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. 2023 Apr 5;24(7):6795. doi: 10.3390/ijms24076795

Table 1.

Predicted binding cavities via CASTp with their area, volumes and residues lining each pockets.

Pocket No. Area (Å2) Volume (Å3) Residues Lining the Pocket
1 397.972 455.471 Lys350, Val351, Gly374, Thr375, Lys376, Cys377, Ile378, Asn379, His394, Ala395, Glu396, Ile446, Thr448, Ser449, Pro450, Cys451, Gly452, Arg455, Ile456, Pro459, Lys483, Ile484, Glu485, Ser486, Gly487, Gln488, Gly489, Thr490, Leu511, Thr513, Cys516, Arg590, Lys594, and Ala595.
2 541.281 342.976 Ala389, Leu390, Asn391, Asp392, Ile397, Arg400, Arg401, Leu404, Tyr408, Gln500, Leu512, Thr513, Met514, Lys519, Arg522, Trp523, Val526, Gly527, Ile528, Gln529, Gly530, Ser531, Leu532, Leu533, Lys629, Leu632, Tyr658, His659, Lys662, Leu663, Tyr668, Gln669, Lys672, Phe676, Trp687, Val688, Glu689, Lys690, Pro691, Thr692, Gln694, and Asp695.
3 120.812 129.477 Ser458, His460, Glu461, Pro462, Ile463, Glu466, Pro467, Ala468, Asp469, Arg470, His471, His552, Asp554, and His555.