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Table 4 Predicted amino acid selectivity recognition map. Amino acid selectivity recognition map for MC receptors for α-MSH computed from the proteochemometric model based on the physicochemical description of amino acids of the transmembrane regions presumed to facing in the direction opposite to the membrane. The contributions to selectivity Su, log(M), of the indicated amino acid positions were computed from the model using Eq. 5. Total selectivity represents the entire difference in affinity between receptor pairs computed from the model (see Eq. 4). TM, transmembrane regions; SG, segments.

From: Prediction of indirect interactions in proteins

Amino Acids

TM

SG

Contribution to selectivity Su, (log(M))

MC1

MC3

MC4

MC5

  

MC1/MC3

MC1/MC4

MC1/MC5

MC3/MC4

MC3/MC5

MC4/MC5

Glu37

Gln74

Gln43

Asp35

1

S1

0.23

0.23

0.18

0.00

-0.05

-0.05

Val38

Val75

Leu44

Met36

1

S1

0.00

0.11

0.12

0.11

0.12

0.00

Ser41

Lys78

Ser47

Ala39

1

S1

0.04

0.00

0.05

-0.04

0.01

0.05

Asp42

Pro79

Pro48

Val40

1

S1

0.21

0.21

0.21

0.00

0.00

0.00

Val60

Ile97

Ile66

Ile58

1

S1

0.48

0.48

0.48

0.00

0.00

0.00

Ile63

Val100

Ile69

Ile61

1

S1

0.07

0.00

0.00

-0.07

-0.07

0.00

Ile77

Leu114

Ile83

Val75

2

S2

-0.11

0.00

0.07

0.11

0.18

0.07

Ser83

Ala120

Ala89

Ala81

2

S2

0.14

0.14

0.14

0.00

0.00

0.00

Asn91

Asn128

Asn97

Ser89

2

S2

0.00

0.00

0.14

0.00

0.14

0.14

Val92

Ala129

Gly98

Ala90

2

S2

0.03

0.10

0.03

0.07

0.00

-0.07

Ala96

Ile133

Ile102

Ile94

2

S2

0.14

0.14

0.14

0.00

0.00

0.00

Leu99

Ala136

Thr105

Tyr97

2

S2

-0.01

0.05

0.06

0.06

0.07

0.01

Gln114

Gln151

Val119

Arg112

3

S2

0.00

0.08

0.11

0.08

0.11

0.03

Leu116

Met153

Ile121

Ile114

3

S2

-0.16

0.01

0.01

0.17

0.17

0.00

Ile120

Phe157

Ile125

Phe118

3

S2

-0.03

0.00

-0.03

0.03

0.00

-0.03

Thr124

Ile161

Ile129

Ile122

3

S2

0.14

0.14

0.14

0.00

0.00

0.00

Met128

Leu165

Leu133

Val126

3

S2

0.09

0.09

0.11

0.00

0.02

0.02

Leu129

Val166

Leu134

Val127

3

S2

-0.03

0.00

-0.03

0.03

0.00

-0.03

Leu132

Ile169

Ile137

Met130

3

S2

0.01

0.01

0.15

0.00

0.14

0.14

Gly136

Leu173

Leu141

Leu134

3

S2

0.14

0.14

0.14

0.00

0.00

0.00

Ala171

Cys208

Ala176

Phe169

4

S3

-0.09

0.00

0.04

0.09

0.13

0.04

Ser172

Cys209

Cys177

Cys170

4

S3

0.12

0.12

0.12

0.00

0.00

0.00

Phe175

Cys212

Ser180

Cys173

4

S3

0.02

0.11

0.02

0.09

0.00

-0.09

Ser176

Gly213

Gly181

Gly174

4

S3

0.12

0.12

0.12

0.00

0.00

0.00

Asp184

Glu221

Asp189

Glu182

5

S3

-0.07

0.00

-0.07

0.07

0.00

-0.07

Ala187

Met224

Ala192

Tyr185

5

S3

-0.08

0.00

-0.03

0.08

0.05

-0.03

Phe195

Met232

Met200

Met193

5

S3

0.12

0.12

0.12

0.00

0.00

0.00

Leu200

Met237

Leu205

Leu198

5

S3

-0.26

0.00

0.00

0.26

0.26

0.00

Met203

Met240

Met208

Leu201

5

S3

0.00

0.00

0.16

0.00

0.16

0.16

Leu243

Ile281

Leu247

Val240

6

S4

-0.07

0.00

0.63

0.07

0.70

0.63

Leu247

Leu285

Ile251

Leu244

6

S4

0.00

0.57

0.00

0.57

0.00

-0.57

Ile264

Ile302

Tyr268

Met261

6

S5

0.00

0.13

0.12

0.13

0.12

0.00

Val265

Ile303

Ile269

Leu262

6

S5

0.02

0.02

0.11

0.00

0.09

0.09

Ala285

Val323

Ile289

Ile282

7

S5

0.02

0.06

0.06

0.05

0.05

0.00

Ile288

Met326

Met292

Met285

7

S5

0.04

0.04

0.04

0.00

0.00

0.00

Ala291

Ser329

Ser295

Ser288

7

S5

0.04

0.04

0.04

0.00

0.00

0.00

Ile292

Val330

Ile296

Val289

7

S5

-0.01

0.00

-0.01

0.01

0.00

-0.01

Total selectivity

-

 

1.30

3.26

3.70

1.96

2.40

0.44