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Table 1 EvP model assessment accuracy for different clustering parameters

From: Evolutionary potentials: structure specific knowledge-based potentials exploiting the evolutionary record of sequence homologs

EvP

AUC (%)

ACC (%)

OT

FPR (%)

TPR (%)

CLS_90-90 MSA_20

99.5

97.4

-4.18

2.3

97.0

CLS_90-80 MSA_20

99.3

97.2

-4.18

2.1

96.2

CLS_90-50 MSA_20

99.0

97.0

-4.18

2.2

95.8

CLS_90-10 MSA_20

99.0

97.0

-4.18

2.1

95.8

CLS_80-80 MSA_20

98.8

96.5

-4.18

1.8

94.2

CLS_80-50 MSA_20

97.7

94.7

-3.99

2.2

90.4

CLS_80-10 MSA_20

97.6

94.4

-3.92

2.5

90.2

  1. The sets of EvPs are named according to the clustering parameters (CLS_XX-YY) and the multiple sequence alignment filters (MSA_ZZ) used to derive them (Materials and methods). XX is the minimal structural similarity and YY is the minimal sequence identity used for structural clustering. ZZ is the minimal sequence identity shared between a sequence in the multiple sequence alignment and the sequence of the representative structure of the cluster. AUC is the area under the ROC curve, ACC is the maximal accuracy, OT is the optimal classification threshold, FPR is the false positive rate, and TPR is the true positive rate.