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Table 3 Discrimination of native structures in Decoys 'R' Us multiple decoys sets

From: Protein structure modelling and evaluation based on a 4-distance description of side-chain interactions

 

Resolution, Ã…

Rank of native structure

Z-score of native structure

Number of decoys

RMSD range, Ã…

4state_reduced

     

   1sn3

1.20

1

5.3

660

1.3 - 9.1

   4rxn

1.20

1

5.7

677

1.4 - 8.1

   4pti

1.50

1

4.4

686

1.4 - 9.3

   1ctf

1.70

1

4.7

630

1.3 - 9.1

   1r69

2.00

1

6.6

676

0.9 - 8.3

   3icb

2.30

15

2.5

654

0.9 - 9.4

   2cro

2.35

1

4.1

673

0.8 - 8.3

fisa

     

   4icb

1.60

1

6.6

500

4.8 - 14.1

   2cro

2.35

1

5.4

501

4.3 - 12.6

   1fc2

2.80

33

1.6

501

3.1 - 10.6

   1hdd-C

2.80

1

5.3

501

2.8 - 12.9

fisa_casp3

     

   smd3

?

1

7.1

1200

8.5 - 17.0

   1bg8-A

2.20

1

6.1

1200

6.0 - 15.8

   1bl0

2.30

1

6.0

972

3.6 - 18.2

   1eh2

NMR

1

4.4

2413

4.0 - 15.3

   1jwe

NMR

1

8.3

1407

7.8 - 20.9

lattice_ssfit

     

   4icb

1.60

1

5.1

1988

4.7 - 12.9

   1ctf

1.70

1

6.2

1999

5.4 - 12.8

   1fca

1.80

1

4.2

1986

5.1 - 11.4

   1pgb

1.92

1

6.2

1997

5.8 - 12.9

   1beo

2.20

1

6.6

1998

7.0 - 15.6

   1dkt-A

2.90

1

5.5

1995

6.7 - 14.0

   1nkl

NMR

1

5.2

1995

5.3 - 13.6

   1trl-A

NMR

1

5.8

1998

5.4 - 12.5

lmds

     

   1igd

1.10

1

8.1

501

3.1 - 12.6

   2ovo

1.50

1

5.6

348

4.4 - 13.4

   4pti

1.50

1

5.2

344

4.9 - 13.2

   1ctf

1.70

1

7.6

496

3.6 - 12.5

   1b0n-B

1.90

1

5.3

498

2.4 - 6.0

   1shf-A

1.90

1

7.7

437

4.4 - 12.3

   2cro

2.35

1

7.7

501

3.9 - 13.5

   1fc2

2.80

49

1.5

501

4.0 - 8.4

   1bba

NMR

501

-3.8

501

2.8 - 8.9

   1dtk

NMR

3

3.6

216

4.3 - 12.6

  1. Each decoy structure and the native structure were scored and ranked using the Hunter's ScSc term only. Rank of 1 corresponds to the structure with the lowest score. The Z-score of the native structure was calculated to estimate Hunter's ability to discriminate the native structure from decoy structures. Resolution is of the X-ray structure.