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Proton wire configurations

Dimensionality reduction

Clustering

Viable proton wires

Source D E F
Glu222 HE2 Ser205 OG (2.5) Ser205 OG (2.4) Ser205 OG (1.7)
Ser205 HG Wat555 O (2.0) Wat315 O (1.9) Wat315 (2.0)
Thr203 HG1 Phe223 O (1.9) Wat1490 (1.8)
Cro66 H4 Glu222 OE1 (1.9)

Glu222 coordinated to Cro66

Source A B C
Glu222 HE2 Cro66 OG1 (1.8) Cro66 OG1 (1.9) Cro66 OG1 (1.7)
Ser205 HG Glu222 OE2 (2.7) Wat1714 O (1.9) Wat3564 (2.0)
Thr203 HG1 Leu201 O (2.5) Cro66 OH (1.8) Phe223 O (2.2)
Cro66 H4
Source H I
Glu222 HE2 Cro66 OG1 (1.9) Cro66 OG1 (2.0)
Ser205 HG Leu221 O (2.1) Leu221 O (2.2)
Thr203 HG1 Cro66 OH (1.9)
Cro66 H4 Val61 O (1.9)

Disordered Glu222

Source G
Glu222 HE2
Ser205 HG
Thr203 HG1 Cro66 OH (2.1)
Cro66 H4 Val61 O (2.0)

Glu222 coordinated to proton-wire water

Source J K
Glu222 HE2 Wat7866 O (2.0) Wat314 O (1.6)
Ser205 HG Glu222 OE1 (2.0)
Thr203 HG1 Wat7866 O (2.0) Cro66 OH (1.9)
Cro66 H4