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Preparing the first usable ligand.

WARHEAD COMMAND CENTER: ef1dab86 · HSP90

KXQ

7hbu (CHAIN A)

100.0% EXPOSED

SASA atoms

12 / 12

% buried

0.0%

SASA

198.8Å²

A51

2qfo (CHAIN A)

85.7% EXPOSED

SASA atoms

12 / 14

% buried

14.3%

SASA

99.3Å²

A94

2qg0 (CHAIN A)

70.4% EXPOSED

SASA atoms

19 / 27

% buried

29.6%

SASA

80.6Å²

ZZ3

2wi2 (CHAIN B)

70.0% EXPOSED

SASA atoms

7 / 10

% buried

30.0%

SASA

54.6Å²

2A7

2ye5 (CHAIN A)

70.0% EXPOSED

SASA atoms

7 / 10

% buried

30.0%

SASA

30.6Å²

8K2

7h9u (CHAIN A)

70.0% EXPOSED

SASA atoms

14 / 20

% buried

30.0%

SASA

210.7Å²

LGA

2jjc (CHAIN A)

66.7% EXPOSED

SASA atoms

8 / 12

% buried

33.3%

SASA

29.1Å²

A13

2qfo (CHAIN A)

66.7% EXPOSED

SASA atoms

8 / 12

% buried

33.3%

SASA

46.9Å²

MO8

3ft5 (CHAIN A)

66.7% EXPOSED

SASA atoms

8 / 12

% buried

33.3%

SASA

49.5Å²

42C

3hyz (CHAIN A)

66.7% EXPOSED

SASA atoms

8 / 12

% buried

33.3%

SASA

50.2Å²

42C

3hz1 (CHAIN A)

66.7% EXPOSED

SASA atoms

8 / 12

% buried

33.3%

SASA

64.8Å²

42C

4fcp (CHAIN A)

66.7% EXPOSED

SASA atoms

8 / 12

% buried

33.3%

SASA

49.7Å²

ZZ6

2wi6 (CHAIN A)

65.2% EXPOSED

SASA atoms

15 / 23

% buried

34.8%

SASA

81.4Å²

H64

2fwy (CHAIN A)

64.3% EXPOSED

SASA atoms

18 / 28

% buried

35.7%

SASA

140.3Å²

54F

7ha0 (CHAIN A)

64.3% EXPOSED

SASA atoms

9 / 14

% buried

35.7%

SASA

126.0Å²

PU7

1uyc (CHAIN A)

64.0% EXPOSED

SASA atoms

16 / 25

% buried

36.0%

SASA

93.6Å²

6LV

4cwn (CHAIN A)

64.0% EXPOSED

SASA atoms

16 / 25

% buried

36.0%

SASA

62.7Å²

PU2

1uyg (CHAIN A)

63.6% EXPOSED

SASA atoms

14 / 22

% buried

36.4%

SASA

59.2Å²

XQG

2yeg (CHAIN B)

63.6% EXPOSED

SASA atoms

7 / 11

% buried

36.4%

SASA

43.1Å²

7FT

5h22 (CHAIN A)

62.1% EXPOSED

SASA atoms

18 / 29

% buried

37.9%

SASA

99.4Å²

GQ0

7d22 (CHAIN A)

61.9% EXPOSED

SASA atoms

13 / 21

% buried

38.1%

SASA

67.9Å²

GQ3

7d24 (CHAIN A)

61.9% EXPOSED

SASA atoms

13 / 21

% buried

38.1%

SASA

67.1Å²

AGS

3t2s (CHAIN A)

61.3% EXPOSED

SASA atoms

19 / 31

% buried

38.7%

SASA

195.2Å²

MEX

3ow6 (CHAIN A)

61.1% EXPOSED

SASA atoms

11 / 18

% buried

38.9%

SASA

69.8Å²

ZZ4

2wi4 (CHAIN A)

60.9% EXPOSED

SASA atoms

14 / 23

% buried

39.1%

SASA

101.5Å²

ZZ3

2wi2 (CHAIN A)

60.0% EXPOSED

SASA atoms

6 / 10

% buried

40.0%

SASA

48.5Å²

XJX

2xjx (CHAIN A)

60.0% EXPOSED

SASA atoms

18 / 30

% buried

40.0%

SASA

210.1Å²

FMQ

7hap (CHAIN A)

60.0% EXPOSED

SASA atoms

9 / 15

% buried

40.0%

SASA

72.3Å²

A7Q

7hb1 (CHAIN A)

60.0% EXPOSED

SASA atoms

9 / 15

% buried

40.0%

SASA

39.7Å²

42C

3hyz (CHAIN B)

58.3% EXPOSED

SASA atoms

7 / 12

% buried

41.7%

SASA

43.9Å²

6RO

7hb5 (CHAIN A)

58.3% EXPOSED

SASA atoms

14 / 24

% buried

41.7%

SASA

174.6Å²

2KL

2wi7 (CHAIN A)

58.1% EXPOSED

SASA atoms

18 / 31

% buried

41.9%

SASA

161.4Å²

AGS

3t2s (CHAIN B)

58.1% EXPOSED

SASA atoms

18 / 31

% buried

41.9%

SASA

151.0Å²

Q9O

8w4v (CHAIN A)

57.9% EXPOSED

SASA atoms

11 / 19

% buried

42.1%

SASA

63.8Å²

Z64

3hz5 (CHAIN A)

57.7% EXPOSED

SASA atoms

15 / 26

% buried

42.3%

SASA

69.5Å²

G3R

4cws (CHAIN A)

57.1% EXPOSED

SASA atoms

16 / 28

% buried

42.9%

SASA

101.0Å²

72Y

5lr1 (CHAIN A)

57.1% EXPOSED

SASA atoms

12 / 21

% buried

42.9%

SASA

65.1Å²

BZ8

2yi7 (CHAIN A)

56.5% EXPOSED

SASA atoms

13 / 23

% buried

43.5%

SASA

79.8Å²

S46

4l94 (CHAIN A)

56.2% EXPOSED

SASA atoms

9 / 16

% buried

43.8%

SASA

61.5Å²

A94

2qg0 (CHAIN B)

55.6% EXPOSED

SASA atoms

15 / 27

% buried

44.4%

SASA

77.3Å²

MOJ

3ft8 (CHAIN A)

55.6% EXPOSED

SASA atoms

15 / 27

% buried

44.4%

SASA

64.2Å²

VHE

3vhd (CHAIN A)

55.6% EXPOSED

SASA atoms

15 / 27

% buried

44.4%

SASA

116.5Å²

IK9

4cwt (CHAIN A)

55.2% EXPOSED

SASA atoms

16 / 29

% buried

44.8%

SASA

95.9Å²

FJ4

4lwg (CHAIN A)

55.0% EXPOSED

SASA atoms

11 / 20

% buried

45.0%

SASA

86.5Å²

TV2

4cwp (CHAIN A)

54.2% EXPOSED

SASA atoms

13 / 24

% buried

45.8%

SASA

67.4Å²

PU0

1uyh (CHAIN A)

53.8% EXPOSED

SASA atoms

14 / 26

% buried

46.2%

SASA

93.8Å²

2D7

2byh (CHAIN A)

53.8% EXPOSED

SASA atoms

14 / 26

% buried

46.2%

SASA

67.3Å²

ZZ2

2wi1 (CHAIN A)

53.8% EXPOSED

SASA atoms

7 / 13

% buried

46.2%

SASA

39.4Å²

W2D

4cwq (CHAIN A)

53.6% EXPOSED

SASA atoms

15 / 28

% buried

46.4%

SASA

96.8Å²

H05

4cwf (CHAIN A)

52.9% EXPOSED

SASA atoms

9 / 17

% buried

47.1%

SASA

65.2Å²

A56

2qf6 (CHAIN B)

52.6% EXPOSED

SASA atoms

10 / 19

% buried

47.4%

SASA

47.1Å²

PU5

1uy8 (CHAIN A)

52.2% EXPOSED

SASA atoms

12 / 23

% buried

47.8%

SASA

91.8Å²

S36

4l93 (CHAIN A)

52.2% EXPOSED

SASA atoms

12 / 23

% buried

47.8%

SASA

95.3Å²

PUX

1uyk (CHAIN A)

52.0% EXPOSED

SASA atoms

13 / 25

% buried

48.0%

SASA

87.3Å²

HAJ

4cwr (CHAIN A)

52.0% EXPOSED

SASA atoms

13 / 25

% buried

48.0%

SASA

65.0Å²

PUZ

1uyi (CHAIN A)

51.9% EXPOSED

SASA atoms

14 / 27

% buried

48.1%

SASA

80.6Å²

4BC

1yc1 (CHAIN A)

51.9% EXPOSED

SASA atoms

14 / 27

% buried

48.1%

SASA

76.8Å²

VHA

3vha (CHAIN A)

51.9% EXPOSED

SASA atoms

14 / 27

% buried

48.1%

SASA

109.4Å²

DZ8

2h55 (CHAIN A)

51.7% EXPOSED

SASA atoms

15 / 29

% buried

48.3%

SASA

117.4Å²

PU6

1uy9 (CHAIN A)

50.0% EXPOSED

SASA atoms

12 / 24

% buried

50.0%

SASA

86.6Å²

H71

2fwz (CHAIN A)

50.0% EXPOSED

SASA atoms

14 / 28

% buried

50.0%

SASA

110.5Å²

ZZ3

2wi3 (CHAIN A)

50.0% EXPOSED

SASA atoms

5 / 10

% buried

50.0%

SASA

26.3Å²

VHD

2xab (CHAIN B)

50.0% EXPOSED

SASA atoms

11 / 22

% buried

50.0%

SASA

77.2Å²

2FY

2ye4 (CHAIN A)

50.0% EXPOSED

SASA atoms

6 / 12

% buried

50.0%

SASA

25.2Å²

P54

3o0i (CHAIN A)

50.0% EXPOSED

SASA atoms

12 / 24

% buried

50.0%

SASA

75.0Å²

3RP

3rlp (CHAIN B)

50.0% EXPOSED

SASA atoms

9 / 18

% buried

50.0%

SASA

84.4Å²

42C

4fcp (CHAIN B)

50.0% EXPOSED

SASA atoms

6 / 12

% buried

50.0%

SASA

28.0Å²

9UN

4b7p (CHAIN A)

48.5% EXPOSED

SASA atoms

16 / 33

% buried

51.5%

SASA

152.9Å²

2D9

2ccu (CHAIN A)

48.4% EXPOSED

SASA atoms

15 / 31

% buried

51.6%

SASA

144.0Å²

JR9

4r3m (CHAIN A)

48.3% EXPOSED

SASA atoms

14 / 29

% buried

51.7%

SASA

86.9Å²

VHE

3vhd (CHAIN B)

48.1% EXPOSED

SASA atoms

13 / 27

% buried

51.9%

SASA

98.6Å²

XJG

2xjg (CHAIN A)

47.8% EXPOSED

SASA atoms

11 / 23

% buried

52.2%

SASA

88.0Å²

L81

2xjj (CHAIN B)

47.8% EXPOSED

SASA atoms

11 / 23

% buried

52.2%

SASA

84.4Å²

GQ9

7d26 (CHAIN A)

47.8% EXPOSED

SASA atoms

11 / 23

% buried

52.2%

SASA

72.9Å²

73Z

5ls1 (CHAIN A)

46.7% EXPOSED

SASA atoms

14 / 30

% buried

53.3%

SASA

76.1Å²

WHA

3wha (CHAIN A)

46.4% EXPOSED

SASA atoms

13 / 28

% buried

53.6%

SASA

91.3Å²

WHA

3wha (CHAIN B)

46.4% EXPOSED

SASA atoms

13 / 28

% buried

53.6%

SASA

96.8Å²

YI5

2yi5 (CHAIN A)

45.8% EXPOSED

SASA atoms

11 / 24

% buried

54.2%

SASA

153.7Å²

PY9

3ekr (CHAIN A)

45.5% EXPOSED

SASA atoms

10 / 22

% buried

54.5%

SASA

65.1Å²

PY9

3ekr (CHAIN B)

45.5% EXPOSED

SASA atoms

10 / 22

% buried

54.5%

SASA

54.2Å²

GDM

1yet (CHAIN A)

45.0% EXPOSED

SASA atoms

18 / 40

% buried

55.0%

SASA

137.7Å²

YJW

2yk2 (CHAIN A)

45.0% EXPOSED

SASA atoms

9 / 20

% buried

55.0%

SASA

70.0Å²

VHC

3vhc (CHAIN A)

44.8% EXPOSED

SASA atoms

13 / 29

% buried

55.2%

SASA

104.6Å²

PU3

1uym (CHAIN A)

44.4% EXPOSED

SASA atoms

12 / 27

% buried

55.6%

SASA

89.8Å²

CXZ

3bmy (CHAIN A)

44.4% EXPOSED

SASA atoms

12 / 27

% buried

55.6%

SASA

83.2Å²

3RP

3rlp (CHAIN A)

44.4% EXPOSED

SASA atoms

8 / 18

% buried

55.6%

SASA

77.2Å²

ZZ5

2wi5 (CHAIN A)

44.0% EXPOSED

SASA atoms

11 / 25

% buried

56.0%

SASA

52.5Å²

PYU

3eko (CHAIN B)

43.8% EXPOSED

SASA atoms

7 / 16

% buried

56.2%

SASA

53.4Å²

06J

3r92 (CHAIN A)

43.8% EXPOSED

SASA atoms

14 / 32

% buried

56.2%

SASA

78.2Å²

FJ1

4hy6 (CHAIN A)

43.8% EXPOSED

SASA atoms

7 / 16

% buried

56.2%

SASA

39.9Å²

PU4

1uy7 (CHAIN A)

43.5% EXPOSED

SASA atoms

10 / 23

% buried

56.5%

SASA

98.7Å²

L81

2xjj (CHAIN A)

43.5% EXPOSED

SASA atoms

10 / 23

% buried

56.5%

SASA

84.5Å²

BD0

3hek (CHAIN A)

43.3% EXPOSED

SASA atoms

13 / 30

% buried

56.7%

SASA

85.2Å²

74E

5t21 (CHAIN A)

43.3% EXPOSED

SASA atoms

13 / 30

% buried

56.7%

SASA

73.7Å²

PU8

1uyd (CHAIN A)

42.9% EXPOSED

SASA atoms

12 / 28

% buried

57.1%

SASA

88.1Å²

WP1

7hb7 (CHAIN A)

42.9% EXPOSED

SASA atoms

6 / 14

% buried

57.1%

SASA

51.5Å²

CT5

2bt0 (CHAIN A)

42.3% EXPOSED

SASA atoms

11 / 26

% buried

57.7%

SASA

88.5Å²

FJ2

4lwe (CHAIN A)

42.3% EXPOSED

SASA atoms

11 / 26

% buried

57.7%

SASA

97.0Å²

A56

2qf6 (CHAIN A)

42.1% EXPOSED

SASA atoms

8 / 19

% buried

57.9%

SASA

39.8Å²

A56

2qf6 (CHAIN D)

42.1% EXPOSED

SASA atoms

8 / 19

% buried

57.9%

SASA

42.3Å²

X29

4l91 (CHAIN A)

42.1% EXPOSED

SASA atoms

8 / 19

% buried

57.9%

SASA

51.2Å²

A91

2qg2 (CHAIN A)

41.7% EXPOSED

SASA atoms

10 / 24

% buried

58.3%

SASA

57.7Å²

KOS

1osf (CHAIN A)

40.9% EXPOSED

SASA atoms

18 / 44

% buried

59.1%

SASA

196.9Å²

VHD

2xab (CHAIN A)

40.9% EXPOSED

SASA atoms

9 / 22

% buried

59.1%

SASA

84.5Å²

YI0

2yi0 (CHAIN A)

40.9% EXPOSED

SASA atoms

9 / 22

% buried

59.1%

SASA

55.1Å²

PU3

1uy6 (CHAIN A)

40.7% EXPOSED

SASA atoms

11 / 27

% buried

59.3%

SASA

108.4Å²

BSM

3owb (CHAIN A)

40.7% EXPOSED

SASA atoms

11 / 27

% buried

59.3%

SASA

67.6Å²

43P

1yc4 (CHAIN A)

40.0% EXPOSED

SASA atoms

8 / 20

% buried

60.0%

SASA

51.2Å²

AB4

2bz5 (CHAIN B)

40.0% EXPOSED

SASA atoms

12 / 30

% buried

60.0%

SASA

93.2Å²

4BH

2ccs (CHAIN A)

40.0% EXPOSED

SASA atoms

8 / 20

% buried

60.0%

SASA

33.8Å²

2AE

2ye6 (CHAIN A)

40.0% EXPOSED

SASA atoms

4 / 10

% buried

60.0%

SASA

24.4Å²

2GA

2ye7 (CHAIN A)

40.0% EXPOSED

SASA atoms

6 / 15

% buried

60.0%

SASA

57.0Å²

BD0

3hek (CHAIN B)

40.0% EXPOSED

SASA atoms

12 / 30

% buried

60.0%

SASA

73.1Å²

37D

3hyy (CHAIN A)

40.0% EXPOSED

SASA atoms

6 / 15

% buried

60.0%

SASA

37.1Å²

37D

3hz1 (CHAIN A)

40.0% EXPOSED

SASA atoms

6 / 15

% buried

60.0%

SASA

40.4Å²

FJ5

4lwh (CHAIN A)

40.0% EXPOSED

SASA atoms

14 / 35

% buried

60.0%

SASA

140.0Å²

GOU

7d1v (CHAIN A)

40.0% EXPOSED

SASA atoms

16 / 40

% buried

60.0%

SASA

99.2Å²

GQ6

7d25 (CHAIN A)

39.5% EXPOSED

SASA atoms

15 / 38

% buried

60.5%

SASA

92.4Å²

E0G

6ltk (CHAIN A)

39.4% EXPOSED

SASA atoms

13 / 33

% buried

60.6%

SASA

77.8Å²

SNX

3d0b (CHAIN A)

39.3% EXPOSED

SASA atoms

11 / 28

% buried

60.7%

SASA

70.3Å²

8CO

5xqe (CHAIN A)

39.3% EXPOSED

SASA atoms

11 / 28

% buried

60.7%

SASA

128.5Å²

8DU

5xrb (CHAIN A)

39.3% EXPOSED

SASA atoms

11 / 28

% buried

60.7%

SASA

108.7Å²

T62

4cwo (CHAIN A)

39.1% EXPOSED

SASA atoms

9 / 23

% buried

60.9%

SASA

45.9Å²

S36

4l93 (CHAIN B)

39.1% EXPOSED

SASA atoms

9 / 23

% buried

60.9%

SASA

106.3Å²

06T

3rkz (CHAIN A)

38.9% EXPOSED

SASA atoms

14 / 36

% buried

61.1%

SASA

135.4Å²

8CU

5xr9 (CHAIN A)

38.5% EXPOSED

SASA atoms

10 / 26

% buried

61.5%

SASA

97.4Å²

2GJ

6lti (CHAIN A)

38.5% EXPOSED

SASA atoms

25 / 65

% buried

61.5%

SASA

136.1Å²

SLS

7h9w (CHAIN A)

38.5% EXPOSED

SASA atoms

5 / 13

% buried

61.5%

SASA

34.3Å²

8CR

5xr5 (CHAIN A)

37.9% EXPOSED

SASA atoms

11 / 29

% buried

62.1%

SASA

115.4Å²

6QM

2yi6 (CHAIN A)

37.5% EXPOSED

SASA atoms

9 / 24

% buried

62.5%

SASA

51.0Å²

PYU

3eko (CHAIN A)

37.5% EXPOSED

SASA atoms

6 / 16

% buried

62.5%

SASA

58.3Å²

2GG

2uwd (CHAIN A)

37.0% EXPOSED

SASA atoms

10 / 27

% buried

63.0%

SASA

75.0Å²

8CF

5xqd (CHAIN A)

37.0% EXPOSED

SASA atoms

10 / 27

% buried

63.0%

SASA

78.2Å²

A56

2qf6 (CHAIN C)

36.8% EXPOSED

SASA atoms

7 / 19

% buried

63.2%

SASA

39.8Å²

AB4

2bz5 (CHAIN A)

36.7% EXPOSED

SASA atoms

11 / 30

% buried

63.3%

SASA

77.9Å²

YKB

2ykb (CHAIN A)

36.7% EXPOSED

SASA atoms

11 / 30

% buried

63.3%

SASA

45.3Å²

05S

3qtf (CHAIN A)

36.7% EXPOSED

SASA atoms

11 / 30

% buried

63.3%

SASA

78.1Å²

RL1

4l8z (CHAIN A)

36.7% EXPOSED

SASA atoms

11 / 30

% buried

63.3%

SASA

89.6Å²

3RQ

3rlq (CHAIN A)

36.4% EXPOSED

SASA atoms

8 / 22

% buried

63.6%

SASA

85.6Å²

3RQ

3rlq (CHAIN B)

36.4% EXPOSED

SASA atoms

8 / 22

% buried

63.6%

SASA

80.8Å²

9TW

7hbl (CHAIN A)

36.4% EXPOSED

SASA atoms

4 / 11

% buried

63.6%

SASA

59.8Å²

MEY

3owd (CHAIN A)

35.3% EXPOSED

SASA atoms

12 / 34

% buried

64.7%

SASA

127.0Å²

FJS

5cf0 (CHAIN A)

35.1% EXPOSED

SASA atoms

13 / 37

% buried

64.9%

SASA

106.4Å²

2EQ

2vcj (CHAIN A)

34.4% EXPOSED

SASA atoms

11 / 32

% buried

65.6%

SASA

109.9Å²

JZC

3inx (CHAIN A)

34.4% EXPOSED

SASA atoms

11 / 32

% buried

65.6%

SASA

63.3Å²

YKE

2yke (CHAIN A)

34.3% EXPOSED

SASA atoms

12 / 35

% buried

65.7%

SASA

63.9Å²

PU1

1uyf (CHAIN A)

33.3% EXPOSED

SASA atoms

10 / 30

% buried

66.7%

SASA

84.1Å²

2D4

2ye9 (CHAIN A)

33.3% EXPOSED

SASA atoms

9 / 27

% buried

66.7%

SASA

62.2Å²

JZB

3inw (CHAIN A)

33.3% EXPOSED

SASA atoms

11 / 33

% buried

66.7%

SASA

64.4Å²

TUH

3tuh (CHAIN A)

33.3% EXPOSED

SASA atoms

9 / 27

% buried

66.7%

SASA

70.0Å²

RL3

4l90 (CHAIN A)

33.3% EXPOSED

SASA atoms

9 / 27

% buried

66.7%

SASA

91.2Å²

73Y

5lrz (CHAIN A)

33.3% EXPOSED

SASA atoms

12 / 36

% buried

66.7%

SASA

68.9Å²

TUH

8w8k (CHAIN B)

33.3% EXPOSED

SASA atoms

9 / 27

% buried

66.7%

SASA

54.1Å²

72K

5lq9 (CHAIN A)

32.4% EXPOSED

SASA atoms

12 / 37

% buried

67.6%

SASA

86.8Å²

YKC

2ykc (CHAIN A)

32.3% EXPOSED

SASA atoms

10 / 31

% buried

67.7%

SASA

47.6Å²

2DD

2byi (CHAIN A)

32.1% EXPOSED

SASA atoms

9 / 28

% buried

67.9%

SASA

52.3Å²

9ZC

5xrd (CHAIN A)

32.1% EXPOSED

SASA atoms

9 / 28

% buried

67.9%

SASA

89.3Å²

06H

3r91 (CHAIN A)

31.2% EXPOSED

SASA atoms

10 / 32

% buried

68.8%

SASA

59.8Å²

PU9

1uye (CHAIN A)

31.0% EXPOSED

SASA atoms

9 / 29

% buried

69.0%

SASA

66.6Å²

JX1

5xre (CHAIN A)

30.6% EXPOSED

SASA atoms

11 / 36

% buried

69.4%

SASA

97.3Å²

3RR

3rlr (CHAIN A)

30.4% EXPOSED

SASA atoms

7 / 23

% buried

69.6%

SASA

75.7Å²

3RR

3rlr (CHAIN B)

30.4% EXPOSED

SASA atoms

7 / 23

% buried

69.6%

SASA

72.3Å²

FJ6

4lwi (CHAIN A)

30.0% EXPOSED

SASA atoms

9 / 30

% buried

70.0%

SASA

91.2Å²

4BC

1yc3 (CHAIN A)

29.6% EXPOSED

SASA atoms

8 / 27

% buried

70.4%

SASA

98.7Å²

BSM

2bsm (CHAIN A)

29.6% EXPOSED

SASA atoms

8 / 27

% buried

70.4%

SASA

66.9Å²

TUH

3tuh (CHAIN B)

29.6% EXPOSED

SASA atoms

8 / 27

% buried

70.4%

SASA

68.8Å²

TUH

6lsz (CHAIN A)

29.6% EXPOSED

SASA atoms

8 / 27

% buried

70.4%

SASA

59.9Å²

TUH

8w8k (CHAIN A)

29.6% EXPOSED

SASA atoms

8 / 27

% buried

70.4%

SASA

70.2Å²

2GJ

2vci (CHAIN A)

29.4% EXPOSED

SASA atoms

10 / 34

% buried

70.6%

SASA

107.3Å²

YKI

2yki (CHAIN A)

29.4% EXPOSED

SASA atoms

10 / 34

% buried

70.6%

SASA

51.1Å²

73J

5lr7 (CHAIN A)

28.6% EXPOSED

SASA atoms

10 / 35

% buried

71.4%

SASA

49.0Å²

YKJ

2ykj (CHAIN A)

28.1% EXPOSED

SASA atoms

9 / 32

% buried

71.9%

SASA

46.3Å²

2E1

2cct (CHAIN A)

28.0% EXPOSED

SASA atoms

7 / 25

% buried

72.0%

SASA

52.1Å²

0TM

4fcr (CHAIN A)

27.6% EXPOSED

SASA atoms

8 / 29

% buried

72.4%

SASA

96.5Å²

2A9

2yea (CHAIN A)

27.3% EXPOSED

SASA atoms

3 / 11

% buried

72.7%

SASA

22.9Å²

BXZ

3bm9 (CHAIN A)

26.3% EXPOSED

SASA atoms

5 / 19

% buried

73.7%

SASA

40.6Å²

YK9

2yk9 (CHAIN A)

26.1% EXPOSED

SASA atoms

6 / 23

% buried

73.9%

SASA

40.8Å²

2N6

4fcq (CHAIN A)

23.8% EXPOSED

SASA atoms

5 / 21

% buried

76.2%

SASA

34.9Å²

FJ3

4lwf (CHAIN A)

23.5% EXPOSED

SASA atoms

4 / 17

% buried

76.5%

SASA

26.6Å²

YJX

2yjx (CHAIN A)

21.7% EXPOSED

SASA atoms

5 / 23

% buried

78.3%

SASA

40.2Å²

CT5

2bt0 (CHAIN B)

19.2% EXPOSED

SASA atoms

5 / 26

% buried

80.8%

SASA

54.3Å²

YJX

2yk2 (CHAIN A)

17.4% EXPOSED

SASA atoms

4 / 23

% buried

82.6%

SASA

21.9Å²

G5E

6hhr (CHAIN A)

14.3% EXPOSED

SASA atoms

3 / 21

% buried

85.7%

SASA

32.3Å²

YJW

2yjw (CHAIN A)

10.0% EXPOSED

SASA atoms

2 / 20

% buried

90.0%

SASA

21.7Å²

A01

7h9k (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A00

7h9l (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A04

7h9m (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A02

7h9n (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A03

7h9o (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A05

7h9q (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A06

7h9s (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A07

7h9t (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A08

7h9y (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A09

7ha1 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A11

7ha2 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A10

7ha3 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A15

7ha4 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A12

7ha5 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A16

7ha6 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A13

7ha7 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A14

7ha8 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A17

7ha9 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A18

7hac (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A19

7had (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A23

7hae (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A21

7haf (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A20

7hag (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A22

7hah (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A27

7hai (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A29

7haj (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A24

7hak (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A25

7hal (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A26

7han (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A28

7hao (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A30

7haq (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A31

7hat (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A32

7hav (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A34

7haw (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A33

7hax (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A38

7hay (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A35

7hb0 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A36

7hb2 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A39

7hb3 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A37

7hb4 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A40

7hb8 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A41

7hb9 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A43

7hba (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A42

7hbb (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A44

7hbc (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A45

7hbd (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A46

7hbe (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A47

7hbf (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A48

7hbg (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A52

7hbh (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A49

7hbk (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A51

7hbm (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A50

7hbn (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A53

7hbo (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A55

7hbp (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A54

7hbq (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A56

7hbr (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A57

7hbs (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A58

7hbt (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A59

7hbv (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A62

7hbw (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A64

7hby (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A63

7hbz (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A60

7hc0 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A61

7hc1 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A65

7hc2 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A66

9auu (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

2D LIGAND MAP

GREEN (15–24 Å²)

YELLOW (24–34 Å²)

RED (≥34 Å²)

Atoms w/ SASA below 15 Å² are not highlighted

Highlighted atoms show linkable attachment sites

CHEMICAL PROPERTIES

QED: —

poor moderate good

Drug-likeness filters

Drug-likeness heuristics (informative, not absolute)