PDBsum entry 6pp2

Pore analysis for: 6pp2 calculated with

MOLE 2.0

PDB id

6pp2

Pores calculated on whole structure

Pores calculated excluding ligands

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MOLEonline 2.0 manipulation
and
visualization
with HETATM:

without HETATM:

8 pores, coloured by radius

20 pores, coloured by radius

20 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

2.12

2.12

38.7

-0.11

0.20

9.2

77

2

3

5

6

5

0

1

HEM 501 C OUM 503 C

2

1.99

2.05

44.4

-0.39

0.15

11.2

72

3

3

5

4

7

1

1

HEM 501 D OUM 503 D

3

1.34

1.60

55.4

-0.08

0.11

7.0

73

1

2

4

6

5

2

3

HEM 501 C H4B 502 C

4

1.19

1.19

59.6

-1.38

-0.47

14.6

77

4

1

2

2

1

2

1

5

1.25

1.48

65.2

0.44

0.20

8.3

73

2

2

4

10

7

2

2

HEM 501 C H4B 502 C HEM 501 D H4B 502 D

6

1.26

1.47

67.7

-0.34

0.16

13.1

72

6

4

4

6

8

2

1

HEM 501 C H4B 502 C HEM 501 D H4B 502 D OUM 503 D

7

1.24

1.48

68.7

-0.14

0.24

11.5

73

5

4

5

9

9

2

1

HEM 501 C H4B 502 C OUM 503 C HEM 501 D H4B 502 D

8

1.31

1.48

70.4

-0.73

0.16

10.1

72

6

4

4

4

8

3

2

H4B 502 C OUM 503 C

9

1.69

3.52

73.5

-2.49

-0.73

15.9

77

5

2

8

2

2

1

0

10

1.32

1.32

74.5

-2.17

-0.68

16.3

80

6

2

8

4

1

1

0

11

1.31

1.33

77.8

-0.64

-0.09

13.8

78

4

2

4

9

4

3

1

HEM 501 C OUM 503 C

12

1.99

3.59

90.1

-1.19

-0.25

12.3

78

4

3

9

9

4

2

1

HEM 501 C OUM 503 C

13

1.28

1.31

103.2

-1.08

-0.33

10.6

72

5

4

5

4

5

6

3

14

1.21

1.42

115.5

-1.52

-0.44

9.8

73

5

5

10

4

5

5

3

15

1.99

1.99

37.0

0.07

0.29

8.2

69

2

1

2

5

6

3

1

HEM 501 A OUM 503 A

16

2.02

2.02

42.1

-0.44

0.14

11.3

73

3

3

5

4

7

0

1

HEM 501 B OUM 503 B

17

1.28

1.49

56.2

-0.56

0.14

9.6

74

7

3

3

4

6

2

1

H4B 502 B OUM 503 B

18

1.30

1.50

60.1

-0.32

0.00

7.4

75

3

2

4

6

5

2

2

HEM 501 B H4B 502 B

19

1.28

1.51

64.7

0.45

0.18

8.0

72

2

2

4

9

7

2

2

HEM 501 A H4B 502 A HEM 501 B H4B 502 B

20

1.27

1.51

67.5

-0.20

0.18

12.3

73

6

4

4

7

8

2

1

HEM 501 A H4B 502 A HEM 501 B H4B 502 B OUM 503 B

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.