PDBsum entry 2rai

Pore analysis for: 2rai calculated with

MOLE 2.0

PDB id

2rai

Pores calculated on whole structure

Pores calculated excluding ligands

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2 pores, coloured by radius

13 pores, coloured by radius

13 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

1.67

1.73

30.2

-2.28

-0.55

36.5

83

4

4

0

3

0

0

0

2

1.62

1.78

31.4

-1.00

-0.32

24.9

83

4

4

0

6

0

0

0

3

1.39

1.65

34.5

-1.35

-0.07

17.2

77

5

2

3

1

5

1

0

MSE 552 B

4

1.52

2.10

48.3

-0.85

-0.36

19.8

87

2

4

3

5

1

2

0

5

1.21

1.67

61.5

-0.36

0.10

12.1

77

5

2

4

2

7

2

0

MSE 409 A MSE 552 A

6

1.23

1.44

64.8

-0.61

-0.34

10.7

81

7

3

5

7

0

1

0

MSE 378 B MSE 537 B

7

1.18

2.99

72.1

0.20

0.54

9.5

64

5

3

5

12

10

1

2

MSE 490 A MSE 490 B

8

1.13

2.24

74.1

-0.54

0.31

19.3

68

8

5

2

8

6

1

1

MSE 326 B MSE 490 B

9

1.39

1.73

78.7

-1.16

-0.39

14.6

84

5

4

6

1

4

1

1

MSE 595 B

10

2.28

2.39

98.0

-1.13

-0.18

16.1

84

5

5

4

3

4

1

1

MSE 242 A MSE 595 B

11

1.24

1.75

112.3

-0.75

0.18

16.5

79

5

5

2

4

8

2

0

MSE 242 A MSE 409 A MSE 552 A MSE 595 B

12

1.25

1.39

115.0

-1.44

-0.54

16.3

79

6

6

5

6

1

2

1

MSE 378 B

13

1.19

1.95

135.1

-0.10

0.19

11.3

74

7

5

6

16

9

0

2

MSE 326 B MSE 490 B MSE 537 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.