PDBsum entry 3itj

Pore analysis for: 3itj calculated with

MOLE 2.0

PDB id

3itj

Pores calculated on whole structure

Pores calculated excluding ligands

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without HETATM:

5 pores, coloured by radius

16 pores, coloured by radius

16 pores, coloured as in
list below

Pores are connected internal spaces going through the structure. Only pores longer than 25 Å are shown.

Pores

Free R

Length

HPathy

HPhob

Polar

Rel Mut

Residue..type

Ligands

Radius

1

1.68

1.82

28.0

-1.11

-0.27

13.6

88

2

1

4

4

1

1

1

FAD 402 C

2

1.54

1.76

31.5

-0.48

-0.20

11.9

83

2

3

2

6

1

0

2

FAD 401 B

3

1.62

2.20

31.6

-2.47

-0.76

34.0

85

3

4

2

1

0

0

0

4

1.52

1.73

32.9

-0.36

-0.14

16.3

86

2

5

4

7

0

0

2

FAD 401 B

5

2.09

2.52

35.3

-1.82

-0.55

24.6

85

3

3

2

3

0

1

0

6

1.69

2.39

37.8

-0.74

-0.08

16.3

79

4

2

1

4

3

0

1

FAD 400 A

7

2.44

2.44

39.2

-1.61

-0.28

26.3

80

4

2

1

1

1

1

0

8

2.08

2.11

41.0

-1.09

-0.45

15.3

83

3

3

5

4

1

0

2

FAD 402 C CIT 505 C

9

1.55

1.74

44.3

-0.65

-0.21

18.3

82

4

5

5

7

1

0

2

FAD 401 B

10

2.43

2.43

49.2

-1.65

-0.43

20.6

82

6

1

2

2

2

1

0

CIT 503 C CIT 505 C

11

3.06

3.27

56.5

-2.00

-0.31

28.3

80

10

3

4

3

2

1

0

CIT 502 B CIT 506 B

12

1.72

1.75

57.1

-1.11

-0.35

16.4

88

4

3

4

4

1

0

1

FAD 402 C

13

2.10

2.09

70.6

-2.21

-0.50

25.7

85

9

4

7

3

2

0

0

CIT 502 B CIT 506 B

14

1.38

1.39

103.2

-0.53

-0.05

13.8

79

5

4

3

7

1

3

2

FAD 400 A

15

1.51

1.86

120.2

-0.75

-0.17

14.0

85

5

4

7

8

2

3

1

FAD 402 C

16

1.37

1.37

122.6

-0.76

-0.14

15.1

80

6

6

3

7

1

2

2

FAD 400 A

Residue-type_colouring

Positive	Negative	Neutral	Aliphatic	Aromatic	Pro & Gly	Cysteine
H,K,R	D,E	S,T,N,Q	A,V,L,I,M	F,Y,W	P,G	C

Acknowledgement

Pores were calculated by

MOLE 2.0 program version 2.5.13.11.08 and visualized using Pymol 0.97rc.