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 #21

0.499

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Surrounding area

Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.564

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Surrounding area

Site 2 P2Rank #2

0.203

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Site 3 P2Rank #3

0.099

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Site 4 P2Rank #4

0.09

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Site 5 P2Rank #5

0.046

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Binding pockets · FPocket

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

Site 1 FPocket #1

0.971

Likely same site as P2Rank 2 6.3 Å 17 shared residues 85% of smaller site

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Site 2 FPocket #2

0.906

Likely same site as P2Rank 1 6.7 Å 18 shared residues 95% of smaller site

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Site 3 FPocket #5

0.663

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Site 4 FPocket #11

0.496

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.968

Likely same site as FPocket 2 6.7 Å 18 shared residues 95% of smaller site

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Site 2 P2Rank #2

0.968

Likely same site as FPocket 1 6.3 Å 17 shared residues 85% of smaller site

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Site 3 P2Rank #3

0.761

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Site 4 P2Rank #4

0.738

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Site 5 P2Rank #5

0.517

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Binding pockets · FPocket

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

Site 1 FPocket #15

0.699

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Surrounding area

Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.722

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Site 2 P2Rank #2

0.389

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Site 3 P2Rank #3

0.168

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Site 4 P2Rank #4

0.16

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Site 5 P2Rank #5

0.102

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Binding pockets · FPocket

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

Site 1 FPocket #1

0.597

Likely same site as P2Rank 3 4.9 Å 14 shared residues 100% of smaller site

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Site 2 FPocket #6

0.515

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Site 3 FPocket #112

0.278

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Site 4 FPocket #65

0.229

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.932

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Site 2 P2Rank #2

0.758

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Site 3 P2Rank #3

0.705

Likely same site as FPocket 1 4.9 Å 14 shared residues 100% of smaller site

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Site 4 P2Rank #4

0.679

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Site 5 P2Rank #5

0.63

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