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. Author manuscript; available in PMC: 2018 May 22.
Published in final edited form as: J Chem Inf Model. 2018 Feb 8;58(2):501–510. doi: 10.1021/acs.jcim.7b00397

Table 5.

Performance Comparison of ATPbind, ATPseq, and Other Existing ATP Binding Site Predictors on the Independent Test Dataset (PATP-TEST)h

predictor Sen (%) Spe (%) Acc (%) Pre (%) MCC AUC
NS S-SITEatp 67.51 92.65 91.51 30.41 0.416 N/A
NsitePreda 46.74 97.70 95.39 49.22 0.456 0.852
TargetATPsiteb 41.25 99.49 96.84 79.43 0.559 0.853
TargetSc 51.63 98.89 96.74 68.91 0.580 0.872
TargetSOSd 49.26 99.46 97.18 81.37 0.620 0.863
TargetNUCse 46.88 99.66 97.26 86.81 0.627 0.856
ATPseq 54.45 99.27 97.24 78.09 0.639 0.878
ITA TM-SITEatp 69.73 96.09 84.89 45.90 0.541 N/A
3DLigandSitef 48.81 98.58 96.32 62.08 0.532 N/A
COACHg 58.16 98.59 96.76 66.33 0.604 N/A
ATPbind 62.31 98.85 97.19 72.04 0.656 0.905
EXP TM-SITEatp 78.78 96.27 95.48 50.14 0.607 N/A
3DLigandSitef 56.82 99.31 97.38 79.63 0.660 N/A
COACHg 63.20 98.73 97.11 70.30 0.652 N/A
ATPbind 63.06 99.03 97.40 75.62 0.677 0.915
a

Results computed using the NsitePred server at http://biomine.cs.vcu.edu/servers/NsitePred.

b

Results computed using the TargetATPsite server at http://www.csbio.sjtu.edu.cn/bioinf/TargetATPsite.

c

Results computed using the TargetS server at http://www.csbio.sjtu.edu.cn/bioinf/TargetS.

d

Results computed using the TargetSOS server at http://www.csbio.sjtu.edu.cn/bioinf/TargetSOS.

e

Results computed using the TargetNUCs server at http://csbio.njust.edu.cn/bioinf/TargetNUCs/.

f

Results computed using the 3DLigandSite server at http://www.sbg.bio.ic.ac.uk/~3dligandsite/ by submitting the I-TASSER-modeled or experimental protein structure.

g

Results computed using the standalone program COACH which was downloaded at https://zhanglab.ccmb.med.umich.edu/COACH/.

h

”NS”, “ITA”, and “EXP” mean no structure, I-TASSER-modeled structure, and experimental structure, respectively. “N/A” means that the corresponding value could not be computed.