Target Pathogen

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Pockets High Medium Low

Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #1

0.934

Likely same site as P2Rank 1 3.3 Å 21 shared residues 100% of smaller site

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Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1

0.931

Likely same site as FPocket 1 3.3 Å 21 shared residues 100% of smaller site

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Site 2 P2Rank #2

0.113

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Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #2

0.972

Likely same site as P2Rank 2 1.5 Å 15 shared residues 79% of smaller site

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Site 2 FPocket #1

0.935

Likely same site as P2Rank 1 3.1 Å 20 shared residues 77% of smaller site

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Site 3 FPocket #26

0.493

Likely same site as P2Rank 3 3.6 Å 29 shared residues 91% of smaller site

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Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1

0.988

Likely same site as FPocket 1 3.1 Å 20 shared residues 77% of smaller site

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Site 2 P2Rank #2

0.988

Likely same site as FPocket 2 1.5 Å 15 shared residues 79% of smaller site

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Site 3 P2Rank #3

0.943

Likely same site as FPocket 26 3.6 Å 29 shared residues 91% of smaller site

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Site 4 P2Rank #4

0.091

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Site 5 P2Rank #5

0.06

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Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #1

0.991

Likely same site as P2Rank 1 1.4 Å 15 shared residues 75% of smaller site

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Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1

0.988

Likely same site as FPocket 1 1.4 Å 15 shared residues 75% of smaller site

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Site 2 P2Rank #2

0.016

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Site 3 P2Rank #3

0.003

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Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #11

0.955

Likely same site as P2Rank 3 3.0 Å 29 shared residues 94% of smaller site

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Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1

0.981

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Site 2 P2Rank #2

0.97

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Site 3 P2Rank #3

0.935

Likely same site as FPocket 11 3.0 Å 29 shared residues 94% of smaller site

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Site 4 P2Rank #4

0.16

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Site 5 P2Rank #5

0.12

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Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #1

0.904

Likely same site as P2Rank 3 1.9 Å 28 shared residues 100% of smaller site

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Site 2 FPocket #8

0.225

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Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1

0.972

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Site 2 P2Rank #2

0.966

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Site 3 P2Rank #3

0.892

Likely same site as FPocket 1 1.9 Å 28 shared residues 100% of smaller site

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Site 4 P2Rank #4

0.048

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Site 5 P2Rank #5

0.003

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Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #32

0.563

Likely same site as P2Rank 3 3.2 Å 29 shared residues 91% of smaller site

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Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1

0.985

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Site 2 P2Rank #2

0.983

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Site 3 P2Rank #3

0.947

Likely same site as FPocket 32 3.2 Å 29 shared residues 91% of smaller site

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Site 4 P2Rank #4

0.061

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Site 5 P2Rank #5

0.058

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Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #2

0.94

Likely same site as P2Rank 3 2.7 Å 29 shared residues 94% of smaller site

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Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1

0.98

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Site 2 P2Rank #2

0.963

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Site 3 P2Rank #3

0.935

Likely same site as FPocket 2 2.7 Å 29 shared residues 94% of smaller site

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Site 4 P2Rank #4

0.092

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Site 5 P2Rank #5

0.078

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Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #19

0.345

Likely same site as P2Rank 3 3.6 Å 30 shared residues 91% of smaller site

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Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1

0.983

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Site 2 P2Rank #2

0.976

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Site 3 P2Rank #3

0.956

Likely same site as FPocket 19 3.6 Å 30 shared residues 91% of smaller site

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Site 4 P2Rank #4

0.319

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Site 5 P2Rank #5

0.211

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Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #6

0.682

Likely same site as P2Rank 3 4.4 Å 29 shared residues 91% of smaller site

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Site 2 FPocket #17

0.324

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Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1

0.984

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Site 2 P2Rank #2

0.972

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Site 3 P2Rank #3

0.959

Likely same site as FPocket 6 4.4 Å 29 shared residues 91% of smaller site

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Site 4 P2Rank #4

0.273

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Site 5 P2Rank #5

0.229

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Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #8

0.653

Likely same site as P2Rank 3 4.3 Å 29 shared residues 88% of smaller site

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Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1

0.984

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Site 2 P2Rank #2

0.97

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Site 3 P2Rank #3

0.963

Likely same site as FPocket 8 4.3 Å 29 shared residues 88% of smaller site

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Site 4 P2Rank #4

0.249

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Site 5 P2Rank #5

0.217

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Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #9

0.597

Likely same site as P2Rank 3 4.1 Å 29 shared residues 88% of smaller site

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Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1

0.983

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Site 2 P2Rank #2

0.977

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Site 3 P2Rank #3

0.958

Likely same site as FPocket 9 4.1 Å 29 shared residues 88% of smaller site

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Site 4 P2Rank #4

0.31

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Site 5 P2Rank #5

0.22

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Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #9

0.412

Likely same site as P2Rank 3 3.8 Å 29 shared residues 91% of smaller site

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Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1

0.985

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Site 2 P2Rank #2

0.977

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Site 3 P2Rank #3

0.958

Likely same site as FPocket 9 3.8 Å 29 shared residues 91% of smaller site

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Site 4 P2Rank #4

0.296

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Site 5 P2Rank #5

0.221

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Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #2

0.968

Likely same site as P2Rank 3 2.5 Å 28 shared residues 97% of smaller site

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Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1

0.984

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Site 2 P2Rank #2

0.973

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Site 3 P2Rank #3

0.953

Likely same site as FPocket 2 2.5 Å 28 shared residues 97% of smaller site

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Site 4 P2Rank #4

0.21

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Site 5 P2Rank #5

0.195

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Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #5

0.78

Likely same site as P2Rank 3 4.4 Å 29 shared residues 85% of smaller site

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Site 2 FPocket #6

0.275

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Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1

0.983

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Site 2 P2Rank #2

0.976

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Site 3 P2Rank #3

0.961

Likely same site as FPocket 5 4.4 Å 29 shared residues 85% of smaller site

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Site 4 P2Rank #4

0.259

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Site 5 P2Rank #5

0.192

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