SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012756885.1 NCBI__GCF_000023185.1:WP_012756885.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

4n0wA X-ray crystal structure of a serine hydroxymethyltransferase from burkholderia cenocepacia with covalently attached pyridoxal phosphate
63% identity, 97% coverage: 8:428/432 of query aligns to 1:415/416 of 4n0wA

query
sites
4n0wA

S

S

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M

F

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D

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E

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active site: Y57 (= Y61), E59 (= E63), D202 (= D207), T228 (= T233), K231 (= K236), R237 (= R242)
binding pyridoxal-5'-phosphate: S99 (= S103), G100 (= G104), S101 (= S105), H128 (= H132), D202 (= D207), A204 (= A209), H205 (= H210), K231 (= K236)

4otlA X-ray crystal structure of serine hydroxymethyl transferase from burkholderia cenocepacia bound to plp and glycine
64% identity, 96% coverage: 13:428/432 of query aligns to 2:408/409 of 4otlA

query
sites
4otlA

S

T

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L

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F

K

G

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A

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G

G

N

N

L

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A

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D

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E

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-

L

-

K

-

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-

S

-

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G

E

N

D

A

A

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Y

active site: Y50 (= Y61), E52 (= E63), D195 (= D207), T221 (= T233), K224 (= K236), R230 (= R242)
binding glycine: S30 (= S41), Y50 (= Y61), Y60 (= Y71), H121 (= H132), K224 (= K236), R355 (= R368)
binding pyridoxal-5'-phosphate: S92 (= S103), G93 (= G104), S94 (= S105), H121 (= H132), S170 (≠ T182), D195 (= D207), A197 (= A209), H198 (= H210), K224 (= K236)

4ot8A X-ray crystal structure of serine hydroxymethyl transferase from burkholderia cenocepacia bound to plp and serine
64% identity, 97% coverage: 10:428/432 of query aligns to 1:413/414 of 4ot8A

query
sites
4ot8A

F

F

N

D

R

R

-

A

-

Q

-

S

S

T

L

I

A

A

D

N

V

V

D

D

P

P

D

E

I

I

F

F

G

A

A

A

I

I

G

E

K

Q

E

E

L

N

G

R

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R

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Q

R

E

H

D

E

H

I

I

E

E

L

L

I

I

A

A

S
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S

E

E

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N

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Y

V

T

S

S

R

P

A

A

V

V

L

M

E

A

A

A

Q

Q

G

G

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S

I

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M

L

T

T

N

N

K

K

Y
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Y

A

A

E
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E

G

G

Y

Y

P

P

G

G

K

K

R

R

Y

Y

Y
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Y

G

G

C

C

Q

E

F

Y

V

V

D

D

I

V

A

V

E

E

E

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L

L

A

A

I

I

E

D

R

R

A

V

K

K

K

Q

L

L

F

F

G

G

V

A

N

E

F

A

A

A

N

N

V

V

Q

Q

P

P

N

N

S
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S

G
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G

S
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S

Q

Q

M

A

N

N

Q

Q

A

G

V

V

F

F

L

F

A

A

L

M

L

L

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K

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P

G

G

D

D

T

T

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I

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M

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G

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M

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S

H

G

G

H
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L

L

T

T

H

H

G

G

S

S

P

P

V

V

N

N

M

M

S

S

G

G

K

K

W

W

F

F

N

N

V

V

S

S

Y

Y

G

G

V

L

R

N

E

E

G

N

D

E

N

D

L

-

L

I

D

D

M

Y

D

D

E

A

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A

A

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K

L

A

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I

I

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A

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I

A

A

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G

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D

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A
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H

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A

A

G

G

L

L

V

I

A

A

G

A

G

G

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H

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N

P

P

F

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P

H

H

C

A

H

D

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A

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T

T
|
T

T

T

H

H

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K

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R

G

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H

H

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I

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A

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K

A

A

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A

A

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F

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K

E

E

A

A

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P

P

E

E

F

F

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K

D

E

Y

Y

A

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V

K

E

N

N

A

A

K

R

A

V

L

L

A

A

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E

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T

L

L

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R

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S

H

H

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M

M

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D

D

L

L

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A

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E

E

A

A

L

L

G

G

R

A

A

A

Y

H

V

I

T

T

C

V

N

N

K

K

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A

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F

N

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D

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P

E

E

K

K

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P

F

F

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T

T

S

S

G

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R
|
R

L

L

G

G

A

S

P

P

A

A

G

M

T

T

R

R

G

G

F

F

K

G

E

P

A

A

E

E

F

A

R

E

E

Q

I

V

G

G

N

N

L

L

I

I

V

A

E

D

V

V

L

L

D

E

G

-

L

-

K

-

V

-

A

-

N

-

S

-

D

N

E

P

G

E

N

D

A

A

V

T

E

I

A

E

A

R

V

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R

R

G

A

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Q

V

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A

S

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T

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P

M

V

Y

Y

active site: Y55 (= Y61), E57 (= E63), D200 (= D207), T226 (= T233), K229 (= K236), R235 (= R242)
binding pyridoxal-5'-phosphate: S97 (= S103), G98 (= G104), S99 (= S105), H126 (= H132), D200 (= D207), A202 (= A209), H203 (= H210), K229 (= K236)
binding serine: S35 (= S41), E57 (= E63), Y65 (= Y71), H126 (= H132), H203 (= H210), R360 (= R368)

6ymfA Crystal structure of serine hydroxymethyltransferase from aphanothece halophytica in the plp-serine external aldimine state (see paper)
59% identity, 97% coverage: 14:431/432 of query aligns to 7:417/418 of 6ymfA

query
sites
6ymfA

L

L

A

L

D

Q

V

T

D

D

P

P

D

T

I

I

F

S

G

G

A

M

I

M

G

Q

K

K

E

E

L

L

G

Q

R

R

Q

Q

R

R

H

E

E

H

I

L

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

F

V

T

S

S

R

P

A

A

V

V

L

M

E

A

A

T

Q

Q

G

G

S

S

I

V

M

L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

L

P

P

G

K

K

K

R

R

Y

Y

G

G

C

C

Q

E

F

F

V

I

D

D

I

E

A

I

E

E

E

Q

L

V

A

A

I

I

E

D

R

R

A

A

K

K

K

E

L

L

F

F

G

G

V

A

N

A

F

S

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
x
A

Q

Q

M

A

N

N

Q

F

A

A

V

V

F

F

L

L

A

T

L

L

Q

K

P

P

G

G

D

D

T

K

F

I

M

M

G

G

L

M

D

D

L

L

N

S

S

H

G

G

H
|
H

L

L

T

T

H

H

G

G

S

S

P

P

V

A

N

N

M

V

S

S

G

G

K

K

W

W

F

F

N

E

V

A

V

V

S

H

Y

Y

G

G

V

V

R

S

E

Q

G

E

D

T

N

E

L

Q

L

L

D

D

M

Y

D

D

E

H

V

I

A

L

R

E

K

V

A

A

E

R

E

Q

T

E

K

R

P

P

K

K

L

L

I

I

A

C

G

G

G

Y

T
x
S

A

A

Y

Y

S

P

R

R

I

I

W

I

D

N

W

F

K

E

R

K

F

F

R

R

E

A

I

I

A

A

D

D

S

E

V

V

G

G

A

A

Y

Y

L

L

M

L

V

A

D
|
D

M

I

A
|
A

H
|
H

I

I

A

A

G

G

L

L

V

V

A

A

G

S

G

G

V

H

H

H

P

P

S

N

P

P

F

V

P

P

H

H

C

C

H

D

V

V

A

V

T

T

T
|
T

T

T

H

H

K
|
K

S

T

L

L

R

R

G

G

P

P

R
|
R

G

G

V

L

I

I

L

L

T

T

N

R

D

D

E

P

D

E

L

L

A

G

K

K

F

F

N

N

S

K

A

S

V

V

F

F

P

P

G

G

L

T

Q

Q

G

G

P

P

L

L

M

E

H

H

I

V

I

I

A

A

A

G

K

K

A

A

V

V

A

A

F

F

K

G

E

E

A

A

L

L

Q

K

P

P

E

E

F

F

K

K

D

A

Y

Y

A

S

A

G

Q

Q

V

V

V

I

K

A

N

N

A

A

K

Q

A

A

L

M

A

A

E

Q

T

Q

L

L

I

Q

S

N

G

R

G

G

L

F

D

K

V

I

V

V

S

S

G

G

T

T

D

D

N

N

H

H

L

L

M

M

L

L

V

V

D

D

L

L

R

R

K

S

K

V

N

N

A

L

T

T

G

G

K

K

R

Q

A

A

E

D

A

Q

A

L

L

V

G

S

R

D

A

V

Y

N

V

I

T

T

C

A

N

N

K

K

N

N

G

T

I

V

P

P

F

F

D

D

P

P

E

E

K

S

P

P

F

F

V

V

T

T

S

S

G

G

V

L

R
|
R

L

L

G

G

A

S

P

P

A

A

G

M

T

T

R

R

G

G

F

L

K

G

E

T

A

E

E

D

F

F

R

A

E

E

I

I

G

A

N

N

L

I

I

I

V

A

E

D

V

R

L

L

D

-

G

-

L

-

K

-

V

-

A

-

N

-

S

Q

D

N

E

P

G

E

N

D

A

E

A

Q

V

V

E

K

A

Q

A

A

V

C

R

V

G

Q

K

R

V

V

V

A

S

A

L

L

T

C

D

E

R

R

F

F

P

P

M

L

Y

Y

G

P

Y

H

M

L

active site: Y54 (= Y61), E56 (= E63), D200 (= D207), T226 (= T233), K229 (= K236), R235 (= R242)
binding [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine: S34 (= S41), S96 (= S103), G97 (= G104), A98 (≠ S105), H125 (= H132), S175 (≠ T182), D200 (= D207), A202 (= A209), H203 (= H210), T226 (= T233), K229 (= K236), R361 (= R368)

6ymdA Crystal structure of serine hydroxymethyltransferase from aphanothece halophytica in the covalent complex with malonate (see paper)
59% identity, 97% coverage: 14:431/432 of query aligns to 7:417/420 of 6ymdA

query
sites
6ymdA

L

L

A

L

D

Q

V

T

D

D

P

P

D

T

I

I

F

S

G

G

A

M

I

M

G

Q

K

K

E

E

L

L

G

Q

R

R

Q

Q

R

R

H

E

E

H

I

L

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

F

V

T

S

S

R

P

A

A

V

V

L

M

E

A

A

T

Q

Q

G

G

S

S

I

V

M

L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

L

P

P

G

K

K

K

R

R

Y

Y

Y
|
Y

G

G

C

C

Q

E

F

F

V

I

D

D

I

E

A

I

E

E

E

Q

L

V

A

A

I

I

E

D

R

R

A

A

K

K

K

E

L

L

F

F

G

G

V

A

N

A

F

S

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
x
A

Q

Q

M

A

N

N

Q

F

A

A

V

V

F

F

L

L

A

T

L

L

Q

K

P

P

G

G

D

D

T

K

F

I

M

M

G

G

L

M

D

D

L

L

N

S

S

H

G

G

H
|
H

L

L

T

T

H

H

G

G

S

S

P

P

V

A

N

N

M

V

S

S

G

G

K

K

W

W

F

F

N

E

V

A

V

V

S

H

Y

Y

G

G

V

V

R

S

E

Q

G

E

D

T

N

E

L

Q

L

L

D

D

M

Y

D

D

E

H

V

I

A

L

R

E

K

V

A

A

E

R

E

Q

T

E

K

R

P

P

K

K

L

L

I

I

A

C

G

G

G
x
Y

T
x
S

A

A

Y

Y

S

P

R

R

I

I

W

I

D

N

W

F

K

E

R

K

F

F

R

R

E

A

I

I

A

A

D

D

S

E

V

V

G

G

A

A

Y

Y

L

L

M

L

V

A

D
|
D

M

I

A
|
A

H
|
H

I

I

A

A

G

G

L

L

V

V

A

A

G

S

G

G

V

H

H

H

P

P

S

N

P

P

F

V

P

P

H

H

C

C

H

D

V

V

A

V

T

T

T
|
T

T

T

H

H

K
|
K

S

T

L

L

R

R

G

G

P

P

R
|
R

G

G

V

L

I

I

L

L

T

T

N

R

D

D

E

P

D

E

L

L

A

G

K

K

F

F

N

N

S

K

A

S

V

V

F

F

P

P

G

G

L

T

Q

Q

G

G

G
|
G

P

P

L

L

M

E

H

H

I

V

I

I

A

A

A

G

K

K

A

A

V

V

A

A

F

F

K

G

E

E

A

A

L

L

Q

K

P

P

E

E

F

F

K

K

D

A

Y

Y

A

S

A

G

Q

Q

V

V

V

I

K

A

N

N

A

A

K

Q

A

A

L

M

A

A

E

Q

T

Q

L

L

I

Q

S

N

G

R

G

G

L

F

D

K

V

I

V

V

S

S

G

G

T

T

D

D

N

N

H

H

L

L

M

M

L

L

V

V

D

D

L

L

R

R

K

S

K

V

N

N

A

L

T

T

G

G

K

K

R

Q

A

A

E

D

A

Q

A

L

L

V

G

S

R

D

A

V

Y

N

V

I

T

T

C

A

N

N

K

K

N

N

G

T

I

V

P

P

F

F

D

D

P

P

E

E

K

S

P

P

F

F

V

V

T

T

S

S

G

G

V

L

R
|
R

L

L

G

G

A

S

P

P

A

A

G

M

T

T

R

R

G

G

F

L

K

G

E

T

A

E

E

D

F

F

R

A

E

E

I

I

G

A

N

N

L

I

I

I

V

A

E

D

V

R

L

L

D

-

G

-

L

-

K

-

V

-

A

-

N

-

S

Q

D

N

E

P

G

E

N

D

A

E

A

Q

V

V

E

K

A

Q

A

A

V

C

R

V

G

Q

K

R

V

V

V

A

S

A

L

L

T

C

D

E

R

R

F

F

P

P

M

L

Y

Y

G

P

Y

H

M

L

active site: Y54 (= Y61), E56 (= E63), D200 (= D207), T226 (= T233), K229 (= K236), R235 (= R242)
binding malonate ion: S34 (= S41), Y54 (= Y61), E56 (= E63), Y64 (= Y71), H125 (= H132), H203 (= H210), K229 (= K236), R361 (= R368)
binding 4'-deoxy-4'-aminopyridoxal-5'-phosphate: Y54 (= Y61), S96 (= S103), G97 (= G104), A98 (≠ S105), H125 (= H132), Y174 (≠ G181), S175 (≠ T182), D200 (= D207), A202 (= A209), T226 (= T233), K229 (= K236), G261 (= G268)

4wxgA Crystal structure of l-serine hydroxymethyltransferase in complex with a mixture of l-threonine and glycine (see paper)
61% identity, 95% coverage: 18:428/432 of query aligns to 6:410/410 of 4wxgA

query
sites
4wxgA

D

D

P

P

D

E

I

L

F

W

G

N

A

A

I

I

G

D

K

A

E

E

L

A

G

E

R

R

Q

Q

R

Q

H

N

E

N

I

I

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

V

V

V

S

S

R

K

A

A

V

V

L

M

E

A

A

A

Q

Q

G

G

S
x
T

I

L

M
x
L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

Y

P

P

G

G

K

K

R

R

Y

Y

Y
|
Y

G

G

C

T

Q

A

F

V

V

I

D

D

I

V

A

V

E

E

E

T

L

L

A

A

I

I

E

E

R

R

A

A

K

K

L

L

F

F

G

G

V

A

N

K

F

F

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
|
S

Q

Q

M

A

N

N

Q

A

A

A

V

V

F

Y

L

M

A

S

L

L

L

I

Q

Q

P

P

G

G

D

D

T

T

F

V

M

M

G

G

L

M

D

D

L

L

N

S

S

A

G

G

H
|
H

L

L

T

T

H

H

G

G

S

A

P

P

V

V

N

S

M

F

S

S

G

G

K

K

W

T

F

Y

N

N

V

F

V

V

S

S

Y

Y

G

N

V

V

R

D

E

K

G

E

D

S

N

E

L

L

D

D

M

Y

D

D

E

A

V

I

A

L

R

A

K

Q

A

A

E

K

E

E

T

V

K

R

P

P

K

K

L

L

I

I

I

V

A

A

G

G

G

A

T
x
S

A

A

Y

Y

S

S

R

R

I

I

W

I

D

D

W

F

K

A

R

K

F

F

R

R

E

E

I

I

A

A

D

D

S

A

V

V

G
|
G

A

A

Y

Y

L

L

M

M

V

V

D
|
D

M

M

A
|
A

H
|
H

I

I

A

A

G

G

L

L

V

V

A

A

G

S

G

G

V

H

H

H

P

P

S

S

P

P

F

V

P

P

H

Y

C
x
A

H

H

V

V

A
x
T

T

T

T
|
T

T

T

H

H

K
|
K

S

T

L

L

R

R

G

G

P

P

R
|
R

G

G

V

L

I

I

L

L

T

T

N

D

D

D

E

E

D

D

L

I

A

A

K

K

F

L

N

N

S

S

A

A

V

V

F

F

P

P

G

G

L

L

Q

Q

G
|
G

G

G

P

P

L

L

M

E

H

H

I

V

I

I

A

A

K

K

A

A

V

V

A

A

F

L

K

K

E

E

A

A

L

L

Q

D

P

P

E

A

F

F

K

K

D

E

Y

Y

A

G

A

E

Q

N

V

V

V

I

K

K

N

N

A

A

K

A

A

A

L

M

A

A

E

D

T

V

L

F

I

N

S

Q

G

H

-

P

G

D

L

F

D

R

V

V

V

I

S

S

G

G

T

T

D

N

N

N

H

H

L

L

M

F

L

L

V

V

D

D

L

V

R

T

K

K

K

V

N

V

A

E

T

N

G

G

K

K

R

V

A

A

E

Q

A

N

A

V

L

L

G

E

R

E

A

V

Y

N

V

I

T

T

C

L

N

N

K

K

N

N

G

S

I

I

P

P

F

Y

D

E

P

Q

E

L

K

S

P

P

F

F

V

K

T

T

S

S

G

G

V

I

R
|
R

L

V

G

G

A

S

P

P

A

A

G

I

T

T

T

S

R

R

G

G

F

M

K

G

E

E

A

A

E

E

F

S

R

R

E

Q

I

I

G

A

N

E

L

W

I

M

V

V

E

E

V

A

L

L

D

E

G

-

L

-

K

-

V

-

A

-

N

N

S

H

D

D

E

K

G

-

N

-

A

P

A

E

V

V

E

L

A

E

A

R

V

I

R

R

G

G

K

D

V

V

V

K

S

V

L

L

T

T

D

D

R

A

F

F

P

P

M

L

Y

Y

active site: T43 (≠ S55), L45 (≠ M57), G189 (= G201), A215 (≠ C227), T218 (≠ A230), R230 (= R242)
binding N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-threonine: S29 (= S41), Y49 (= Y61), E51 (= E63), Y59 (= Y71), S91 (= S103), G92 (= G104), S93 (= S105), H120 (= H132), S170 (≠ T182), D195 (= D207), A197 (= A209), H198 (= H210), T221 (= T233), K224 (= K236), G255 (= G267), R357 (= R368)

4wxfA Crystal structure of l-serine hydroxymethyltransferase in complex with glycine (see paper)
61% identity, 95% coverage: 18:428/432 of query aligns to 6:410/410 of 4wxfA

query
sites
4wxfA

D

D

P

P

D

E

I

L

F

W

G

N

A

A

I

I

G

D

K

A

E

E

L

A

G

E

R

R

Q

Q

R

Q

H

N

E

N

I

I

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

V

V

V

S

S

R

K

A

A

V

V

L

M

E

A

A

A

Q

Q

G

G

S
x
T

I

L

M
x
L

T

T

N

N

K

K

Y
|
Y

A

A

E

E

G

G

Y

Y

P

P

G

G

K

K

R

R

Y

Y

Y
|
Y

G

G

C

T

Q

A

F

V

V

I

D

D

I

V

A

V

E

E

E

T

L

L

A

A

I

I

E

E

R

R

A

A

K

K

L

L

F

F

G

G

V

A

N

K

F

F

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
|
S

Q

Q

M

A

N

N

Q

A

A

A

V

V

F

Y

L

M

A

S

L

L

L

I

Q

Q

P

P

G

G

D

D

T

T

F

V

M

M

G

G

L

M

D

D

L

L

N

S

S

A

G

G

H
|
H

L

L

T

T

H

H

G

G

S

A

P

P

V

V

N

S

M

F

S

S

G

G

K

K

W

T

F

Y

N

N

V

F

V

V

S

S

Y

Y

G

N

V

V

R

D

E

K

G

E

D

S

N

E

L

L

D

D

M

Y

D

D

E

A

V

I

A

L

R

A

K

Q

A

A

E

K

E

E

T

V

K

R

P

P

K

K

L

L

I

I

I

V

A

A

G

G

G

A

T
x
S

A

A

Y

Y

S

S

R

R

I

I

W

I

D

D

W

F

K

A

R

K

F

F

R

R

E

E

I

I

A

A

D

D

S

A

V

V

G
|
G

A

A

Y

Y

L

L

M

M

V

V

D
|
D

M

M

A
|
A

H
|
H

I

I

A

A

G

G

L

L

V

V

A

A

G

S

G

G

V

H

H

H

P

P

S

S

P

P

F

V

P

P

H

Y

C
x
A

H

H

V

V

A
x
T

T

T

H
|
H

K
|
K

S

T

L

L

R

R

G

G

P

P

R
|
R

G

G

V

L

I

I

L

L

T

T

N

D

D

D

E

E

D

D

L

I

A

A

K

K

F

L

N

N

S

S

A

A

V

V

F

F

P

P

G

G

L

L

Q

Q

G
|
G

G

G

P

P

L

L

M

E

H

H

I

V

I

I

A

A

K

K

A

A

V

V

A

A

F

L

K

K

E

E

A

A

L

L

Q

D

P

P

E

A

F

F

K

K

D

E

Y

Y

A

G

A

E

Q

N

V

V

V

I

K

K

N

N

A

A

K

A

A

A

L

M

A

A

E

D

T

V

L

F

I

N

S

Q

G

H

-

P

G

D

L

F

D

R

V

V

V

I

S

S

G

G

T

T

D

N

N

N

H

H

L

L

M

F

L

L

V

V

D

D

L

V

R

T

K

K

K

V

N

V

A

E

T

N

G

G

K

K

R

V

A

A

E

Q

A

N

A

V

L

L

G

E

R

E

A

V

Y

N

V

I

T

T

C

L

N

N

K

K

N

N

G

S

I

I

P

P

F

Y

D

E

P

Q

E

L

K

S

P

P

F

F

V

K

T

T

S

S

G

G

V

I

R
|
R

L

V

G

G

A

S

P

P

A

A

G

I

T

T

T

S

R

R

G

G

F

M

K

G

E

E

A

A

E

E

F

S

R

R

E

Q

I

I

G

A

N

E

L

W

I

M

V

V

E

E

V

A

L

L

D

E

G

-

L

-

K

-

V

-

A

-

N

N

S

H

D

D

E

K

G

-

N

-

A

P

A

E

V

V

E

L

A

E

A

R

V

I

R

R

G

G

K

D

V

V

V

K

S

V

L

L

T

T

D

D

R

A

F

F

P

P

M

L

Y

Y

active site: T43 (≠ S55), L45 (≠ M57), G189 (= G201), A215 (≠ C227), T218 (≠ A230), R230 (= R242)
binding n-glycine-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane]: S29 (= S41), Y49 (= Y61), Y59 (= Y71), S91 (= S103), G92 (= G104), S93 (= S105), H120 (= H132), S170 (≠ T182), D195 (= D207), A197 (= A209), H198 (= H210), H223 (= H235), K224 (= K236), G255 (= G267), R357 (= R368)

6tghC Shmt from streptococcus thermophilus tyr55thr variant in complex with d-serine both as external aldimine and as non-covalent complex
61% identity, 95% coverage: 18:428/432 of query aligns to 6:410/410 of 6tghC

query
sites
6tghC

D

D

P

P

D

E

I

L

F

W

G

N

A

A

I

I

G

D

K

A

E

E

L

A

G

E

R

R

Q

Q

R

Q

H

N

E

N

I

I

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

V

V

V

S

S

R

K

A

A

V

V

L

M

E

A

A

A

Q

Q

G

G

S

T

I

L

M

L

T

T

N

N

K

K

Y
x
T

A

A

E
|
E

G

G

Y

Y

P

P

G

G

K

K

R

R

Y

Y

G

G

C

T

Q

A

F

V

V

I

D

D

I

V

A

V

E

E

E

T

L

L

A

A

I

I

E

E

R

R

A

A

K

K

L

L

F

F

G

G

V

A

N

K

F

F

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
|
S

Q

Q

M

A

N

N

Q

A

A

A

V

V

F

Y

L

M

A

S

L

L

L

I

Q

Q

P

P

G

G

D

D

T

T

F

V

M

M

G

G

L

M

D

D

L

L

N

S

S

A

G

G

H
|
H

L

L

T

T

H

H

G

G

S

A

P

P

V

V

N

S

M

F

S

S

G

G

K

K

W

T

F

Y

N

N

V

F

V

V

S

S

Y

Y

G

N

V

V

R

D

E

K

G

E

D

S

N

E

L

L

D

D

M

Y

D

D

E

A

V

I

A

L

R

A

K

Q

A

A

E

K

E

E

T

V

K

R

P

P

K

K

L

L

I

I

I

V

A

A

G

G

G

A

T

S

A

A

Y

Y

S

S

R

R

I

I

W

I

D

D

W

F

K

A

R

K

F

F

R

R

E

E

I

I

A

A

D

D

S

A

V

V

G

G

A

A

Y

Y

L

L

M

M

V

V

D
|
D

M

M

A
|
A

H
|
H

I

I

A

A

G

G

L

L

V

V

A

A

G

S

G

G

V

H

H

H

P

P

S

S

P

P

F

V

P

P

H

Y

C

A

H

H

V

V

A

T

T

T

T
|
T

T

T

H

H

K
|
K

S

T

L

L

R

R

G

G

P

P

R
|
R

G

G

V

L

I

I

L

L

T

T

N

D

D

D

E

E

D

D

L

I

A

A

K

K

F

L

N

N

S

S

A

A

V

V

F

F

P

P

G

G

L

L

Q

Q

G
|
G

G

G

P

P

L

L

M

E

H

H

I

V

I

I

A

A

K

K

A

A

V

V

A

A

F

L

K

K

E

E

A

A

L

L

Q

D

P

P

E

A

F

F

K

K

D

E

Y

Y

A

G

A

E

Q

N

V

V

V

I

K

K

N

N

A

A

K

A

A

A

L

M

A

A

E

D

T

V

L

F

I

N

S

Q

G

H

-

P

G

D

L

F

D

R

V

V

V

I

S

S

G

G

T

T

D

N

N

N

H

H

L

L

M

F

L

L

V

V

D

D

L

V

R

T

K

K

K

V

N

V

A

E

T

N

G

G

K

K

R

V

A

A

E

Q

A

N

A

V

L

L

G

E

R

E

A

V

Y

N

V

I

T

T

C

L

N

N

K

K

N

N

G

S

I

I

P

P

F

Y

D

E

P

Q

E

L

K

S

P

P

F

F

V

K

T

T

S

S

G

G

V

I

R
|
R

L

V

G

G

A

S

P

P

A

A

G

I

T

T

T

S

R

R

G

G

F

M

K

G

E

E

A

A

E

E

F

S

R

R

E

Q

I

I

G

A

N

E

L

W

I

M

V

V

E

E

V

A

L

L

D

E

G

-

L

-

K

-

V

-

A

-

N

N

S

H

D

D

E

K

G

-

N

-

A

P

A

E

V

V

E

L

A

E

A

R

V

I

R

R

G

G

K

D

V

V

V

K

S

V

L

L

T

T

D

D

R

A

F

F

P

P

M

L

Y

Y

active site: T49 (≠ Y61), E51 (= E63), D195 (= D207), T221 (= T233), K224 (= K236), R230 (= R242)
binding d-serine: S29 (= S41), H198 (= H210), R357 (= R368)
binding L-Serine, N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]: E51 (= E63), G255 (= G267)
binding pyridoxal-5'-phosphate: S91 (= S103), G92 (= G104), S93 (= S105), H120 (= H132), D195 (= D207), A197 (= A209), H198 (= H210), T221 (= T233), K224 (= K236)

6tghA Shmt from streptococcus thermophilus tyr55thr variant in complex with d-serine both as external aldimine and as non-covalent complex
61% identity, 95% coverage: 18:428/432 of query aligns to 6:410/410 of 6tghA

query
sites
6tghA

D

D

P

P

D

E

I

L

F

W

G

N

A

A

I

I

G

D

K

A

E

E

L

A

G

E

R

R

Q

Q

R

Q

H

N

E

N

I

I

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

V

V

V

S

S

R

K

A

A

V

V

L

M

E

A

A

A

Q

Q

G

G

S

T

I

L

M

L

T

T

N

N

K

K

Y
x
T

A

A

E
|
E

G

G

Y

Y

P

P

G

G

K

K

R

R

Y

Y

Y
|
Y

G

G

C

T

Q

A

F

V

V

I

D

D

I

V

A

V

E

E

E

T

L

L

A

A

I

I

E

E

R

R

A

A

K

K

L

L

F

F

G

G

V

A

N

K

F

F

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
|
S

Q

Q

M

A

N

N

Q

A

A

A

V

V

F

Y

L

M

A

S

L

L

L

I

Q

Q

P

P

G

G

D

D

T

T

F

V

M

M

G

G

L

M

D

D

L

L

N

S

S

A

G

G

H
|
H

L

L

T

T

H

H

G

G

S

A

P

P

V

V

N

S

M

F

S

S

G

G

K

K

W

T

F

Y

N

N

V

F

V

V

S

S

Y

Y

G

N

V

V

R

D

E

K

G

E

D

S

N

E

L

L

D

D

M

Y

D

D

E

A

V

I

A

L

R

A

K

Q

A

A

E

K

E

E

T

V

K

R

P

P

K

K

L

L

I

I

I

V

A

A

G

G

G

A

T
x
S

A

A

Y

Y

S

S

R

R

I

I

W

I

D

D

W

F

K

A

R

K

F

F

R

R

E

E

I

I

A

A

D

D

S

A

V

V

G

G

A

A

Y

Y

L

L

M

M

V

V

D
|
D

M

M

A
|
A

H
|
H

I

I

A

A

G

G

L

L

V

V

A

A

G

S

G

G

V

H

H

H

P

P

S

S

P

P

F

V

P

P

H

Y

C

A

H

H

V

V

A

T

T

T

T
|
T

T

T

H

H

K
|
K

S

T

L

L

R

R

G

G

P

P

R
|
R

G

G

V

L

I

I

L

L

T

T

N

D

D

D

E

E

D

D

L

I

A

A

K

K

F

L

N

N

S

S

A

A

V

V

F

F

P

P

G

G

L

L

Q

Q

G

G

P

P

L

L

M

E

H

H

I

V

I

I

A

A

K

K

A

A

V

V

A

A

F

L

K

K

E

E

A

A

L

L

Q

D

P

P

E

A

F

F

K

K

D

E

Y

Y

A

G

A

E

Q

N

V

V

V

I

K

K

N

N

A

A

K

A

A

A

L

M

A

A

E

D

T

V

L

F

I

N

S

Q

G

H

-

P

G

D

L

F

D

R

V

V

V

I

S

S

G

G

T

T

D

N

N

N

H

H

L

L

M

F

L

L

V

V

D

D

L

V

R

T

K

K

K

V

N

V

A

E

T

N

G

G

K

K

R

V

A

A

E

Q

A

N

A

V

L

L

G

E

R

E

A

V

Y

N

V

I

T

T

C

L

N

N

K

K

N

N

G

S

I

I

P

P

F

Y

D

E

P

Q

E

L

K

S

P

P

F

F

V

K

T

T

S

S

G

G

V

I

R
|
R

L

V

G

G

A

S

P

P

A

A

G

I

T

T

T

S

R

R

G

G

F

M

K

G

E

E

A

A

E

E

F

S

R

R

E

Q

I

I

G

A

N

E

L

W

I

M

V

V

E

E

V

A

L

L

D

E

G

-

L

-

K

-

V

-

A

-

N

N

S

H

D

D

E

K

G

-

N

-

A

P

A

E

V

V

E

L

A

E

A

R

V

I

R

R

G

G

K

D

V

V

V

K

S

V

L

L

T

T

D

D

R

A

F

F

P

P

M

L

Y

Y

active site: T49 (≠ Y61), E51 (= E63), D195 (= D207), T221 (= T233), K224 (= K236), R230 (= R242)
binding d-serine: E51 (= E63), Y59 (= Y71)
binding L-Serine, N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]: S29 (= S41), S91 (= S103), G92 (= G104), S93 (= S105), H120 (= H132), S170 (≠ T182), D195 (= D207), A197 (= A209), H198 (= H210), K224 (= K236), R357 (= R368)

6ti4A Shmt from streptococcus thermophilus tyr55ser variant in complex with plp/d-serine/lys230 gem diamine complex
61% identity, 95% coverage: 18:428/432 of query aligns to 6:410/410 of 6ti4A

query
sites
6ti4A

D

D

P

P

D

E

I

L

F

W

G

N

A

A

I

I

G

D

K

A

E

E

L

A

G

E

R

R

Q

Q

R

Q

H

N

E

N

I

I

E

E

L

L

I

I

A

A

S

S

E

E

N

N

I

V

V

V

S

S

R

K

A

A

V

V

L

M

E

A

A

A

Q

Q

G

G

S

T

I

L

M

L

T

T

N

N

K

K

Y
x
S

A
|
A

E
|
E

G

G

Y

Y

P

P

G

G

K

K

R

R

Y
|
Y

G

G

C

T

Q

A

F

V

V

I

D

D

I

V

A

V

E

E

E

T

L

L

A

A

I

I

E

E

R

R

A

A

K

K

L

L

F

F

G

G

V

A

N

K

F

F

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
|
S

Q

Q

M

A

N

N

Q

A

A

A

V

V

F

Y

L

M

A

S

L

L

L

I

Q

Q

P

P

G

G

D

D

T

T

F

V

M

M

G

G

L

M

D

D

L

L

N

S

S

A

G

G

H
|
H

L

L

T

T

H

H

G

G

S

A

P

P

V

V

N

S

M

F

S

S

G

G

K

K

W

T

F

Y

N

N

V

F

V

V

S

S

Y

Y

G

N

V

V

R

D

E

K

G

E

D

S

N

E

L

L

D

D

M

Y

D

D

E

A

V

I

A

L

R

A

K

Q

A

A

E

K

E

E

T

V

K

R

P

P

K

K

L

L

I

I

I

V

A

A

G

G

G

A

T
x
S

A

A

Y

Y

S

S

R

R

I

I

W

I

D

D

W

F

K

A

R

K

F

F

R

R

E

E

I

I

A

A

D

D

S

A

V

V

G

G

A

A

Y

Y

L

L

M

M

V

V

D
|
D

M

M

A
|
A

H
|
H

I

I

A

A

G

G

L

L

V

V

A

A

G

S

G

G

V

H

H

H

P

P

S

S

P

P

F

V

P

P

H

Y

C

A

H

H

V

V

A

T

T

T

T
|
T

T

T

H

H

K
|
K

S

T

L

L

R

R

G

G

P

P

R
|
R

G

G

V

L

I

I

L

L

T

T

N

D

D

D

E

E

D

D

L

I

A

A

K

K

F

L

N

N

S

S

A

A

V

V

F

F

P

P

G

G

L

L

Q

Q

G
|
G

G

G

P

P

L

L

M

E

H

H

I

V

I

I

A

A

K

K

A

A

V

V

A

A

F

L

K

K

E

E

A

A

L

L

Q

D

P

P

E

A

F

F

K

K

D

E

Y

Y

A

G

A

E

Q

N

V

V

V

I

K

K

N

N

A

A

K

A

A

A

L

M

A

A

E

D

T

V

L

F

I

N

S

Q

G

H

-

P

G

D

L

F

D

R

V

V

V

I

S

S

G

G

T

T

D

N

N

N

H

H

L

L

M

F

L

L

V

V

D

D

L

V

R

T

K

K

K

V

N

V

A

E

T

N

G

G

K

K

R

V

A

A

E

Q

A

N

A

V

L

L

G

E

R

E

A

V

Y

N

V

I

T

T

C

L

N

N

K

K

N

N

G

S

I

I

P

P

F

Y

D

E

P

Q

E

L

K

S

P

P

F

F

V

K

T

T

S

S

G

G

V

I

R
|
R

L

V

G

G

A

S

P

P

A

A

G

I

T

T

T

S

R

R

G

G

F

M

K

G

E

E

A

A

E

E

F

S

R

R

E

Q

I

I

G

A

N

E

L

W

I

M

V

V

E

E

V

A

L

L

D

E

G

-

L

-

K

-

V

-

A

-

N

N

S

H

D

D

E

K

G

-

N

-

A

P

A

E

V

V

E

L

A

E

A

R

V

I

R

R

G

G

K

D

V

V

V

K

S

V

L

L

T

T

D

D

R

A

F

F

P

P

M

L

Y

Y

active site: S49 (≠ Y61), E51 (= E63), D195 (= D207), T221 (= T233), K224 (= K236), R230 (= R242)
binding magnesium ion: A50 (= A62), E51 (= E63), Y58 (= Y70), Y59 (= Y71)
binding (2~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid: E51 (= E63), Y59 (= Y71), S91 (= S103), G92 (= G104), S93 (= S105), H120 (= H132), S170 (≠ T182), D195 (= D207), A197 (= A209), H198 (= H210), K224 (= K236), G255 (= G267), R357 (= R368)

6ti3A Apo-shmt from streptococcus thermophilus tyr55ser variant in complex with d-threonine
61% identity, 95% coverage: 18:428/432 of query aligns to 6:410/410 of 6ti3A

query
sites
6ti3A

D

D

P

P

D

E

I

L

F

W

G

N

A

A

I

I

G

D

K

A

E

E

L

A

G

E

R

R

Q

Q

R

Q

H

N

E

N

I

I

E

E

L

L

I

I

A

A

S

S

E

E

N

N

I

V

V

V

S

S

R

K

A

A

V

V

L

M

E

A

A

A

Q

Q

G

G

S

T

I

L

M

L

T

T

N

N

K

K

Y
x
S

A

A

E
|
E

G

G

Y

Y

P

P

G

G

K

K

R

R

Y

Y

G

G

C

T

Q

A

F

V

V

I

D

D

I

V

A

V

E

E

E

T

L

L

A

A

I

I

E

E

R

R

A

A

K

K

L

L

F

F

G

G

V

A

N

K

F

F

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
|
S

Q

Q

M

A

N

N

Q

A

A

A

V

V

F

Y

L

M

A

S

L

L

L

I

Q

Q

P

P

G

G

D

D

T

T

F

V

M

M

G

G

L

M

D

D

L

L

N

S

S

A

G

G

H

H

L

L

T

T

H

H

G

G

S

A

P

P

V

V

N

S

M

F

S

S

G

G

K

K

W

T

F

Y

N

N

V

F

V

V

S

S

Y

Y

G

N

V

V

R

D

E

K

G

E

D

S

N

E

L

L

D

D

M

Y

D

D

E

A

V

I

A

L

R

A

K

Q

A

A

E

K

E

E

T

V

K

R

P

P

K

K

L

L

I

I

I

V

A

A

G

G

G

A

T

S

A

A

Y

Y

S

S

R

R

I

I

W

I

D

D

W

F

K

A

R

K

F

F

R

R

E

E

I

I

A

A

D

D

S

A

V

V

G

G

A

A

Y

Y

L

L

M

M

V

V

D
|
D

M

M

A

A

H

H

I

I

A

A

G

G

L

L

V

V

A

A

G

S

G

G

V

H

H

H

P

P

S

S

P

P

F

V

P

P

H

Y

C

A