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. 2016 Aug 2;56(9):1654–1675. doi: 10.1021/acs.jcim.6b00122

Table 11. Values of the Key Properties Correlated with Higher Affinities at the Four Identified Positionsa.

    PAK1 (mean pKi = 5.12)
TYRO3 (mean pKi = 5.69)
FLT1 (mean pKi = 6.47)
position desirable property (unit) amino acid value amino acid value amino acid value
13 large size (Da) Asn329 132 Lys572 146 Asn893 132
13 electrophilicity (KD score) Asn329 –3.5 Lys572 –3.9 Asn893 –3.5
23 large size (Da) Gly349 75 His598 155 Tyr914 181
31 small size (Da) Lys391 146 Ala647 89 Ala1024 89
31 hydrophobicity (KD score) Lys391 –3.9 Ala647 1.8 Ala1024 1.8
35 hydrophobicity (KD score) Thr406 –0.7 Ala662 1.8 Cys1039 2.5
a

The KD score corresponds to the Kyte and Doolitle hydrophobicity96.