.5Ų
494
4rw4 (CHAIN A)
16.7% EXPOSED
SASA atoms
5
/ 30
% buried
83.3%
SASA
34.4Ų
3LQ
8stv (CHAIN C)
16.7% EXPOSED
SASA atoms
5
/ 30
% buried
83.3%
SASA
21.9Ų
VRQ
8u6l (CHAIN A)
16.7% EXPOSED
SASA atoms
8
/ 48
% buried
83.3%
SASA
20.4Ų
VQK
8u6a (CHAIN A)
16.1% EXPOSED
SASA atoms
5
/ 31
% buried
83.9%
SASA
54.3Ų
ADB
1s9e (CHAIN A)
16.0% EXPOSED
SASA atoms
4
/ 25
% buried
84.0%
SASA
49.2Ų
7N1
5tw3 (CHAIN A)
15.6% EXPOSED
SASA atoms
5
/ 32
% buried
84.4%
SASA
16.3Ų
ZJ2
8fcd (CHAIN A)
15.6% EXPOSED
SASA atoms
5
/ 32
% buried
84.4%
SASA
47.0Ų
7N1
8str (CHAIN A)
15.6% EXPOSED
SASA atoms
5
/ 32
% buried
84.4%
SASA
22.7Ų
R22
2be2 (CHAIN A)
15.4% EXPOSED
SASA atoms
4
/ 26
% buried
84.6%
SASA
9.5Ų
BM1
1c0t (CHAIN A)
15.0% EXPOSED
SASA atoms
3
/ 20
% buried
85.0%
SASA
10.2Ų
MSD
1iky (CHAIN A)
14.8% EXPOSED
SASA atoms
4
/ 27
% buried
85.2%
SASA
43.7Ų
CP9
1tv6 (CHAIN A)
14.8% EXPOSED
SASA atoms
4
/ 27
% buried
85.2%
SASA
9.0Ų
T50
2b6a (CHAIN A)
14.8% EXPOSED
SASA atoms
4
/ 27
% buried
85.2%
SASA
28.8Ų
EFZ
1fk9 (CHAIN A)
14.3% EXPOSED
SASA atoms
3
/ 21
% buried
85.7%
SASA
10.9Ų
TB9
1rev (CHAIN A)
14.3% EXPOSED
SASA atoms
3
/ 21
% buried
85.7%
SASA
13.5Ų
MRX
2rf2 (CHAIN A)
14.3% EXPOSED
SASA atoms
3
/ 21
% buried
85.7%
SASA
17.6Ų
CXD
2yni (CHAIN A)
14.3% EXPOSED
SASA atoms
4
/ 28
% buried
85.7%
SASA
17.1Ų
M22
3c6u (CHAIN A)
14.3% EXPOSED
SASA atoms
4
/ 28
% buried
85.7%
SASA
19.7Ų
PZL
3dya (CHAIN A)
14.3% EXPOSED
SASA atoms
4
/ 28
% buried
85.7%
SASA
18.8Ų
M06
3tam (CHAIN A)
14.3% EXPOSED
SASA atoms
4
/ 28
% buried
85.7%
SASA
19.0Ų
2KW
4ncg (CHAIN A)
13.8% EXPOSED
SASA atoms
4
/ 29
% buried
86.2%
SASA
16.7Ų
3X6
4rw9 (CHAIN A)
13.8% EXPOSED
SASA atoms
4
/ 29
% buried
86.2%
SASA
28.6Ų
H12
1tkt (CHAIN A)
13.6% EXPOSED
SASA atoms
3
/ 22
% buried
86.4%
SASA
25.1Ų
EUR
2ynh (CHAIN A)
13.3% EXPOSED
SASA atoms
4
/ 30
% buried
86.7%
SASA
41.3Ų
506
4h4o (CHAIN A)
13.3% EXPOSED
SASA atoms
4
/ 30
% buried
86.7%
SASA
28.3Ų
3LQ
8stq (CHAIN A)
13.3% EXPOSED
SASA atoms
4
/ 30
% buried
86.7%
SASA
19.7Ų
FTC
1dtt (CHAIN A)
13.0% EXPOSED
SASA atoms
3
/ 23
% buried
87.0%
SASA
13.0Ų
H18
1tl1 (CHAIN A)
13.0% EXPOSED
SASA atoms
3
/ 23
% buried
87.0%
SASA
18.6Ų
ZZE
2won (CHAIN A)
13.0% EXPOSED
SASA atoms
3
/ 23
% buried
87.0%
SASA
15.7Ų
PDZ
3di6 (CHAIN A)
13.0% EXPOSED
SASA atoms
3
/ 23
% buried
87.0%
SASA
7.9Ų
T27
4g1q (CHAIN A)
13.0% EXPOSED
SASA atoms
6
/ 46
% buried
87.0%
SASA
29.2Ų
VVN
8u6i (CHAIN A)
10.9% EXPOSED
SASA atoms
5
/ 46
% buried
89.1%
SASA
18.4Ų
VR9
8u6j (CHAIN A)
10.9% EXPOSED
SASA atoms
5
/ 46
% buried
89.1%
SASA
35.6Ų
65B
3m8p (CHAIN A)
10.7% EXPOSED
SASA atoms
3
/ 28
% buried
89.3%
SASA
33.2Ų
WHU
2yng (CHAIN A)
10.3% EXPOSED
SASA atoms
3
/ 29
% buried
89.7%
SASA
19.9Ų
1YQ
4lsl (CHAIN A)
10.3% EXPOSED
SASA atoms
3
/ 29
% buried
89.7%
SASA
15.5Ų
3X6
4rw7 (CHAIN A)
10.3% EXPOSED
SASA atoms
3
/ 29
% buried
89.7%
SASA
29.0Ų
UC1
1s1t (CHAIN A)
9.1% EXPOSED
SASA atoms
2
/ 22
% buried
90.9%
SASA
17.2Ų
H20
1tl3 (CHAIN A)
9.1% EXPOSED
SASA atoms
2
/ 22
% buried
90.9%
SASA
25.8Ų
ZZE
2wom (CHAIN A)
8.7% EXPOSED
SASA atoms
2
/ 23
% buried
91.3%
SASA
13.2Ų
VW2
8u6m (CHAIN A)
8.7% EXPOSED
SASA atoms
4
/ 46
% buried
91.3%
SASA
28.8Ų
WHU
2ynf (CHAIN A)
6.9% EXPOSED
SASA atoms
2
/ 29
% buried
93.1%
SASA
19.7Ų
EFZ
4b3o (CHAIN A)
4.8% EXPOSED
SASA atoms
1
/ 21
% buried
95.2%
SASA
8.6Ų
CB5
1ztz (CHAIN P)
0.0% EXPOSED
SASA atoms
0
/ 0
% buried
100.0%
SASA
0.0Ų
1WT
4kv8 (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)