Hypo No.

Total cost

Cost difference^a

RMSD

Correlation

Features^b

Max. fit

Hypo 1

110.381

30.556

0.993

0.919

HBD, HBD, HBD, HY, 4EV

10.616

Hypo 2

113.815

27.122

1.145

0.890

HBD, HBD, HBD, HY, 2EV

10.526

Hypo 3

113.934

27.003

1.157

0.887

HBA, HBD, HBD, HY, 2EV

10.416

Hypo 4

114.804

26.133

1.136

0.895

HBA, HBD, HBD, HY, 3EV

11.161

Hypo 5

116.672

24.265

1.238

0.870

HBA, HBD, HY, RA, 3EV

10.759

Hypo 6

117.635

23.302

1.271

0.863

HBA, HBD, HY, RA, EV

10.779

Hypo 7

117.675

23.262

1.164

0.898

HBA, HBD, HBD, HY, 4EV

12.029

Hypo 8

117.981

22.956

1.279

0.862

HBD, HBD, HY, RA, 3EV

10.854

Hypo 9

120.500

20.437

1.393

0.830

HBD, HBD, HBD, HY, EV

10.390

Hypo 10

121.092

19.845

1.437

0.815

HBA, HBA, HBD, HY

9.865