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 #2

0.213

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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

0.191

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Surrounding area

Site 2 P2Rank #2

0.101

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Surrounding area

Binding pockets · FPocket

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

Site 1 FPocket #1

0.78

Likely same site as P2Rank 1 6.2 Å 10 shared residues 67% of smaller site

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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

0.635

Likely same site as FPocket 1 6.2 Å 10 shared residues 67% of smaller site

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Surrounding area

Binding pockets · FPocket

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

Site 1 FPocket #1

0.903

Likely same site as P2Rank 2 2.9 Å 8 shared residues 100% of smaller site

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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

0.678

Likely same site as FPocket 1 4.7 Å 10 shared residues 67% of smaller site

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Surrounding area

Site 2 P2Rank #2

0.073

Likely same site as FPocket 1 2.9 Å 8 shared residues 100% of smaller site

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Surrounding area

Binding pockets · FPocket

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

Site 1 FPocket #1

0.974

Likely same site as P2Rank 2 2.7 Å 6 shared residues 100% of smaller site

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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

0.616

Likely same site as FPocket 1 5.6 Å 14 shared residues 74% of smaller site

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Surrounding area

Site 2 P2Rank #2

0.003

Likely same site as FPocket 1 2.7 Å 6 shared residues 100% of smaller site

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Surrounding area

Binding pockets · FPocket

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

Site 1 FPocket #1

0.974

Unusual size

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Surrounding area

Binding pockets · FPocket

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

Site 1 FPocket #1

0.965

Likely same site as P2Rank 1 3.7 Å 20 shared residues 100% of smaller site

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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

0.75

Likely same site as FPocket 1 3.7 Å 20 shared residues 100% of smaller site

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Surrounding area