HHBLITS_AA_TO_ID

Use the hhblits convention to map amino acids to corresponding numbers. Map some undefined single-letter symbols to definite values, such that B can be expressed as aspartic acid or aspartic acid. It is specified that B has the same number as D for aspartic acid (ASP), while J and O have the same number as X for unknown amino acid. U has the same number as C for cysteine (CYS). Z has the same number as E for glutamic acid (GLU), and ‘-’ represents the missing amino acid. Except B, J, O, U, and Z, other letters are numbered in sequence, and their meanings correspond to those in restype_1to3 .

key

value

A

0

B

2

C

1

D

2

E

3

F

4

G

5

H

6

I

7

J

20

K

8

L

9

M

10

N

11

O

20

P

12

Q

13

R

14

S

15

T

16

U

1

V

17

W

18

X

20

Y

19

Z

3

-

21