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Checking molecular artifacts

Initializing results command center

Preparing the first usable ligand.

WARHEAD COMMAND CENTER: e8acbf53 · GSK3B

AF3

4nu1 (CHAIN A)

100.0% EXPOSED

SASA atoms

4 / 4

% buried

0.0%

SASA

31.5Å²

AF3

8vmf (CHAIN A)

100.0% EXPOSED

SASA atoms

4 / 4

% buried

0.0%

SASA

64.4Å²

2HT

3f88 (CHAIN A)

88.9% EXPOSED

SASA atoms

8 / 9

% buried

11.1%

SASA

56.3Å²

2HT

3f88 (CHAIN B)

88.9% EXPOSED

SASA atoms

8 / 9

% buried

11.1%

SASA

54.2Å²

3NG

7z1f (CHAIN B)

72.0% EXPOSED

SASA atoms

18 / 25

% buried

28.0%

SASA

148.0Å²

ATU

1q3w (CHAIN B)

68.2% EXPOSED

SASA atoms

15 / 22

% buried

31.8%

SASA

89.8Å²

PG6

9x2v (CHAIN A)

66.7% EXPOSED

SASA atoms

12 / 18

% buried

33.3%

SASA

167.4Å²

ZRM

3zrm (CHAIN B)

65.2% EXPOSED

SASA atoms

15 / 23

% buried

34.8%

SASA

126.0Å²

MRI

6ae3 (CHAIN A)

63.6% EXPOSED

SASA atoms

14 / 22

% buried

36.4%

SASA

83.7Å²

MRI

6ae3 (CHAIN B)

63.6% EXPOSED

SASA atoms

14 / 22

% buried

36.4%

SASA

87.2Å²

CWT

4b7t (CHAIN A)

61.9% EXPOSED

SASA atoms

13 / 21

% buried

38.1%

SASA

108.3Å²

ZRM

3zrm (CHAIN A)

60.9% EXPOSED

SASA atoms

14 / 23

% buried

39.1%

SASA

122.3Å²

L7C

7u2z (CHAIN A)

60.0% EXPOSED

SASA atoms

15 / 25

% buried

40.0%

SASA

140.7Å²

L7W

7u36 (CHAIN B)

60.0% EXPOSED

SASA atoms

15 / 25

% buried

40.0%

SASA

207.7Å²

ATU

1q3w (CHAIN A)

59.1% EXPOSED

SASA atoms

13 / 22

% buried

40.9%

SASA

83.9Å²

L7I

7u31 (CHAIN B)

59.1% EXPOSED

SASA atoms

13 / 22

% buried

40.9%

SASA

81.3Å²

ZRL

3zrl (CHAIN B)

58.8% EXPOSED

SASA atoms

10 / 17

% buried

41.2%

SASA

81.5Å²

G8E

6hk4 (CHAIN B)

58.1% EXPOSED

SASA atoms

18 / 31

% buried

41.9%

SASA

137.7Å²

PRO

9x2q (CHAIN A)

57.4% EXPOSED

SASA atoms

113 / 197

% buried

42.6%

SASA

1602.6Å²

PRO

9x2q (CHAIN C)

56.9% EXPOSED

SASA atoms

112 / 197

% buried

43.1%

SASA

1592.1Å²

3HT

3f88 (CHAIN A)

56.5% EXPOSED

SASA atoms

13 / 23

% buried

43.5%

SASA

65.7Å²

L7I

7u31 (CHAIN A)

54.5% EXPOSED

SASA atoms

12 / 22

% buried

45.5%

SASA

67.7Å²

L7R

7u33 (CHAIN A)

54.2% EXPOSED

SASA atoms

13 / 24

% buried

45.8%

SASA

87.8Å²

G8N

6hk7 (CHAIN A)

53.3% EXPOSED

SASA atoms

16 / 30

% buried

46.7%

SASA

144.9Å²

G8B

6hk3 (CHAIN A)

52.9% EXPOSED

SASA atoms

18 / 34

% buried

47.1%

SASA

191.5Å²

TMU

1q5k (CHAIN B)

52.4% EXPOSED

SASA atoms

11 / 21

% buried

47.6%

SASA

125.4Å²

55E

3q3b (CHAIN A)

52.4% EXPOSED

SASA atoms

11 / 21

% buried

47.6%

SASA

97.5Å²

55E

3q3b (CHAIN B)

52.4% EXPOSED

SASA atoms

11 / 21

% buried

47.6%

SASA

102.5Å²

2WE

4ptc (CHAIN B)

52.4% EXPOSED

SASA atoms

11 / 21

% buried

47.6%

SASA

76.6Å²

34O

3f7z (CHAIN B)

52.0% EXPOSED

SASA atoms

13 / 25

% buried

48.0%

SASA

71.5Å²

L7C

7u2z (CHAIN B)

52.0% EXPOSED

SASA atoms

13 / 25

% buried

48.0%

SASA

180.8Å²

L7W

7u36 (CHAIN A)

52.0% EXPOSED

SASA atoms

13 / 25

% buried

48.0%

SASA

176.4Å²

3NG

7z1g (CHAIN A)

52.0% EXPOSED

SASA atoms

13 / 25

% buried

48.0%

SASA

125.9Å²

N1Q

6tcu (CHAIN A)

51.6% EXPOSED

SASA atoms

16 / 31

% buried

48.4%

SASA

195.2Å²

HBM

2o5k (CHAIN A)

50.0% EXPOSED

SASA atoms

17 / 34

% buried

50.0%

SASA

190.3Å²

553

3du8 (CHAIN B)

50.0% EXPOSED

SASA atoms

10 / 20

% buried

50.0%

SASA

81.2Å²

ZRK

3zrk (CHAIN A)

50.0% EXPOSED

SASA atoms

8 / 16

% buried

50.0%

SASA

58.0Å²

ZRK

3zrk (CHAIN B)

50.0% EXPOSED

SASA atoms

8 / 16

% buried

50.0%

SASA

56.7Å²

1JX

4j71 (CHAIN B)

50.0% EXPOSED

SASA atoms

6 / 12

% buried

50.0%

SASA

51.1Å²

39I

7oy5 (CHAIN A)

50.0% EXPOSED

SASA atoms

13 / 26

% buried

50.0%

SASA

93.3Å²

U3E

8djd (CHAIN B)

48.9% EXPOSED

SASA atoms

22 / 45

% buried

51.1%

SASA

123.1Å²

STU

1q3d (CHAIN A)

48.6% EXPOSED

SASA atoms

17 / 35

% buried

51.4%

SASA

133.6Å²

STU

1q3d (CHAIN B)

48.6% EXPOSED

SASA atoms

17 / 35

% buried

51.4%

SASA

132.1Å²

OH8

6y9r (CHAIN A)

48.5% EXPOSED

SASA atoms

16 / 33

% buried

51.5%

SASA

179.6Å²

7YG

4acc (CHAIN B)

48.4% EXPOSED

SASA atoms

15 / 31

% buried

51.6%

SASA

197.4Å²

3UP

5f95 (CHAIN A)

48.1% EXPOSED

SASA atoms

13 / 27

% buried

51.9%

SASA

77.0Å²

3NG

7z1f (CHAIN A)

48.0% EXPOSED

SASA atoms

12 / 25

% buried

52.0%

SASA

125.4Å²

I5R

4j1r (CHAIN B)

47.6% EXPOSED

SASA atoms

10 / 21

% buried

52.4%

SASA

63.5Å²

2WE

4ptc (CHAIN A)

47.6% EXPOSED

SASA atoms

10 / 21

% buried

52.4%

SASA

105.7Å²

ZRL

3zrl (CHAIN A)

47.1% EXPOSED

SASA atoms

8 / 17

% buried

52.9%

SASA

71.3Å²

G3B

3gb2 (CHAIN A)

45.8% EXPOSED

SASA atoms

11 / 24

% buried

54.2%

SASA

116.5Å²

FKB

6h0u (CHAIN A)

45.8% EXPOSED

SASA atoms

11 / 24

% buried

54.2%

SASA

67.6Å²

ADZ

1o9u (CHAIN A)

45.5% EXPOSED

SASA atoms

5 / 11

% buried

54.5%

SASA

64.1Å²

VNG

8qji (CHAIN A)

45.5% EXPOSED

SASA atoms

10 / 22

% buried

54.5%

SASA

54.6Å²

Z48

3i4b (CHAIN B)

45.2% EXPOSED

SASA atoms

14 / 31

% buried

54.8%

SASA

79.7Å²

KDI

4ach (CHAIN A)

45.2% EXPOSED

SASA atoms

14 / 31

% buried

54.8%

SASA

186.6Å²

KDI

4ach (CHAIN B)

45.2% EXPOSED

SASA atoms

14 / 31

% buried

54.8%

SASA

145.1Å²

O9L

8av1 (CHAIN A)

44.0% EXPOSED

SASA atoms

11 / 25

% buried

56.0%

SASA

79.0Å²

SJJ

4afj (CHAIN A)

43.5% EXPOSED

SASA atoms

10 / 23

% buried

56.5%

SASA

96.0Å²

TMU

1q5k (CHAIN A)

42.9% EXPOSED

SASA atoms

9 / 21

% buried

57.1%

SASA

92.5Å²

I5R

4j1r (CHAIN C)

42.9% EXPOSED

SASA atoms

9 / 21

% buried

57.1%

SASA

70.8Å²

I5R

4j1r (CHAIN D)

42.9% EXPOSED

SASA atoms

9 / 21

% buried

57.1%

SASA

67.4Å²

6VM

5kpm (CHAIN B)

42.9% EXPOSED

SASA atoms

12 / 28

% buried

57.1%

SASA

119.0Å²

6VK

5kpk (CHAIN A)

42.3% EXPOSED

SASA atoms

11 / 26

% buried

57.7%

SASA

86.7Å²

6VK

5kpk (CHAIN B)

42.3% EXPOSED

SASA atoms

11 / 26

% buried

57.7%

SASA

71.4Å²

39I

7oy5 (CHAIN B)

42.3% EXPOSED

SASA atoms

11 / 26

% buried

57.7%

SASA

89.8Å²

U3E

8djd (CHAIN A)

42.2% EXPOSED

SASA atoms

19 / 45

% buried

57.8%

SASA

115.0Å²

Z48

3i4b (CHAIN A)

41.9% EXPOSED

SASA atoms

13 / 31

% buried

58.1%

SASA

82.9Å²

7YG

4acc (CHAIN A)

41.9% EXPOSED

SASA atoms

13 / 31

% buried

58.1%

SASA

195.3Å²

G8E

6hk4 (CHAIN A)

41.9% EXPOSED

SASA atoms

13 / 31

% buried

58.1%

SASA

134.0Å²

1JX

4j71 (CHAIN A)

41.7% EXPOSED

SASA atoms

5 / 12

% buried

58.3%

SASA

48.6Å²

6VL

5kpl (CHAIN A)

41.7% EXPOSED

SASA atoms

10 / 24

% buried

58.3%

SASA

94.4Å²

6VL

5kpl (CHAIN B)

41.7% EXPOSED

SASA atoms

10 / 24

% buried

58.3%

SASA

106.1Å²

QQA

6v6l (CHAIN A)

41.7% EXPOSED

SASA atoms

15 / 36

% buried

58.3%

SASA

115.3Å²

L7R

7u33 (CHAIN B)

41.7% EXPOSED

SASA atoms

10 / 24

% buried

58.3%

SASA

59.5Å²

G8B

6hk3 (CHAIN B)

41.2% EXPOSED

SASA atoms

14 / 34

% buried

58.8%

SASA

180.3Å²

GR9

4acd (CHAIN A)

40.6% EXPOSED

SASA atoms

13 / 32

% buried

59.4%

SASA

152.5Å²

GR9

4acd (CHAIN B)

40.6% EXPOSED

SASA atoms

13 / 32

% buried

59.4%

SASA

140.8Å²

65C

6b8j (CHAIN A)

40.6% EXPOSED

SASA atoms

13 / 32

% buried

59.4%

SASA

111.0Å²

553

3du8 (CHAIN A)

40.0% EXPOSED

SASA atoms

8 / 20

% buried

60.0%

SASA

74.4Å²

65A

5hlp (CHAIN A)

40.0% EXPOSED

SASA atoms

10 / 25

% buried

60.0%

SASA

84.9Å²

65A

5hlp (CHAIN B)

40.0% EXPOSED

SASA atoms

10 / 25

% buried

60.0%

SASA

91.1Å²

6VM

5kpm (CHAIN A)

39.3% EXPOSED

SASA atoms

11 / 28

% buried

60.7%

SASA

117.2Å²

3HT

3f88 (CHAIN B)

39.1% EXPOSED

SASA atoms

9 / 23

% buried

60.9%

SASA

67.0Å²

SJJ

4afj (CHAIN B)

39.1% EXPOSED

SASA atoms

9 / 23

% buried

60.9%

SASA

74.4Å²

3UO

5f94 (CHAIN B)

39.1% EXPOSED

SASA atoms

9 / 23

% buried

60.9%

SASA

55.9Å²

IXM

1q41 (CHAIN B)

38.1% EXPOSED

SASA atoms

8 / 21

% buried

61.9%

SASA

53.8Å²

I5R

4j1r (CHAIN A)

38.1% EXPOSED

SASA atoms

8 / 21

% buried

61.9%

SASA

70.8Å²

6VL

5t31 (CHAIN A)

37.5% EXPOSED

SASA atoms

9 / 24

% buried

62.5%

SASA

95.8Å²

6VL

5t31 (CHAIN B)

37.5% EXPOSED

SASA atoms

9 / 24

% buried

62.5%

SASA

97.9Å²

FKB

6h0u (CHAIN B)

37.5% EXPOSED

SASA atoms

9 / 24

% buried

62.5%

SASA

54.6Å²

6VL

7sxj (CHAIN A)

37.5% EXPOSED

SASA atoms

9 / 24

% buried

62.5%

SASA

105.2Å²

3UP

5f95 (CHAIN B)

37.0% EXPOSED

SASA atoms

10 / 27

% buried

63.0%

SASA

69.8Å²

6LQ

4acg (CHAIN A)

36.8% EXPOSED

SASA atoms

14 / 38

% buried

63.2%

SASA

156.4Å²

2WF

4pte (CHAIN A)

36.4% EXPOSED

SASA atoms

8 / 22

% buried

63.6%

SASA

70.0Å²

679

1q4l (CHAIN A)

36.0% EXPOSED

SASA atoms

9 / 25

% buried

64.0%

SASA

53.7Å²

6QH

5k5n (CHAIN A)

36.0% EXPOSED

SASA atoms

9 / 25

% buried

64.0%

SASA

78.1Å²

O9C

8auz (CHAIN A)

36.0% EXPOSED

SASA atoms

9 / 25

% buried

64.0%

SASA

73.8Å²

O9L

8av1 (CHAIN B)

36.0% EXPOSED

SASA atoms

9 / 25

% buried

64.0%

SASA

74.4Å²

F1B

6gjo (CHAIN B)

35.7% EXPOSED

SASA atoms

10 / 28

% buried

64.3%

SASA

100.0Å²

0KD

4dit (CHAIN A)

34.8% EXPOSED

SASA atoms

8 / 23

% buried

65.2%

SASA

85.2Å²

2WG

4ptg (CHAIN A)

34.8% EXPOSED

SASA atoms

8 / 23

% buried

65.2%

SASA

57.9Å²

2WG

4ptg (CHAIN B)

34.8% EXPOSED

SASA atoms

8 / 23

% buried

65.2%

SASA

60.2Å²

3UO

5f94 (CHAIN A)

34.8% EXPOSED

SASA atoms

8 / 23

% buried

65.2%

SASA

65.2Å²

OFT

3say (CHAIN B)

34.5% EXPOSED

SASA atoms

10 / 29

% buried

65.5%

SASA

67.3Å²

OHK

6y9s (CHAIN B)

34.5% EXPOSED

SASA atoms

10 / 29

% buried

65.5%

SASA

90.1Å²

65C

5hln (CHAIN A)

34.4% EXPOSED

SASA atoms

11 / 32

% buried

65.6%

SASA

106.2Å²

65C

5hln (CHAIN B)

34.4% EXPOSED

SASA atoms

11 / 32

% buried

65.6%

SASA

85.2Å²

6LQ

4acg (CHAIN B)

34.2% EXPOSED

SASA atoms

13 / 38

% buried

65.8%

SASA

137.7Å²

IXM

1q41 (CHAIN A)

33.3% EXPOSED

SASA atoms

7 / 21

% buried

66.7%

SASA

55.0Å²

TSK

3sd0 (CHAIN B)

33.3% EXPOSED

SASA atoms

10 / 30

% buried

66.7%

SASA

119.9Å²

AG1

2jld (CHAIN B)

32.5% EXPOSED

SASA atoms

13 / 40

% buried

67.5%

SASA

104.4Å²

D1E

7sxh (CHAIN A)

32.4% EXPOSED

SASA atoms

11 / 34

% buried

67.6%

SASA

96.8Å²

F1B

6gjo (CHAIN A)

32.1% EXPOSED

SASA atoms

9 / 28

% buried

67.9%

SASA

81.8Å²

679

1q4l (CHAIN B)

32.0% EXPOSED

SASA atoms

8 / 25

% buried

68.0%

SASA

49.9Å²

34O

3f7z (CHAIN A)

32.0% EXPOSED

SASA atoms

8 / 25

% buried

68.0%

SASA

42.9Å²

6QH

5k5n (CHAIN B)

32.0% EXPOSED

SASA atoms

8 / 25

% buried

68.0%

SASA

91.9Å²

O9C

8auz (CHAIN B)

32.0% EXPOSED

SASA atoms

8 / 25

% buried

68.0%

SASA

81.2Å²

BRW

1uv5 (CHAIN A)

31.8% EXPOSED

SASA atoms

7 / 22

% buried

68.2%

SASA

54.2Å²

UGJ

3zdi (CHAIN A)

31.8% EXPOSED

SASA atoms

7 / 22

% buried

68.2%

SASA

71.3Å²

2WF

4pte (CHAIN B)

31.8% EXPOSED

SASA atoms

7 / 22

% buried

68.2%

SASA

72.0Å²

BIM

2ow3 (CHAIN A)

31.7% EXPOSED

SASA atoms

13 / 41

% buried

68.3%

SASA

115.9Å²

OFT

3say (CHAIN A)

31.0% EXPOSED

SASA atoms

9 / 29

% buried

69.0%

SASA

54.9Å²

SZW

7b6f (CHAIN A)

30.8% EXPOSED

SASA atoms

8 / 26

% buried

69.2%

SASA

46.8Å²

U6S

8dje (CHAIN B)

30.6% EXPOSED

SASA atoms

15 / 49

% buried

69.4%

SASA

63.4Å²

DFN

1r0e (CHAIN A)

30.0% EXPOSED

SASA atoms

9 / 30

% buried

70.0%

SASA

70.1Å²

DFN

1r0e (CHAIN B)

30.0% EXPOSED

SASA atoms

9 / 30

% buried

70.0%

SASA

63.3Å²

AG1

2jld (CHAIN A)

30.0% EXPOSED

SASA atoms

12 / 40

% buried

70.0%

SASA

100.9Å²

TSK

3sd0 (CHAIN A)

30.0% EXPOSED

SASA atoms

9 / 30

% buried

70.0%

SASA

112.7Å²

BIM

2ow3 (CHAIN B)

29.3% EXPOSED

SASA atoms

12 / 41

% buried

70.7%

SASA

136.1Å²

B4K

5oy4 (CHAIN A)

28.6% EXPOSED

SASA atoms

6 / 21

% buried

71.4%

SASA

37.4Å²

Z92

3l1s (CHAIN A)

28.0% EXPOSED

SASA atoms

7 / 25

% buried

72.0%

SASA

56.2Å²

Z92

3l1s (CHAIN B)

28.0% EXPOSED

SASA atoms

7 / 25

% buried

72.0%

SASA

59.2Å²

OHK

6y9s (CHAIN A)

27.6% EXPOSED

SASA atoms

8 / 29

% buried

72.4%

SASA

71.9Å²

IQ6

4iq6 (CHAIN A)

26.1% EXPOSED

SASA atoms

6 / 23

% buried

73.9%

SASA

76.1Å²

IQ6

4iq6 (CHAIN B)

26.1% EXPOSED

SASA atoms

6 / 23

% buried

73.9%

SASA

73.7Å²

XV0

8ff8 (CHAIN A)

26.1% EXPOSED

SASA atoms

12 / 46

% buried

73.9%

SASA

73.7Å²

XV0

8ff8 (CHAIN B)

26.1% EXPOSED

SASA atoms

12 / 46

% buried

73.9%

SASA

76.4Å²

F4N

6gn1 (CHAIN B)

25.9% EXPOSED

SASA atoms

7 / 27

% buried

74.1%

SASA

59.0Å²

UAU

8djc (CHAIN A)

24.5% EXPOSED

SASA atoms

13 / 53

% buried

75.5%

SASA

70.7Å²

B4K

5oy4 (CHAIN B)

23.8% EXPOSED

SASA atoms

5 / 21

% buried

76.2%

SASA

51.1Å²

UAU

8djc (CHAIN B)

22.6% EXPOSED

SASA atoms

12 / 53

% buried

77.4%

SASA

72.4Å²

U6S

8dje (CHAIN A)

20.4% EXPOSED

SASA atoms

10 / 49

% buried

79.6%

SASA

38.7Å²

F4N

6gn1 (CHAIN A)

18.5% EXPOSED

SASA atoms

5 / 27

% buried

81.5%

SASA

49.7Å²

DW1

3m1s (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

DW1

3m1s (CHAIN B)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

OS1

3pup (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

OS1

3pup (CHAIN B)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

YT3

7z1f (CHAIN A)

0.0% EXPOSED

SASA atoms

12 / 25

% buried

100.0%

SASA

125.4Å²

YT3

7z1f (CHAIN B)

0.0% EXPOSED

SASA atoms

18 / 25

% buried

100.0%

SASA

148.0Å²

A01

9fr5 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A01

9fr5 (CHAIN B)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A00

9fr6 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A00

9fr6 (CHAIN B)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A08

9fr7 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A08

9fr7 (CHAIN B)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A04

9fr8 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A04

9fr8 (CHAIN B)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A06

9fr9 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A06

9fr9 (CHAIN B)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A02

9huk (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A02

9huk (CHAIN B)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A05

9hul (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A05

9hul (CHAIN B)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A03

9hv3 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A03

9hv3 (CHAIN B)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A07

9pe9 (CHAIN A)

0.0% EXPOSED

SASA atoms

0 / 0

% buried

100.0%

SASA

0.0Å²

A07

9pe9 (CHAIN B)

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)