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 #18

0.508

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Site 2 FPocket #11

0.237

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Site 3 FPocket #9

0.227

Likely same site as P2Rank 2 3.5 Å 20 shared residues 100% 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

0.392

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Surrounding area

Site 2 P2Rank #2

0.381

Likely same site as FPocket 9 3.5 Å 20 shared residues 100% of smaller site

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Site 3 P2Rank #3

0.223

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Site 4 P2Rank #4

0.05

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Site 5 P2Rank #5

0.048

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Surrounding area

Residue sets

UniProt: Binding site:159-159

UniProt: Binding site:263-284

UniProt: Binding site:304-323

UniProt: Binding site:447-447

Binding pockets · FPocket

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

Site 1 FPocket #4

0.953

Likely same site as P2Rank 1 4.8 Å 18 shared residues 95% of smaller site

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Surrounding area

Site 2 FPocket #5

0.928

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Site 3 FPocket #1

0.57

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Surrounding area

Site 4 FPocket #8

0.335

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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

0.575

Likely same site as FPocket 4 4.8 Å 18 shared residues 95% of smaller site

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Site 2 P2Rank #2

0.563

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Site 3 P2Rank #3

0.515

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Site 4 P2Rank #4

0.504

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Site 5 P2Rank #5

0.45

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Surrounding area

Binding pockets · FPocket

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

Site 1 FPocket #3

0.958

Unusual size

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Surrounding area

Site 2 FPocket #1

0.63

Unusual size

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Surrounding area

Site 3 FPocket #6

0.425

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Surrounding area

Site 4 FPocket #2

0.283

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Surrounding area

Binding pockets · FPocket

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

Site 1 FPocket #18

0.62

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Site 2 FPocket #11

0.401

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Site 3 FPocket #2

0.399

Likely same site as P2Rank 1 1.0 Å 17 shared residues 94% of smaller site

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Site 4 FPocket #5

0.345

Likely same site as P2Rank 4 3.7 Å 13 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

0.534

Likely same site as FPocket 2 1.0 Å 17 shared residues 94% of smaller site

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Site 2 P2Rank #2

0.477

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Site 3 P2Rank #3

0.467

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Surrounding area

Site 4 P2Rank #4

0.457

Likely same site as FPocket 5 3.7 Å 13 shared residues 100% of smaller site

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Surrounding area

Site 5 P2Rank #5

0.258

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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

0.534

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Surrounding area

Site 2 P2Rank #2

0.457

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Site 3 P2Rank #3

0.173

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Surrounding area

Site 4 P2Rank #4

0.141

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Surrounding area

Site 5 P2Rank #5

0.1

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Binding pockets · FPocket

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

Site 1 FPocket #2

0.925

Likely same site as P2Rank 2 3.7 Å 27 shared residues 100% of smaller site

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Site 2 FPocket #4

0.829

Likely same site as P2Rank 4 5.5 Å 29 shared residues 97% of smaller site

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Site 3 FPocket #145

0.821

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Site 4 FPocket #5

0.6

Likely same site as P2Rank 1 1.3 Å 29 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

0.878

Likely same site as FPocket 5 1.3 Å 29 shared residues 100% of smaller site

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Site 2 P2Rank #2

0.855

Likely same site as FPocket 2 3.7 Å 27 shared residues 100% of smaller site

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Site 3 P2Rank #3

0.85

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Site 4 P2Rank #4

0.776

Likely same site as FPocket 4 5.5 Å 29 shared residues 97% of smaller site

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Site 5 P2Rank #5

0.538

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Surrounding area

Binding pockets · FPocket

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

Site 1 FPocket #2

0.693

Likely same site as P2Rank 2 1.1 Å 17 shared residues 100% of smaller site

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Site 2 FPocket #19

0.581

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Site 3 FPocket #1

0.487

Likely same site as P2Rank 1 1.0 Å 18 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

0.444

Likely same site as FPocket 1 1.0 Å 18 shared residues 100% of smaller site

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Surrounding area

Site 2 P2Rank #2

0.444

Likely same site as FPocket 2 1.1 Å 17 shared residues 100% of smaller site

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Site 3 P2Rank #3

0.1

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Site 4 P2Rank #4

0.094

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Site 5 P2Rank #5

0.093

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Binding pockets · FPocket

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

Site 1 FPocket #66

0.848

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Site 2 FPocket #1

0.843

Likely same site as P2Rank 1 0.7 Å 20 shared residues 100% of smaller site

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Site 3 FPocket #2

0.508

Likely same site as P2Rank 3 3.7 Å 16 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

0.583

Likely same site as FPocket 1 0.7 Å 20 shared residues 100% of smaller site

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Site 2 P2Rank #2

0.3

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Site 3 P2Rank #3

0.295

Likely same site as FPocket 2 3.7 Å 16 shared residues 94% of smaller site

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Site 4 P2Rank #4

0.209

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Site 5 P2Rank #5

0.118

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Binding pockets · FPocket

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

Site 1 FPocket #2

0.939

Likely same site as P2Rank 1 2.4 Å 18 shared residues 100% of smaller site

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Surrounding area

Site 2 FPocket #1

0.851

Likely same site as P2Rank 2 1.2 Å 17 shared residues 100% of smaller site

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Site 3 FPocket #67

0.309

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.449

Likely same site as FPocket 2 2.4 Å 18 shared residues 100% of smaller site

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Site 2 P2Rank #2

0.363

Likely same site as FPocket 1 1.2 Å 17 shared residues 100% of smaller site

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Site 3 P2Rank #3

0.159

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Site 4 P2Rank #4

0.128

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Site 5 P2Rank #5

0.06

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