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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