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Table 1 TIM structures and subunit interfaces used in this study.

From: Structural analysis on mutation residues and interfacial water molecules for human TIM disease understanding

Domain PDB Organism Resolution (Å) #Water #Atoms Wetness rWBL gini
Eukarya 2JK2 H. sapiens 1.70 25 546 0.046 1.282 0.684
  1R2R O. cuniculus 1.50 30 563 0.053 1.140 0.681
  1TPH G. gallus 1.80 23 517 0.044 1.270 0.724
  2I9E T. molitor 2.00 17 498 0.034 0.894 0.687
  1MO0 C. elegans 1.70 29 530 0.055 1.063 0.620
  1YPI S. cerevisiae 1.90 22 503 0.044 1.304 0.649
  1TPF T. brucei 1.80 22 479 0.046 1.034 0.633
  1TCD T. cruzi 1.83 19 464 0.041 1.004 0.655
  1AMK L. mexicana 1.83 23 483 0.048 1.017 0.630
  1M6J E. histolytica 1.50 23 490 0.047 1.159 0.631
  1YDV P. falciparum 2.20 28 540 0.052 1.049 0.515
Bacteria 1TRE E. coli 2.60 12 491 0.024 1.293 0.671
  1AW2 M. marina 2.65 17 478 0.036 1.032 0.709
  1B9B T. maritima 2.85 11 502 0.022 1.162 0.680
  3GVG M. tuberculosis 1.55 41 587 0.070 1.132 0.594
  3KXQ B. henselae 1.60 46 600 0.077 1.121 0.502
  2JGQ H. pylori 2.30 31 555 0.056 1.146 0.525
Archaea 1HG3 P. woesei 2.70 18 458 0.039 1.103 0.611
  2H6R M. jannaschii 2.30 5 400 0.013 1.268 0.747
  1W0M T. tenax 2.50 21 487 0.043 1.075 0.516
  1. The TIM structures from 20 organisms used and their properties: resolution, number of interfacial waters, number of interfacial atoms, wetness, rWBL and gini coefficient (from column 4 to column 9).