All-Atom Four-Body Knowledge-Based Statistical Potentials to Distinguish Native Protein Structures from Nonnative Folds

Table 9

PDB accession codes for 140 HIV-1 protease-inhibitor complexes.

Twenty-five complexes culled from Jenwitheesuk and Samudrala [25]

1gno

1hbv

1hef

1heg

1hih

1hiv

1hps

1hpv

1hte

1htf

1htg

1hvi

1hvj

1hvk

1hvl

1hvr

1hvs

1pro

1sbg

2upj

4hvp

4phv

5hvp

8hvp

9hvp

An additional 115 complexes obtained from the Binding MOAD database [26, 27]

1a30

1a8g

1a8k

1a94

1a9m

1ajv

1b6j

1b6k

1b6m

1b6p

1c70

1d4h

1d4i

1d4k

1d4l

1daz

1dmp

1dw6

1ebk

1ebw

1eby

1ebz

1ec1

1ec2

1ec3

1fej

1ff0

1fff

1ffi

1fg8

1fgc

1fqx

1g2k

1g35

1gnm

1gnn

1hpo

1hsg

1hwr

1hxb

1iiq

1izh

1k1t

1k1u

1k2b

1k2c

1k6p

1k6v

1lzq

1m0b

1met

1mrx

1msn

1mtr

1nh0

1odw

1ody

1ohr

1qbr

1qbs

1qbt

1qbu

1sdu

1t7k

1tcx

1vij

1vik

1z1h

1zj7

1zlf

1zp8

1zpa

2aod

2aog

2aqu

2avm

2avo

2bpv

2bqv

2cem

2cen

2f3k

2f80

2fgu

2idw

2ien

2ieo

2nxd

2nxl

2nxm

2o4s

2p3b

2psu

2psv

2pym

2pyn

2q54

2q55

2q5k

2q63

2qd6

2qd8

2qi1

2qi4

2qi7

2r38

2wkz

2wl0

3bgb

3cyw

3cyx

3d1x

3d1y

3d1z

3d20