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 #3

0.828

Likely same site as P2Rank 5 6.6 Å 4 shared residues 80% 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

0.991

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Site 2 P2Rank #2

0.042

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Site 3 P2Rank #3

0.008

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Site 4 P2Rank #4

0.006

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Site 5 P2Rank #5

0.005

Likely same site as FPocket 3 6.6 Å 4 shared residues 80% of smaller site

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Residue sets

UniProt: Binding site:14-14

UniProt: Binding site:151-151

UniProt: Binding site:156-156

UniProt: Binding site:160-160

UniProt: Binding site:185-185

UniProt: Binding site:219-219

UniProt: Binding site:270-270

UniProt: Binding site:280-280

UniProt: Binding site:314-314

UniProt: Binding site:33-34

UniProt: Binding site:343-343

UniProt: Binding site:349-349

UniProt: Binding site:350-355

UniProt: Binding site:41-41

UniProt: Binding site:60-61

UniProt: Binding site:84-84

Binding pockets · FPocket

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

Site 1 FPocket #6

0.325

Likely same site as P2Rank 2 2.0 Å 11 shared residues 100% of smaller site

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Site 2 FPocket #16

0.204

Likely same site as P2Rank 4 1.5 Å 4 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

0.946

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Site 2 P2Rank #2

0.357

Likely same site as FPocket 6 2.0 Å 11 shared residues 100% of smaller site

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Site 3 P2Rank #3

0.033

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Site 4 P2Rank #4

0.032

Likely same site as FPocket 16 1.5 Å 4 shared residues 100% of smaller site

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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 #7

0.416

Likely same site as P2Rank 2 4.3 Å 10 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

0.952

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Site 2 P2Rank #2

0.497

Likely same site as FPocket 7 4.3 Å 10 shared residues 91% of smaller site

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Site 3 P2Rank #3

0.009

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Site 4 P2Rank #4

0.001

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Binding pockets · FPocket

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

Site 1 FPocket #3

0.366

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.961

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Site 2 P2Rank #2

0.19

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Site 3 P2Rank #3

0.017

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Site 4 P2Rank #4

0.0

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Binding pockets · FPocket

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

Site 1 FPocket #1

0.562

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Site 2 FPocket #18

0.243

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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

0.967

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Site 3 P2Rank #3

0.29

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Site 4 P2Rank #4

0.172

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Site 5 P2Rank #5

0.165

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Binding pockets · FPocket

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

Site 1 FPocket #1

0.99

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Site 2 FPocket #9

0.556

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Site 3 FPocket #37

0.326

Likely same site as P2Rank 3 1.3 Å 25 shared residues 96% of smaller site

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Site 4 FPocket #47

0.231

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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

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Site 2 P2Rank #2

0.988

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Site 3 P2Rank #3

0.604

Likely same site as FPocket 37 1.3 Å 25 shared residues 96% of smaller site

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Site 4 P2Rank #4

0.356

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Site 5 P2Rank #5

0.242

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Binding pockets · FPocket

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

Site 1 FPocket #4

0.902

Likely same site as P2Rank 4 5.0 Å 6 shared residues 100% of smaller site

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Site 2 FPocket #1

0.472

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

0.988

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Site 2 P2Rank #2

0.072

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Site 3 P2Rank #3

0.003

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Site 4 P2Rank #4

0.002

Likely same site as FPocket 4 5.0 Å 6 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

0.988

Likely same site as P2Rank 1 0.4 Å 50 shared residues 94% of smaller site

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Site 2 FPocket #40

0.965

Likely same site as P2Rank 4 6.8 Å 15 shared residues 83% of smaller site

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Site 3 FPocket #2

0.6

Likely same site as P2Rank 2 4.3 Å 44 shared residues 80% 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 0.4 Å 50 shared residues 94% of smaller site

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Site 2 P2Rank #2

0.985

Likely same site as FPocket 2 4.3 Å 44 shared residues 80% of smaller site

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Site 3 P2Rank #3

0.415

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Site 4 P2Rank #4

0.372

Likely same site as FPocket 40 6.8 Å 15 shared residues 83% of smaller site

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Site 5 P2Rank #5

0.255

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Binding pockets · FPocket

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

Site 1 FPocket #2

0.883

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Site 2 FPocket #10

0.482

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Binding pockets · P2Rank

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

Site 1 P2Rank #1

0.986

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Site 2 P2Rank #2

0.979

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Site 3 P2Rank #3

0.578

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Site 4 P2Rank #4

0.426

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Site 5 P2Rank #5

0.271

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