Table 2 Selected H3 sequences for experimental validations.

From: Redesigning an antibody H3 loop by virtual screening of a small library of human germline-derived sequences

Design ID

H3 sequence

H3 lengtha

H3 sequenceb

KD (nM)

\({K}_{\text{D}}^{\text{Parent}}/{K}_{\text{D}}^{\text{Design}}\)

\({K}_{\text{D}}^{\text{minH3}}/{K}_{\text{D}}^{\text{Design}}\)

Tm (C)d

Identity

Similarity

minH3

SRWGMDY

7

100

100

16,000

0.0063

1.0

 

Parent

SRWGGDGFYAMDY

13

100

100

100

1.0

160

77.5

16_0325

ARGGAVAGTGVYYFDY

16

31

31

8c

13

2000

81.3

14_0112

AKGGSSSGPYHFEY

14

21

29

8c

13

2000

81.3

14_0472

ARGIAVAGAYYFDY

14

29

29

59,000

0.0017

0.27

83.4

13_0346

ARGGSFYYYYMDV

13

39

54

80

1.3

200

83.5

16_0102

AKGWEGTTVTLTPVDY

16

13

19

50,000

0.002

0.32

76.5

15_0485

ARHGVRGYYYYYMDV

15

27

40

310

0.32

52

78.8

14_0905

VRGGYLRDYYGMDV

14

21

29

5000

0.02

3.2

81.1

14_0130

AKLGIGYYYYGMDV

14

29

36

2800

0.04

5.7

76.6

14_0822

GRSGPRLGMYYFDF

14

21

29

> 50,000

< 0.002

< 0.3

81.1

12_0327

ARGRKYSSSFDY

12

25

33

1600

0.063

10

79.4

14_0480

ARGLERSGNYYLDY

14

29

36

2720

0.037

5.9

79.7

14_0129

AKLGGQGSYYHFDY

14

29

36

3480

0.029

4.6

75.2

16_0460

ARPSGGSRSWLYYFDY

16

25

25

4500

0.022

3.6

76.3

14_0490

ARGNEAGYYYGMDV

14

21

29

3590

0.028

4.5

79.3

14_0622

ARNGGDSYSGYFQH

14

7.1

14

4970

0.02

3.2

83.3

14_0688

ARSGRDAYNYYFDS

14

14

14

3600

0.028

4.4

86.5

  1. aLoop sequence length, in amino-acid residues, according to the IGMT definition46.
  2. bH3 sequence identity and similarity relative to the parental H3 sequence as determined using MOE (Chemical Computing Group) alignment tools.
  3. Highlighted in bold are the designs structurally characterized by X-ray crystallography.
  4. cPoor fit to 1:1 Langmuir binding model.
  5. dSee DSC thermograms (Figure S2).