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Table 3 Mean and standard deviation values (given in parentheses, reported only for datasets with size ≥ 5) for roll, for the ten dinucleotide steps, incorporating Watson-Crick basepairs

From: An ensemble of B-DNA dinucleotide geometries lead to characteristic nucleosomal DNA structure and provide plasticity required for gene expression

 

Roll values for dinucleotide steps with

 

Minor groove facing the histone octamer

Backbone facing the histone octamer

Major groove facing the histone octamer

Step

(Region I)

(Region II)

(Region III)

 

BI/BI

BI/BII

BII/BII

BI/BI

BI/BII

BII/BII

BI/BI

BI/BII

BII/BII

AA/TT

-0.6

(5.3)

-6.5

(6.6)

-11.8

(7.6)

2.6

(4.7)

-2.5

(4.6)

-14.9

NA

7.0

(5.1)

4.8

(5.2)

6.6

NA

 

241

67

8

122

21

1

289

55

1

AG/CT

5.4

(4.9)

-3.6

(4.6)

-6.5

(4.9)

5.2

(5.7)

19.9

NA

NA

10.1

(5.5)

8.5

(4.1)

NA

 

104

119

47

29

2

0

139

38

0

GA/TC

1.1

(3.7)

-2.7

(5.7)

0.9

NA

7.1

(5.0)

6.6

(4.2)

8.8

NA

5.0

(4.4)

4.3

(3.7)

-4.3

NA

 

82

117

2

73

31

3

153

54

2

GG/CC

4.7

(4.3)

-2.5

(9.7)

-21.7

(20.8)

7.2

(6.3)

5.9

(4.4)

3.0

NA

11.4

(6.4)

11.0

(5.8)

NA

 

71

150

28

42

16

1

75

13

0

AC/GT

-6.5

NA

-5.8

NA

NA

4.3

(4.0)

15.1

NA

NA

4.1

(4.4)

1.9

(6.0)

NA

 

1

4

0

59

1

0

271

20

0

AT/AT

-3.4

(3.4)

-3.5

(8.5)

NA

1.0

(3.5)

-5.5

NA

NA

2.5

(5.8)

0.0

(4.7)

NA

 

109

5

0

110

4

0

139

6

0

GC/GC

0.3

(7.3)

-4.8

(5.0)

-8.0

(3.6)

6.3

(4.4)

0.6

(3.4)

NA

3.6

(3.0)

4.2

NA

NA

 

32

102

12

29

28

0

26

1

0

CA/TG

6.6

(3.7)

-1.2

(8.6)

-13.0

(8.4)

7.3

(5.7)

4.0

(5.1)

-9.9

(6.2)

12.2

(6.9)

6.6

(6.4)

-6.1

(6.0)

 

54

65

120

72

82

54

158

99

51

CG/CG

6.0

NA

-2.7

(3.8)

-4.8

(4.1)

NA

NA

NA

13.7

NA

-3.2

NA

NA

 

3

35

10

0

0

0

1

1

0

TA/TA

-1.1

(6.7)

-3.7

NA

-36.2

NA

-2.0

(5.4)

-4.7

(4.4)

-4.3

NA

8.1

(6.6)

12.5

(7.0)

6.3

NA

 

33

2

1

15

16

1

82

29

1

Overall

1.1

(5.8)

-3.4

(7.0)

-11.9

(11.1)

4.2

(5.5)

2.7

(6.2)

-8.8

(7.4)

6.9

(6.3)

6.4

(6.2)

-5.6

(6.3)

 

730

666

228

551

201

60

1333

316

55

  1. For each dinucleotide step, the 3rd row lists the size of the population for the respective dataset. Based on the side of the DNA facing the histone octamer (minor groove, backbone or major groove), the dinucleotide steps have been divided into three groups. The population in each group has been further sub-divided depending on whether the backbone conformation was BI in both strands, or a mixture of BI and BII, or BII in both strands. Please refer 'Methods' section for details of the classification scheme.