SitesBLAST

M1 (≠ I4) modified: Initiator methionine, Removed
T14 (= T17) binding
S59 (≠ A62) mutation to W: Abolishes inhibition of GK by FBP via disruption of the dimer-tetramer assembly reaction. Inhibition by EIIA-Glc is unchanged compared to wild type. The activity of this mutant is significantly higher than wild-type, and the Michaelis constants are increased slightly compared to wild-type.
A66 (= A69) mutation to T: Although it completely abolishes FBP regulation and disrupts dimer-tetramer equilibrium, the crystal structure is essentially identical to the symmetric tetramer found in the FBP-bound form of the enzyme.
Y136 (= Y139) binding
G231 (= G234) mutation to D: Displays an increased enzymatic activity and a decreased allosteric regulation by FBP compared to wild-type. It displays a dimer form and is resistant to tetramer formation in the presence of FBP, whereas wild-type dimers are converted into inactive tetramers in the presence of FBP.
K233 (vs. gap) modified: N6-malonyllysine
G235 (vs. gap) binding
R237 (vs. gap) binding ; mutation to A: Drastically reduces inhibition of GK by FBP and lowers, but did not eliminate, the ability of FBP to promote tetramer association.
G305 (= G302) mutation to S: In glpK22; abolishes glucose control of glycerol utilization.
I475 (≠ L472) mutation to D: It decreases Vmax to about 10% of the wild-type value and the affinity for substrate is increased about two- to fourfold. This mutation decreases the catalytic activity in a manner that is analogous to that obtained upon EIIA-Glc binding. It increases the affinity for FBP about fivefold.
R480 (≠ K477) mutation to D: It decreases Vmax to about 10% of the wild-type value and the affinity for substrate is increased about two- to fourfold. This mutation decreases the catalytic activity in a manner that is analogous to that obtained upon EIIA-Glc binding. Regulation by FBP is not affected by this substitution. No inhibition by EIIA-Glc is observed, which is consistent with a decrease in affinity for EIIA-Glc of about 250-fold.

1glfO Crystal structures of escherichia coli glycerol kinase and the mutant a65t in an inactive tetramer: conformational changes and implications for allosteric regulation (see paper)
74% identity, 98% coverage: 7:497/501 of query aligns to 2:498/498 of 1glfO

query
sites
1glfO

K

K

N

K

Y

Y

I

I

I

V

A

A

L

L

D

D

Q

Q

G

G

T
|
T

T

T

S

S

R
|
R

A

A

I

V

F

M

D

D

R

H

D

D

A

A

N

N

V

I

C

S

T

V

A

S

Q

Q

R

R

E

E

F

F

A

E

Q

Q

H

I

Y

Y

P

P

Q

K

A

P

G

G

W

W

V

V

E

E

H

H

D

D

P

P

M

M

E

E

I

I

F

W

A

A

T

T

Q

Q

S

S

A

S

V

T

M

L

V

V

E

E

A

V

L

L

A

A

Q

K

A

A

G

D

L

I

H

S

D

D

Q

Q

V

I

A

A

I

I

G

G

I

I

T

T

N

N

Q
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Q

R
|
R

E
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E

T

T

V

I

V

V

W

W

D

E

K

K

T

E

T

T

G

G

R

K

P

P

I

I

Y

Y

N

N

A

A

I

I

V

V

W
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W

Q

Q

C

C

R

R

S

T

T

A

E

E

I

I

C

C

Q

E

Q

H

L

L

K

K

R

R

D

D

G

G

H

L

E

E

Q

D

Y

Y

I

I

S

R

Q

S

T

N

T

T

G

G

L

L

V

V

T

I

D

D

P

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Y
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Y

F

F

S

S

G

G

T

T

K

K

L

V

K

K

W

W

I

I

L

L

D

D

N

H

V

V

E

E

G

G

S

S

R

R

E

E

R

R

A

A

R

R

N

R

G

G

E

E

L

L

F

F

G

G

T

T

V

V

D

D

S

T

W

W

L

L

I

I

W

W

K

K

F

M

T

T

G

Q

G

G

K

R

V

V

H

H

V

V

T

T

D

D

Y

Y

T

T

N

N

A

A

S

S

R

R

T

T

L

M

L

L

F

F

N

N

I

I

H

H

S

T

L

L

E

D

W

W

D

D

A

D

K

K

M

M

L

L

E

E

I

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L

L

D

D

I

I

P

P

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R

E

E

M

M

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L

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P

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E

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R

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R

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S

E

E

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V

Y

Y

G

G

R

Q

T

T

K

N

S

I

G

G

-

G

-

K

-
x
G

-

T

-
x
R

I

I

A

P

I

I

G

S

G

G

I

I

A

A

G

G

D
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D

Q
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Q

Q

Q

A

A

L

L

F

F

G

G

Q

Q

M

L

C

C

V

V

E

K

P

E

G

G

Q

M

A

A

K

K

N

N

T

T

Y

Y

G
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G

T
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T

G

G

C

C

F
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F

L

M

L

L

M

M

N

N

T

T

G

G

K

E

K

K

A

A

V

V

K

K

S

S

N

E

H

N

G

G

M

L

L

L

T

T

I

I

A

A

C

C

G

G

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P

R

T

G

G

E

E

V

V

A

N

Y

Y

A

A

L

L

E

E

G

G

A

A

V

V

F

F

N

M

G

A

G
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G

S

A

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S

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x
I

Q
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Q

W

W

L

L

R

R

D

D

E

E

L

M

K

K

I

L

I

I

N

N

D

D

A
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A

L
x
Y

D

D

T

S

E

E

Y

Y

F

F

A

A

N

T

K

K

V

V

K

Q

D

N

S

T

N

N

G

G

V

V

Y

Y

L

V

V

V

P

P

A

A

F

F

T

T

G

G

L

L

G

G

A

A

P

P

Y

Y

W

W

D

D

P

P

Y

Y

A

A

R

R

G

G

A

A

L

I

F

F

G

G

L

L

T

T

R

R

G

G

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V

R

N

V

A

D

N

H

H

I

I

R

R

A

A

A

T

L

L

E

E

S

S

I

I

A

A

Y

Y

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T

T

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R

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D

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E

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A

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M

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A

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D

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G

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A

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L

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D

G
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G

A
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A

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V

A

A

N
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N

N

N

F

F

L

L

M

M

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Q

F

F

Q

Q

A

S

D

D

I

I

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L

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T

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E

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P

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K

E

M

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R

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E

E

T

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T

T

A

A

L

L

G

G

A

A

Y

Y

L

L

A

A

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G

L

L

A

A

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V

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G

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F

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W

G

Q

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N

L

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E

D

E

E

L

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R

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G

E

K

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A

A

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E

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R

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E

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F

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R

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P

Q

G

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D

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A

T

A

E

K

R

E

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K

Y

L

R

Y

Y

A

A

G

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Q

K

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K

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A

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A

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W

E

E

P

E

H

H

binding adenosine-5'-diphosphate: T12 (= T17), R16 (= R21), G265 (= G264), T266 (= T265), G309 (= G308), I312 (≠ V311), Q313 (= Q312), A325 (= A324), Y326 (≠ L325), G409 (= G408), G410 (= G409), A411 (= A410), N414 (= N413)
binding glycerol: T12 (= T17), Q81 (= Q86), R82 (= R87), E83 (= E88), W102 (= W107), Y134 (= Y139), D244 (= D243), Q245 (= Q244), F269 (= F268)
binding phosphate ion: G232 (vs. gap), G233 (vs. gap), R235 (vs. gap)

1bo5O Crystal structure of the complex between escherichia coli glycerol kinase and the allosteric regulator fructose 1,6-bisphosphate. (see paper)
74% identity, 98% coverage: 7:497/501 of query aligns to 2:498/498 of 1bo5O

query
sites
1bo5O

K

K

N

K

Y

Y

I

I

I

V

A

A

L

L

D

D

Q

Q

G

G

T

T

S

S

R

R

A

A

I

V

F

M

D

D

R

H

D

D

A

A

N

N

V

I

C

S

T

V

A

S

Q

Q

R

R

E

E

F

F

A

E

Q

Q

H

I

Y

Y

P

P

Q

K

A

P

G

G

W

W

V

V

E

E

H

H

D

D

P

P

M

M

E

E

I

I

F

W

A

A

T

T

Q

Q

S

S

A

S

V

T

M

L

V

V

E

E

A

V

L

L

A

A

Q

K

A

A

G

D

L

I

H

S

D

D

Q

Q

V

I

A

A

I

I

G

G

I

I

T

T

N

N

Q
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Q

R
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R

E
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E

T

T

V

I

V

V

W

W

D

E

K

K

T

E

T

T

G

G

R

K

P

P

I

I

Y

Y

N

N

A

A

I

I

V

V

W
|
W

Q

Q

C

C

R

R

S

T

T

A

E

E

I

I

C

C

Q

E

Q

H

L

L

K

K

R

R

D

D

G

G

H

L

E

E

Q

D

Y

Y

I

I

S

R

Q

S

T

N

T

T

G

G

L

L

V

V

T

I

D

D

P

P

Y
|
Y

F

F

S

S

G

G

T

T

K

K

L

V

K

K

W

W

I

I

L

L

D

D

N

H

V

V

E

E

G

G

S

S

R

R

E

E

R

R

A

A

R

R

N

R

G

G

E

E

L

L

F

F

G

G

T

T

V

V

D

D

S

T

W

W

L

L

I

I

W

W

K

K

F

M

T

T

G

Q

G

G

K

R

V

V

H

H

V

V

T

T

D

D

Y

Y

T

T

N

N

A

A

S

S

R

R

T

T

L

M

L

L

F

F

N

N

I

I

H

H

S

T

L

L

E

D

W

W

D

D

A

D

K

K

M

M

L

L

E

E

I

V

L

L

D

D

I

I

P

P

R

R

E

E

M

M

L

L

P

P

E

E

V

V

K

R

S

R

S

S

E

E

I

V

Y

Y

G

G

R

Q

T

T

K

N

S

I

G

G

-

G

-

K

-
x
G

-

T

-
x
R

I

I

A

P

I

I

G

S

G

G

I

I

A

A

G

G

D
|
D

Q
|
Q

Q

Q

A

A

L

L

F

F

G

G

Q

Q

M

L

C

C

V

V

E

K

P

E

G

G

Q

M

A

A

K

K

N

N

T

T

Y

Y

G

G

T

T

G

G

C

C

F
|
F

L

M

L

L

M

M

N

N

T

T

G

G

K

E

K

K

A

A

V

V

K

K

S

S

N

E

H

N

G

G

M

L

L

L

T

T

I

I

A

A

C

C

G

G

P

P

R

T

G

G

E

E

V

V

A

N

Y

Y

A

A

L

L

E

E

G

G

A

A

V

V

F

F

N

M

G

A

G

G

S

A

T

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I

Q

Q

W

W

L

L

R

R

D

D

E

E

L

M

K

K

I

L

I

I

N

N

D

D

A

A

L

Y

D

D

T

S

E

E

Y

Y

F

F

A

A

N

T

K

K

V

V

K

Q

D

N

S

T

N

N

G

G

V

V

Y

Y

L

V

V

V

P

P

A

A

F

F

T

T

G

G

L

L

G

G

A

A

P

P

Y

Y

W

W

D

D

P

P

Y

Y

A

A

R

R

G

G

A

A

L

I

F

F

G

G

L

L

T

T

R

R

G

G

V

V

R

N

V

A

D

N

H

H

I

I

R

R

A

A

A

T

L

L

E

E

S

S

I

I

A

A

Y

Y

Q

Q

T

T

R

R

D

D

V

V

L

L

D

E

A

A

M

M

Q

Q

Q

A

D

D

S

S

G

G

E

I

R

R

L

L

R

H

A

A

L

L

R

R

V

V

D

D

G

G

A

A

V

V

A

A

N

N

F

F

L

L

M

M

Q

Q

F

F

Q

Q

A

S

D

D

I

I

L

L

G

G

T

T

Q

R

V

V

E

E

R

R

P

P

K

E

M

V

R

R

E

E

T

V

T

T

A

A

L

L

G

G

A

A

Y

Y

L

L

A

A

G

G

L

L

A

A

C

V

G

G

F

F

W

W

G

Q

S

N

L

L

E

D

E

E

L

L

R

Q

G

E

K

K

A

A

V

V

I

I

E

E

R

R

E

E

F

F

E

R

P

P

Q

G

L

I

D

E

E

T

A

T

A

E

K

R

E

N

K

Y

L

R

Y

Y

A

A

G

G

W

W

Q

K

K

K

A

A

V

V

S

K

R

R

T

A

R

M

D

A

W

W

E

E

P

E

H

H

binding 1,6-di-O-phosphono-beta-D-fructofuranose: G232 (vs. gap), G233 (vs. gap), R235 (vs. gap)
binding glycerol: Q81 (= Q86), R82 (= R87), E83 (= E88), W102 (= W107), Y134 (= Y139), D244 (= D243), Q245 (= Q244), F269 (= F268)

1bu6Y Crystal structures of escherichia coli glycerol kinase and the mutant a65t in an inactive tetramer: conformational changes and implications for allosteric regulation (see paper)
74% identity, 98% coverage: 7:498/501 of query aligns to 2:499/499 of 1bu6Y

query
sites
1bu6Y

K

K

N

K

Y

Y

I

I

I

V

A

A

L

L

D

D

Q

Q

G

G

T
|
T

T

T

S

S

R

R

A

A

I

V

F

M

D

D

R

H

D

D

A

A

N

N

V

I

C

S

T

V

A

S

Q

Q

R

R

E

E

F

F

A

E

Q

Q

H

I

Y

Y

P

P

Q

K

A

P

G

G

W

W

V

V

E

E

H

H

D

D

P

P

M

M

E

E

I

I

F

W

A

A

T

T

Q

Q

S

S

A

S

V

T

M

L

V

V

E

E

A

V

L

L

A

T

Q

K

A

A

G

D

L

I

H

S

D

D

Q

Q

V

I

A

A

I

I

G

G

I

I

T

T

N

N

Q
|
Q

R
|
R

E
|
E

T

T

V

I

V

V

W

W

D

E

K

K

T

E

T

T

G

G

R

K

P

P

I

I

Y

Y

N

N

A

A

I

I

V

V

W
|
W

Q

Q

C

C

R

R

S

T

T

A

E

E

I

I

C

C

Q

E

Q

H

L

L

K

K

R

R

D

D

G

G

H

L

E

E

Q

D

Y

Y

I

I

S

R

Q

S

T

N

T

T

G

G

L

L

V

V

T

I

D

D

P

P

Y
|
Y

F

F

S

S

G

G

T

T

K

K

L

V

K

K

W

W

I

I

L

L

D

D

N

H

V

V

E

E

G

G

S

S

R

R

E

E

R

R

A

A

R

R

N

R

G

G

E

E

L

L

F

F

G

G

T

T

V

V

D

D

S

T

W

W

L

L

I

I

W

W

K

K

F

M

T

T

G

Q

G

G

K

R

V

V

H

H

V

V

T

T

D

D

Y

Y

T

T

N

N

A

A

S

S

R

R

T

T

L

M

L

L

F

F

N

N

I

I

H

H

S

T

L

L

E

D

W

W

D

D

A

D

K

K

M

M

L

L

E

E

I

V

L

L

D

D

I

I

P

P

R

R

E

E

M

M

L

L

P

P

E

E

V

V

K

R

S

R

S

S

E

E

I

V

Y

Y

G

G

R

Q

T

T

K

N

S

I

G

G

-

G

-

K

-

G

-

T

-

R

I

I

A

P

I

I

G

S

G

G

I

I

A

A

G

G

D
|
D

Q
|
Q

Q

Q

A

A

L

L

F

F

G

G

Q

Q

M

L

C

C

V

V

E

K

P

E

G

G

Q

M

A

A

K

K

N

N

T

T

Y

Y

G

G

T

T

G

G

C

C

F
|
F

L

M

L

L

M

M

N

N

T

T

G

G

K

E

K

K

A

A

V

V

K

K

S

S

N

E

H

N

G

G

M

L

L

L

T

T

I

I

A

A

C

C

G

G

P

P

R

T

G

G

E

E

V

V

A

N

Y

Y

A

A

L

L

E

E

G

G

A

A

V

V

F

F

N

M

G

A

G

G

S

A

T

S

V

I

Q

Q

W

W

L

L

R

R

D

D

E

E

L

M

K

K

I

L

I

I

N

N

D

D

A

A

L

Y

D

D

T

S

E

E

Y

Y

F

F

A

A

N

T

K

K

V

V

K

Q

D

N

S

T

N

N

G

G

V

V

Y

Y

L

V

V

V

P

P

A

A

F

F

T

T

G

G

L

L

G

G

A

A

P

P

Y

Y

W

W

D

D

P

P

Y

Y

A

A

R

R

G

G

A

A

L

I

F

F

G

G

L

L

T

T

R

R

G

G

V

V

R

N

V

A

D

N

H

H

I

I

R

R

A

A

A

T

L

L

E

E

S

S

I

I

A

A

Y

Y

Q

Q

T

T

R

R

D

D

V

V

L

L

D

E

A

A

M

M

Q

Q

Q

A

D

D

S

S

G

G

E

I

R

R

L

L

R

H

A

A

L

L

R

R

V

V

D

D

G

G

A

A

V

V

A

A

N

N

F

F

L

L

M

M

Q

Q

F

F

Q

Q

A

S

D

D

I

I

L

L

G

G

T

T

Q

R

V

V

E

E

R

R

P

P

K

E

M

V

R

R

E

E

T

V

T

T

A

A

L

L

G

G

A

A

Y

Y

L

L

A

A

G

G

L

L

A

A

C

V

G

G

F

F

W

W

G

Q

S

N

L

L

E

D

E

E

L

L

R

Q

G

E

K

K

A

A

V

V

I

I

E

E

R

R

E

E

F

F

E

R

P

P

Q

G

L

I

D

E

E

T

A

T

A

E

K

R

E

N

K

Y

L

R

Y

Y

A

A

G

G

W

W

Q

K

K

K

A

A

V

V

S

K

R

R

T

A

R

M

D

A

W

W

E

E

P

E

H

H

E

D

binding glycerol: T12 (= T17), Q81 (= Q86), R82 (= R87), E83 (= E88), W102 (= W107), Y134 (= Y139), D244 (= D243), Q245 (= Q244), F269 (= F268)

1gllO Escherichia coli glycerol kinase mutant with bound atp analog showing substantial domain motion (see paper)
75% identity, 98% coverage: 7:497/501 of query aligns to 2:494/494 of 1gllO

query
sites
1gllO

K

K

N

K

Y

Y

I

I

I

V

A

A

L

L

D

D

Q

Q

G
|
G

T
|
T

S

S

R

R

A

A

I

V

F

M

D

D

R

H

D

D

A

A

N

N

V

I

C

S

T

V

A

S

Q

Q

R

R

E

E

F

F

A

E

Q

Q

H

I

Y

Y

P

P

Q

K

A

P

G

G

W

W

V

V

E

E

H

H

D

D

P

P

M

M

E

E

I

I

F

W

A

A

T

T

Q

Q

S

S

A

W

V

T

M

L

V

V

E

E

A

V

L

L

A

A

Q

K

A

A

G

D

L

I

H

S

D

D

Q

Q

V

I

A

A

I

I

G

G

I

I

T

T

N

N

Q
|
Q

R
|
R

E
|
E

T

T

V

I

V

V

W

W

D

E

K

K

T

E

T

T

G

G

R

K

P

P

I

I

Y

Y

N

N

A

A

I

I

V

V

W
|
W

Q

Q

C

C

R

R

S

T

T

A

E

E

I

I

C

C

Q

E

Q

H

L

L

K

K

R

R

D

D

G

G

H

L

E

E

Q

D

Y

Y

I

I

S

R

Q

S

T

N

T

T

G

G

L

L

V

V

T

I

D

D

P

P

Y
|
Y

F

F

S

S

G

G

T

T

K

K

L

V

K

K

W

W

I

I

L

L

D

D

N

H

V

V

E

E

G

G

S

S

R

R

E

E

R

R

A

A

R

R

N

R

G

G

E

E

L

L

F

F

G

G

T

T

V

V

D

D

S

T

W

W

L

L

I

I

W

W

K

K

F

M

T

T

G

Q

G

G

K

R

V

V

H

H

V

V

T

T

D

D

Y

Y

T

T

N

N

A

A

S

S

R

R

T

T

L

M

L

L

F

F

N

N

I

I

H

H

S

T

L

L

E

D

W

W

D

D

A

D

K

K

M

M

L

L

E

E

I

V

L

L

D

D

I

I

P

P

R

R

E

E

M

M

L

L

P

P

E

E

V

V

K

R

S

R

S

S

E

E

I

V

Y

Y

G

G

R

Q

T

T

K

N

S

I

G

G

-

T

-

R

I

I

A

P

I

I

G

S

G

G

I

I

A

A

G

G

D
|
D

Q
|
Q

Q

Q

A

A

L

L

F

F

G

G

Q

Q

M

L

C

C

V

V

E

K

P

E

G

G

Q

M

A

A

K

K

N

N

T

T

Y

Y

G
|
G

T
|
T

G

G

C

C

F
|
F

L

M

L

L

M

M

N

N

T

T

G

G

K

E

K

K

A

A

V

V

K

K

S

S

N

E

H

N

G

G

M

L

L

L

T

T

I

I

A

A

C

C

G

G

P

P

R

T

G

G

E

E

V

V

A

N

Y

Y

A

A

L

L

E

E

G

G

A

A

V

V

F

F

N

M

G

A

G
|
G

S

A

T

S

V
x
I

Q
|
Q

W

W

L

L

R

R

D

D

E

E

L

M

K

K

I

L

I

I

N

N

D

D

A
|
A

L
x
Y

D

D

T
x
S

E

E

Y

Y

F

F

A

A

N

T

K

K

V

V

K

Q

D

N

S

T

N

N

G

G

V

V

Y

Y

L

V

V

V

P

P

A

A

F

F

T

T

G

G

L

L

G

G

A

A

P

P

Y

Y

W

W

D

D

P

P

Y

Y

A

A

R

R

G

G

A

A

L

I

F

F

G

G

L

L

T

T

R

R

G

G

V

V

R

N

V

A

D

N

H

H

I

I

R

R

A

A

A

T

L

L

E

E

S

S

I

I

A

A

Y

Y

Q

Q

T

T

R

R

D

D

V

V

L

L

D

E

A

A

M

M

Q

Q

Q

A

D

D

S

S

G

G

E

I

R

R

L

L

R

H

A

A

L

L

R

R

V

V

D

D

G

G

G
|
G

A
|
A

V

V

A

A

N
|
N

N

N

F

F

L

L

M

M

Q

Q

F

F

Q

Q

A

S

D

D

I

I

L

L

G

G

T

T

Q

R

V

V

E

E

R

R

P

P

K

E

M

V

R

R

E

E

T

V

T

T

A

A

L

L

G

G

A

A

Y

Y

L

L

A

A

G

G

L

L

A

A

C

V

G

G

F

F

W

W

G

Q

S

N

L

L

E

D

E

E

L

L

R

Q

G

E

K

K

A

A

V

V

I

I

E

E

R

R

E

E

F

F

E

R

P

P

Q

G

L

I

D

E

E

T

A

T

A

E

K

R

E

N

K

Y

L

R

Y

Y

A

A

G

G

W

W

Q

K

K

K

A

A

V

V

S

K

R

R

T

A

R

M

D

A

W

W

E

E

P

E

H

H

binding phosphomethylphosphonic acid adenylate ester: G11 (= G16), T12 (= T17), T13 (= T18), G261 (= G264), T262 (= T265), G305 (= G308), I308 (≠ V311), Q309 (= Q312), A321 (= A324), Y322 (≠ L325), S324 (≠ T327), G406 (= G409), A407 (= A410), N410 (= N413)
binding glycerol: Q81 (= Q86), R82 (= R87), E83 (= E88), W102 (= W107), Y134 (= Y139), D240 (= D243), Q241 (= Q244), F265 (= F268)

1gljO Escherichia coli glycerol kinase mutant with bound atp analog showing substantial domain motion (see paper)
75% identity, 98% coverage: 7:497/501 of query aligns to 2:494/494 of 1gljO

query
sites
1gljO

K

K

N

K

Y

Y

I

I

I

V

A

A

L

L

D

D

Q

Q

G
|
G

T
|
T

S

S

R

R

A

A

I

V

F

M

D

D

R

H

D

D

A

A

N

N

V

I

C

S

T

V

A

S

Q

Q

R

R

E

E

F

F

A

E

Q

Q

H

I

Y

Y

P

P

Q

K

A

P

G

G

W

W

V

V

E

E

H

H

D

D

P

P

M

M

E

E

I

I

F

W

A

A

T

T

Q

Q

S

S

A

W

V

T

M

L

V

V

E

E

A

V

L

L

A

A

Q

K

A

A

G

D

L

I

H

S

D

D

Q

Q

V

I

A

A

I

I

G

G

I

I

T

T

N

N

Q
|
Q

R
|
R

E
|
E

T

T

V

I

V

V

W

W

D

E

K

K

T

E

T

T

G

G

R

K

P

P

I

I

Y

Y

N

N

A

A

I

I

V

V

W
|
W

Q

Q

C

C

R

R

S

T

T

A

E

E

I

I

C

C

Q

E

Q

H

L

L

K

K

R

R

D

D

G

G

H

L

E

E

Q

D

Y

Y

I

I

S

R

Q

S

T

N

T

T

G

G

L

L

V

V

T

I

D

D

P

P

Y
|
Y

F

F

S

S

G

G

T

T

K

K

L

V

K

K

W

W

I

I

L

L

D

D

N

H

V

V

E

E

G

G

S

S

R

R

E

E

R

R

A

A

R

R

N

R

G

G

E

E

L

L

F

F

G

G

T

T

V

V

D

D

S

T

W

W

L

L

I

I

W

W

K

K

F

M

T

T

G

Q

G

G

K

R

V

V

H

H

V

V

T

T

D

D

Y

Y

T

T

N

N

A

A

S

S

R

R

T

T

L

M

L

L

F

F

N

N

I

I

H

H

S

T

L

L

E

D

W

W

D

D

A

D

K

K

M

M

L

L

E

E

I

V

L

L

D

D

I

I

P

P

R

R

E

E

M

M

L

L

P

P

E

E

V

V

K

R

S

R

S

S

E

E

I

V

Y

Y

G

G

R

Q

T

T

K

N

S

I

G

G

-

T

-

R

I

I

A

P

I

I

G

S

G

G

I

I

A

A

G

G

D
|
D

Q
|
Q

Q

Q

A

A

L

L

F

F

G

G

Q

Q

M

L

C

C

V

V

E

K

P

E

G

G

Q

M

A

A

K

K

N

N

T

T

Y

Y

G
|
G

T
|
T

G

G

C

C

F
|
F

L

M

L

L

M

M

N

N

T

T

G

G

K

E

K

K

A

A

V

V

K

K

S

S

N

E

H

N

G

G

M

L

L

L

T

T

I

I

A

A

C

C

G

G

P

P

R

T

G

G

E

E

V

V

A

N

Y

Y

A

A

L

L

E

E

G

G

A

A

V

V

F

F

N

M

G

A

G
|
G

S
x
A

T

S

V
x
I

Q
|
Q

W

W

L

L

R

R

D

D

E

E

L

M

K

K

I

L

I

I

N

N

D

D

A
|
A

L
x
Y

D

D

T
x
S

E

E

Y

Y

F

F

A

A

N

T

K

K

V

V

K

Q

D

N

S

T

N

N

G

G

V

V

Y

Y

L

V

V

V

P

P

A

A

F

F

T

T

G

G

L

L

G

G

A

A

P

P

Y

Y

W

W

D

D

P

P

Y

Y

A

A

R

R

G

G

A

A

L

I

F

F

G

G

L

L

T

T

R

R

G

G

V

V

R

N

V

A

D

N

H

H

I

I

R

R

A

A

A

T

L

L

E

E

S

S

I

I

A

A

Y

Y

Q

Q

T

T

R

R

D

D

V

V

L

L

D

E

A

A

M

M

Q

Q

Q

A

D

D

S

S

G

G

E

I

R

R

L

L

R

H

A

A

L

L

R

R

V

V

D

D

G

G

G
|
G

A
|
A

V

V

A

A

N
|
N

N

N

F

F

L

L

M

M

Q

Q

F

F

Q

Q

A

S

D

D

I

I

L

L

G

G

T

T

Q

R

V

V

E

E

R

R

P

P

K

E

M

V

R

R

E

E

T

V

T

T

A

A

L

L

G

G

A

A

Y

Y

L

L

A

A

G

G

L

L

A

A

C

V

G

G

F

F

W

W

G

Q

S

N

L

L

E

D

E

E

L

L

R

Q

G

E

K

K

A

A

V

V

I

I

E

E

R

R

E

E

F

F

E

R

P

P

Q

G

L

I

D

E

E

T

A

T

A

E

K

R

E

N

K

Y

L

R

Y

Y

A

A

G

G

W

W

Q

K

K

K

A

A

V

V

S

K

R

R

T

A

R

M

D

A

W

W

E

E

P

E

H

H

binding gamma-arsono-beta, gamma-methyleneadenosine-5'-diphosphate: G11 (= G16), T12 (= T17), T13 (= T18), G261 (= G264), T262 (= T265), G305 (= G308), A306 (≠ S309), I308 (≠ V311), Q309 (= Q312), A321 (= A324), Y322 (≠ L325), S324 (≠ T327), G406 (= G409), A407 (= A410), N410 (= N413)
binding glycerol: Q81 (= Q86), R82 (= R87), E83 (= E88), W102 (= W107), Y134 (= Y139), D240 (= D243), Q241 (= Q244), F265 (= F268)

1bwfO Escherichia coli glycerol kinase mutant with bound atp analog showing substantial domain motion (see paper)
75% identity, 98% coverage: 7:497/501 of query aligns to 2:494/494 of 1bwfO

query
sites
1bwfO

K

K

N

K

Y

Y

I

I

I

V

A

A

L

L

D

D

Q

Q

G
|
G

T
|
T

S

S

R

R

A

A

I

V

F

M

D

D

R

H

D

D

A

A

N

N

V

I

C

S

T

V

A

S

Q

Q

R

R

E

E

F

F

A

E

Q

Q

H

I

Y

Y

P

P

Q

K

A

P

G

G

W

W

V

V

E

E

H

H

D

D

P

P

M

M

E

E

I

I

F

W

A

A

T

T

Q

Q

S

S

A

W

V

T

M

L

V

V

E

E

A

V

L

L

A

A

Q

K

A

A

G

D

L

I

H

S

D

D

Q

Q

V

I

A

A

I

I

G

G

I

I

T

T

N

N

Q
|
Q

R
|
R

E
|
E

T

T

V

I

V

V

W

W

D

E

K

K

T

E

T

T

G

G

R

K

P

P

I

I

Y

Y

N

N

A

A

I

I

V

V

W
|
W

Q

Q

C

C

R

R

S

T

T

A

E

E

I

I

C

C

Q

E

Q

H

L

L

K

K

R

R

D

D

G

G

H

L

E

E

Q

D

Y

Y

I

I

S

R

Q

S

T

N

T

T

G

G

L

L

V

V

T

I

D

D

P

P

Y
|
Y

F

F

S

S

G

G

T

T

K

K

L

V

K

K

W

W

I

I

L

L

D

D

N

H

V

V

E

E

G

G

S

S

R

R

E

E

R

R

A

A

R

R

N

R

G

G

E

E

L

L

F

F

G

G

T

T

V

V

D

D

S

T

W

W

L

L

I

I

W

W

K

K

F

M

T

T

G

Q

G

G

K

R

V

V

H

H

V

V

T

T

D

D

Y

Y

T

T

N

N

A

A

S

S

R

R

T

T

L

M

L

L

F

F

N

N

I

I

H

H

S

T

L

L

E

D

W

W

D

D

A

D

K

K

M

M

L

L

E

E

I

V

L

L

D

D

I

I

P

P

R

R

E

E

M

M

L

L

P

P

E

E

V

V

K

R

S

R

S

S

E

E

I

V

Y

Y

G

G

R

Q

T

T

K

N

S

I

G

G

-

T

-

R

I

I

A

P

I

I

G

S

G

G

I

I

A

A

G

G

D
|
D

Q
|
Q

Q

Q

A

A

L

L

F

F

G

G

Q

Q

M

L

C

C

V

V

E

K

P

E

G

G

Q

M

A

A

K

K

N

N

T

T

Y

Y

G
|
G

T
|
T

G

G

C

C

F
|
F

L

M

L

L

M

M

N

N

T

T

G

G

K

E

K

K

A

A

V

V

K

K

S

S

N

E

H

N

G

G

M

L

L

L

T

T

I

I

A

A

C

C

G

G

P

P

R

T

G

G

E

E

V

V

A

N

Y

Y

A

A

L

L

E

E

G

G

A

A

V

V

F

F

N

M

G

A

G
|
G

S

A

T

S

V
x
I

Q
|
Q

W

W

L

L

R

R

D

D

E

E

L

M

K

K

I

L

I

I

N

N

D

D

A
|
A

L
x
Y

D

D

T
x
S

E

E

Y

Y

F

F

A

A

N

T

K

K

V

V

K

Q

D

N

S

T

N

N

G

G

V

V

Y

Y

L

V

V

V

P

P

A

A

F

F

T

T

G

G

L

L

G

G

A

A

P

P

Y

Y

W

W

D

D

P

P

Y

Y

A

A

R

R

G

G

A

A

L

I

F

F

G

G

L

L

T

T

R

R

G

G

V

V

R

N

V

A

D

N

H

H

I

I

R

R

A

A

A

T

L

L

E

E

S

S

I

I

A

A

Y

Y

Q

Q

T

T

R

R

D

D

V

V

L

L

D

E

A

A

M

M

Q

Q

Q

A

D

D

S

S

G

G

E

I

R

R

L

L

R

H

A

A

L

L

R

R

V

V

D

D

G
|
G

A
|
A

V

V

A

A

N
|
N

N

N

F

F

L

L

M

M

Q

Q

F

F

Q

Q

A

S

D

D

I

I

L

L

G

G

T

T

Q

R

V

V

E

E

R

R

P

P

K

E

M

V

R

R

E

E

T

V

T

T

A

A

L

L

G

G

A

A

Y

Y

L

L

A

A

G

G

L

L

A

A

C

V

G

G

F

F

W

W

G

Q

S

N

L

L

E

D

E

E

L

L

R

Q

G

E

K

K

A

A

V

V

I

I

E

E

R

R

E

E

F

F

E

R

P

P

Q

G

L

I

D

E

E

T

A

T

A

E

K

R

E

N

K

Y

L

R

Y

Y

A

A

G

G

W

W

Q

K

K

K

A

A

V

V

S

K

R

R

T

A

R

M

D

A

W

W

E

E

P

E

H

H

binding phosphodifluoromethylphosphonic acid-adenylate ester: G11 (= G16), T12 (= T17), T13 (= T18), G261 (= G264), T262 (= T265), G305 (= G308), I308 (≠ V311), Q309 (= Q312), A321 (= A324), Y322 (≠ L325), S324 (≠ T327), G405 (= G408), G406 (= G409), A407 (= A410), N410 (= N413)
binding glycerol: Q81 (= Q86), R82 (= R87), E83 (= E88), W102 (= W107), Y134 (= Y139), D240 (= D243), Q241 (= Q244), F265 (= F268)

1gldG Cation promoted association (cpa) of a regulatory and target protein is controlled by phosphorylation (see paper)
75% identity, 98% coverage: 9:497/501 of query aligns to 2:489/489 of 1gldG

query
sites
1gldG

Y

Y

I

I

I

V

A

A

L

L

D
|
D

Q

Q

G
|
G

T
|
T

S

S

R
|
R

A

A

I

V

F

M

D

D

R

H

D

D

A

A

N

N

V

I

C

S

T

V

A

S

Q

Q

R

R

E

E

F

F

A

E

Q

Q

H

I

Y

Y

P

P

Q

K

A

P

G

G

W

W

V

V

E

E

H

H

D

D

P

P

M

M

E

E

I

I

F

W

A

A

T

T

Q

Q

S

S

A

S

V

T

M

L

V

V

E

E

A

V

L

L

A

A

Q

K

A

A

G

D

L

I

H

S

D

D

Q

Q

V

I

A

A

I

I

G

G

I

I

T

T

N

N

Q
|
Q

R
|
R

E
|
E

T

T

V

I

V

V

W

W

D

E

K

K

T

E

T

T

G

G

R

K

P

P

I

I

Y

Y

N

N

A

A

I

I

V

V

W
|
W

Q

Q

C

C

R

R

S

T

T

A

E

E

I

I

C

C

Q

E

Q

H

L

L

K

K

R

R

D

D

G

G

H

L

E

E

Q

D

Y

Y

I

I

S

R

Q

S

T

N

T

T

G

G

L

L

V

V

T

I

D

D

P

P

Y
|
Y

F

F

S

S

G

G

T

T

K

K

L

V

K

K

W

W

I

I

L

L

D

D

N

H

V

V

E

E

G

G

S

S

R

R

E

E

R

R

A

A

R

R

N

R

G

G

E

E

L

L

F

F

G

G

T

T

V

V

D

D

S

T

W

W

L

L

I

I

W

W

K

K

F

M

T

T

G

Q

G

G

K

R

V

V

H

H

V

V

T

T

D

D

Y

Y

T

T

N

N

A

A

S

S

R

R

T

T

L

M

L

L

F

F

N

N

I

I

H

H

S

T

L

L

E

D

W

W

D

D

A

D

K

K

M

M

L

L

E

E

I

V

L

L

D

D

I

I

P

P

R

R

E

E

M

M

L

L

P

P

E

E

V

V

K

R

S

R

S

S

E

E

I

V

Y

Y

G

G

R

Q

T

T

K

N

S

I

G

-

I

I

A

P

I

I

G

S

G

G

I

I

A

A

G

G

D
|
D

Q
|
Q

Q

Q

A

A

L

L

F

F

G

G

Q

Q

M

L

C

C

V

V

E

K

P

E

G

G

Q

M

A

A

K

K

N

N

T

T

Y
|
Y

G
|
G

T
|
T

G

G

C

C

F
|
F

L

M

L

L

M

M

N

N

T

T

G

G

K

E

K

K

A

A

V

V

K

K

S

S

N

E

H

N

G

G

M

L

L

L

T

T

I

I

A

A

C

C

G

G

P

P

R

T

G

G

E

E

V

V

A

N

Y

Y

A

A

L

L

E

E

G

G

A

A

V

V

F

F

N

M

G

A

G
|
G

S

A

T

S

V
x
I

Q
|
Q

W

W

L

L

R

R

D

D

E

E

L

M

K

K

I

L

I

I

N

N

D

D

A
|
A

L
x
Y

D

D

T
x
S

E

E

Y

Y

F

F

A

A

N

T

K

K

V

V

K

Q

D

N

S

T

N

N

G

G

V

V

Y

Y

L

V

V

V

P

P

A

A

F

F

T

T

G

G

L

L

G

G

A

A

P

P

Y

Y

W

W

D

D

P

P

Y

Y

A

A

R

R

G

G

A

A

L

I

F

F

G

G

L

L

T

T

R

R

G

G

V

V

R

N

V

A

D

N

H

H

I

I

R

R

A

A

A

T

L

L

E

E

S

S

I

I

A

A

Y

Y

Q

Q

T

T

R

R

D

D

V

V

L

L

D

E

A

A

M

M

Q

Q

Q

A

D

D

S

S

G

G

E

I

R

R

L

L

R

H

A

A

L

L

R

R

V

V

D

D

G
|
G

A
|
A

V

V

A

A

N
|
N

N

N

F

F

L

L

M

M

Q

Q

F

F

Q

Q

A

S

D

D

I

I

L

L

G

G

T

T

Q

R

V

V

E

E

R

R

P

P

K

E

M

V

R

R

E

E

T

V

T

T

A

A

L

L

G

G

A

A

Y

Y

L

L

A

A

G

G

L

L

A

A

C

V

G

G

F

F

W

W

G

Q

S

N

L

L

E

D

E

E

L

L

R

Q

G

E

K

K

A

A

V

V

I

I

E

E

R

R

E

E

F

F

E

R

P

P

Q

G

L

I

D

E

E

T

A

T

A

E

K

R

E

N

K

Y

L

R

Y

Y

A

A

G

G

W

W

Q

K

K

K

A

A

V

V

S

K

R

R

T

A

R

M

D

A

W

W

E

E

P

E

H

H

binding adenosine-5'-diphosphate: G9 (= G16), T11 (= T18), R14 (= R21), Y255 (= Y263), G256 (= G264), T257 (= T265), G300 (= G308), I303 (≠ V311), Q304 (= Q312), A316 (= A324), Y317 (≠ L325), S319 (≠ T327), G400 (= G408), G401 (= G409), A402 (= A410), N405 (= N413)
binding glyceraldehyde-3-phosphate: G9 (= G16), T10 (= T17), Q79 (= Q86), R80 (= R87), E81 (= E88), W100 (= W107), Y132 (= Y139), D235 (= D243), Q236 (= Q244), T257 (= T265), F260 (= F268)
binding manganese (ii) ion: D7 (= D14), R14 (= R21), D235 (= D243)

1glcG Cation promoted association (cpa) of a regulatory and target protein is controlled by phosphorylation (see paper)
75% identity, 98% coverage: 9:497/501 of query aligns to 2:489/489 of 1glcG

query
sites
1glcG

Y

Y

I

I

I

V

A

A

L

L

D

D

Q

Q

G
|
G

T
|
T

S

S

R
|
R

A

A

I

V

F

M

D

D

R

H

D

D

A

A

N

N

V

I

C

S

T

V

A

S

Q

Q

R

R

E

E

F

F

A

E

Q

Q

H

I

Y

Y

P

P

Q

K

A

P

G

G

W

W

V

V

E

E

H

H

D

D

P

P

M

M

E

E

I

I

F

W

A

A

T

T

Q

Q

S

S

A

S

V

T

M

L

V

V

E

E

A

V

L

L

A

A

Q

K

A

A

G

D

L

I

H

S

D

D

Q

Q

V

I

A

A

I

I

G

G

I

I

T

T

N

N

Q
|
Q

R
|
R

E
|
E

T

T

V

I

V

V

W

W

D

E

K

K

T

E

T

T

G

G

R

K

P

P

I

I

Y

Y

N

N

A

A

I

I

V

V

W
|
W

Q

Q

C

C

R

R

S

T

T

A

E

E

I

I

C

C

Q

E

Q

H

L

L

K

K

R

R

D

D

G

G

H

L

E

E

Q

D

Y

Y

I

I

S

R

Q

S

T

N

T

T

G

G

L

L

V

V

T

I

D

D

P

P

Y
|
Y

F

F

S

S

G

G

T

T

K

K

L

V

K

K

W

W

I

I

L

L

D

D

N

H

V

V

E

E

G

G

S

S

R

R

E

E

R

R

A

A

R

R

N

R

G

G

E

E

L

L

F

F

G

G

T

T

V

V

D

D

S

T

W

W

L

L

I

I

W

W

K

K

F

M

T

T

G

Q

G

G

K

R

V

V

H

H

V

V

T

T

D

D

Y

Y

T

T

N

N

A

A

S

S

R

R

T

T

L

M

L

L

F

F

N

N

I

I

H

H

S

T

L

L

E

D

W

W

D

D

A

D

K

K

M

M

L

L

E

E

I

V

L

L

D

D

I

I

P

P

R

R

E

E

M

M

L

L

P

P

E

E

V

V

K

R

S

R

S

S

E

E

I

V

Y

Y

G

G

R

Q

T

T

K

N

S

I

G

-

I

I

A

P

I

I

G

S

G

G

I

I

A

A

G

G

D
|
D

Q

Q

A

A

L

L

F

F

G

G

Q

Q

M

L

C

C

V

V

E

K

P

E

G

G

Q

M

A

A

K

K

N

N

T

T

Y
|
Y

G
|
G

T
|
T

G

G

C

C

F
|
F

L

M

L

L

M

M

N

N

T

T

G

G

K

E

K

K

A

A

V

V

K

K

S

S

N

E

H

N

G

G

M

L

L

L

T

T

I

I

A

A

C

C

G

G

P

P

R

T

G

G

E

E

V

V

A

N

Y

Y

A

A

L

L

E

E

G

G

A

A

V

V

F

F

N

M

G

A

G
|
G

S
x
A

T

S

V
x
I

Q
|
Q

W

W

L

L

R

R

D

D

E

E

L

M

K

K

I

L

I

I

N

N

D

D

A
|
A

L
x
Y

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