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Table 4 Comparison of energy of the lowest energy decoy and average energy of the 10 best decoys (measured in Rosetta Energy Units – REUs) obtained by each algorithm on each of the 10 CASP domains

From: Balancing multiple objectives in conformation sampling to control decoy diversity in template-free protein structure prediction

   

Lowest energy

Avg. of the best 10

Domain

CASP

Length

Rosetta

Evo-Diverse

Rosetta

Evo-Diverse

T1008-D1

13

77

− 164.2

− 1 6 6 . 4

− 162

− 1 6 6 . 3

T0957s1-D1

13

108

− 1 2 1 . 5

− 112.6

− 1 1 5

− 112.6

T0892-D2

12

110

− 101.8

− 1 1 2 . 3

− 94.1

− 1 1 2 . 3

T0953s2-D3

13

93

− 53.1

− 6 7 . 6

− 49.8

− 6 6 . 3

T0960-D2

13

84

− 79.7

− 8 2 . 3

− 79.4

− 8 2 . 3

T0898-D2

12

55

− 65.5

− 6 6 . 7

− 62.8

− 6 6 . 7

T0859-D1

12

129

− 9 9 . 5

− 85.6

− 9 0 . 7

− 85.6

T0897-D1

12

138

− 141.4

− 1 4 7 . 4

− 137.4

− 1 4 7 . 4

T0886-D1

12

69

− 8 9 . 2

− 85.4

− 84

− 8 5 . 4

T0953s1-D1

13

67

− 51.8

− 5 9

− 49.1

− 5 9

  1. Lowest values for each target are marked in bold