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 #20

0.798

Likely same site as P2Rank 1 3.2 Å 24 shared residues 86% of smaller site

Unusual size

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.811

Likely same site as FPocket 20 3.2 Å 24 shared residues 86% of smaller site

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Site 2 P2Rank #2

0.737

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Site 3 P2Rank #3

0.351

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Site 4 P2Rank #4

0.004

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Binding pockets · FPocket

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

Site 1 FPocket #20

0.463

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Site 2 FPocket #6

0.27

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.497

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Site 2 P2Rank #2

0.448

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Site 3 P2Rank #3

0.094

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Site 4 P2Rank #4

0.026

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Site 5 P2Rank #5

0.019

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Binding pockets · FPocket

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

Site 1 FPocket #22

0.358

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Site 2 FPocket #9

0.293

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.555

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Site 2 P2Rank #2

0.432

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Site 3 P2Rank #3

0.287

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Site 4 P2Rank #4

0.256

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Site 5 P2Rank #5

0.047

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Binding pockets · FPocket

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

Site 1 FPocket #3

0.635

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Site 2 FPocket #20

0.49

Likely same site as P2Rank 5 2.7 Å 11 shared residues 100% of smaller site

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Site 3 FPocket #6

0.206

Likely same site as P2Rank 3 3.5 Å 15 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

0.596

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Site 2 P2Rank #2

0.411

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Site 3 P2Rank #3

0.293

Likely same site as FPocket 6 3.5 Å 15 shared residues 94% of smaller site

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Site 4 P2Rank #4

0.036

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Site 5 P2Rank #5

0.024

Likely same site as FPocket 20 2.7 Å 11 shared residues 100% of smaller site

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Binding pockets · FPocket

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

Site 1 FPocket #2

0.807

Likely same site as P2Rank 4 2.8 Å 17 shared residues 100% of smaller site

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Site 2 FPocket #6

0.419

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Site 3 FPocket #23

0.297

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.57

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Site 2 P2Rank #2

0.42

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Site 3 P2Rank #3

0.385

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Site 4 P2Rank #4

0.092

Likely same site as FPocket 2 2.8 Å 17 shared residues 100% of smaller site

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Binding pockets · FPocket

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

Site 1 FPocket #1

0.951

Likely same site as P2Rank 4 2.2 Å 11 shared residues 100% of smaller site

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Site 2 FPocket #4

0.358

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.674

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Site 2 P2Rank #2

0.414

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Site 3 P2Rank #3

0.256

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Site 4 P2Rank #4

0.134

Likely same site as FPocket 1 2.2 Å 11 shared residues 100% of smaller site

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Site 5 P2Rank #5

0.041

Likely same site as FPocket 1 7.9 Å 3 shared residues 60% of smaller site

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Binding pockets · FPocket

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

Site 1 FPocket #1

0.951

Likely same site as P2Rank 4 2.2 Å 11 shared residues 100% of smaller site

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Site 2 FPocket #4

0.358

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.674

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Site 2 P2Rank #2

0.414

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Site 3 P2Rank #3

0.256

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Site 4 P2Rank #4

0.134

Likely same site as FPocket 1 2.2 Å 11 shared residues 100% of smaller site

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Site 5 P2Rank #5

0.041

Likely same site as FPocket 1 7.9 Å 3 shared residues 60% of smaller site

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