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Table 1 Summary data for the 1417 PDB structure files.

From: Four-body atomic potential for modeling protein-ligand binding affinity: application to enzyme-inhibitor binding energy prediction

Atom Types Count Proportion
C 3,612,988 0.633193
N 969,253 0.169866
O 1,088,410 0.190749
S 28,502 0.004995
(all metals) M 2,529 0.000443
(all other non-metals) X 4,299 0.000754
Total atom count: 5,705,981  
Total tetrahedron count: 34,504,737