WARHEAD COMMAND CENTER: d750cfea · Protease
PI8
1d4k (CHAIN A)
78.4% EXPOSED
SASA atoms
40
/ 51
% buried
21.6%
SASA
437.1Ų
2NC
3hdk (CHAIN B)
77.8% EXPOSED
SASA atoms
42
/ 54
% buried
22.2%
SASA
583.3Ų
478
3ekp (CHAIN C)
77.1% EXPOSED
SASA atoms
27
/ 35
% buried
22.9%
SASA
320.7Ų
DRS
3bxs (CHAIN A)
76.9% EXPOSED
SASA atoms
20
/ 26
% buried
23.1%
SASA
228.9Ų
PI9
1d4l (CHAIN A)
76.7% EXPOSED
SASA atoms
33
/ 43
% buried
23.3%
SASA
394.9Ų
1UN
3ekx (CHAIN B)
75.0% EXPOSED
SASA atoms
30
/ 40
% buried
25.0%
SASA
342.8Ų
DR7
3oxx (CHAIN C)
74.5% EXPOSED
SASA atoms
38
/ 51
% buried
25.5%
SASA
454.8Ų
478
3em3 (CHAIN B)
74.3% EXPOSED
SASA atoms
26
/ 35
% buried
25.7%
SASA
312.7Ų
478
3oxv (CHAIN C)
74.3% EXPOSED
SASA atoms
26
/ 35
% buried
25.7%
SASA
415.0Ų
2NC
3nwq (CHAIN A)
74.1% EXPOSED
SASA atoms
40
/ 54
% buried
25.9%
SASA
561.3Ų
2NC
3haw (CHAIN B)
74.1% EXPOSED
SASA atoms
40
/ 54
% buried
25.9%
SASA
581.8Ų
2NC
3hau (CHAIN A)
74.1% EXPOSED
SASA atoms
40
/ 54
% buried
25.9%
SASA
569.0Ų
017
3ekt (CHAIN D)
73.7% EXPOSED
SASA atoms
28
/ 38
% buried
26.3%
SASA
321.8Ų
017
3oy4 (CHAIN B)
73.7% EXPOSED
SASA atoms
28
/ 38
% buried
26.3%
SASA
328.5Ų
ROC
3el4 (CHAIN A)
73.5% EXPOSED
SASA atoms
36
/ 49
% buried
26.5%
SASA
451.5Ų
DRR
3bxr (CHAIN B)
73.5% EXPOSED
SASA atoms
36
/ 49
% buried
26.5%
SASA
405.8Ų
HBB
1z1h (CHAIN A)
72.5% EXPOSED
SASA atoms
29
/ 40
% buried
27.5%
SASA
368.2Ų
DR7
3ekw (CHAIN B)
72.5% EXPOSED
SASA atoms
37
/ 51
% buried
27.5%
SASA
398.7Ų
478
3oxv (CHAIN A)
71.4% EXPOSED
SASA atoms
25
/ 35
% buried
28.6%
SASA
307.0Ų
017
3oxw (CHAIN D)
71.1% EXPOSED
SASA atoms
27
/ 38
% buried
28.9%
SASA
297.0Ų
017
3oxw (CHAIN B)
71.1% EXPOSED
SASA atoms
27
/ 38
% buried
28.9%
SASA
318.7Ų
DR7
3oxx (CHAIN A)
70.6% EXPOSED
SASA atoms
36
/ 51
% buried
29.4%
SASA
478.0Ų
DR7
3el9 (CHAIN A)
70.6% EXPOSED
SASA atoms
36
/ 51
% buried
29.4%
SASA
431.3Ų
DR7
3em4 (CHAIN A)
70.6% EXPOSED
SASA atoms
36
/ 51
% buried
29.4%
SASA
425.2Ų
DR7
3em4 (CHAIN V)
70.6% EXPOSED
SASA atoms
36
/ 51
% buried
29.4%
SASA
435.1Ų
K53
3mxd (CHAIN A)
70.5% EXPOSED
SASA atoms
31
/ 44
% buried
29.5%
SASA
390.2Ų
2NC
3hbo (CHAIN A)
70.4% EXPOSED
SASA atoms
38
/ 54
% buried
29.6%
SASA
508.2Ų
2NC
3nyg (CHAIN A)
70.4% EXPOSED
SASA atoms
38
/ 54
% buried
29.6%
SASA
491.5Ų
K54
3mxe (CHAIN A)
70.2% EXPOSED
SASA atoms
33
/ 47
% buried
29.8%
SASA
424.8Ų
1UN
3el0 (CHAIN A)
70.0% EXPOSED
SASA atoms
28
/ 40
% buried
30.0%
SASA
390.4Ų
DRS
3bxs (CHAIN B)
69.2% EXPOSED
SASA atoms
18
/ 26
% buried
30.8%
SASA
212.7Ų
478
3ekv (CHAIN A)
68.6% EXPOSED
SASA atoms
24
/ 35
% buried
31.4%
SASA
318.0Ų
DR7
3el1 (CHAIN A)
68.6% EXPOSED
SASA atoms
35
/ 51
% buried
31.4%
SASA
456.4Ų
478
3ekp (CHAIN B)
68.6% EXPOSED
SASA atoms
24
/ 35
% buried
31.4%
SASA
323.9Ų
017
3lzv (CHAIN A)
68.4% EXPOSED
SASA atoms
26
/ 38
% buried
31.6%
SASA
316.4Ų
KVS
3nwx (CHAIN B)
67.9% EXPOSED
SASA atoms
38
/ 56
% buried
32.1%
SASA
661.1Ų
ROC
3ekq (CHAIN A)
67.3% EXPOSED
SASA atoms
33
/ 49
% buried
32.7%
SASA
431.1Ų
DR7
3eky (CHAIN A)
66.7% EXPOSED
SASA atoms
34
/ 51
% buried
33.3%
SASA
444.0Ų
017
3ekt (CHAIN B)
65.8% EXPOSED
SASA atoms
25
/ 38
% buried
34.2%
SASA
317.8Ų
017
3em6 (CHAIN A)
65.8% EXPOSED
SASA atoms
25
/ 38
% buried
34.2%
SASA
325.0Ų
478
3oxv (CHAIN B)
65.7% EXPOSED
SASA atoms
23
/ 35
% buried
34.3%
SASA
332.3Ų
1UN
3el5 (CHAIN B)
65.0% EXPOSED
SASA atoms
26
/ 40
% buried
35.0%
SASA
347.6Ų
HBH
1z1r (CHAIN A)
61.0% EXPOSED
SASA atoms
25
/ 41
% buried
39.0%
SASA
349.1Ų
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)