1nqw -- ConCavity_Ligsite

Prediction Images

Residue Predictions

Pocket Predictions

• Visualize predictions using Jmol.

• Download PyMol visualization script: 1nqw_cc-ligsite_search_blur.pml.
  (Requires residue PDB file and pocket DX file)

Score Files

• Pocket grid scores:
  PDB format
  DX format

• Residue scores:
  Chain 0
  Chain 1
  Chain 2
  Chain 3
  Chain 4
  Chain 5
  Chain 6
  Chain 7
  Chain A
  Chain B
  Chain C
  Chain D
  Chain E
  Chain F
  Chain G
  Chain H
  Chain I
  Chain J
  Chain K
  Chain L
  Chain M
  Chain N
  Chain O
  Chain P
  Chain Q
  Chain R
  Chain S
  Chain T
  Chain U
  Chain V
  Chain W
  Chain X
  Chain Y
  Chain Z
  Chain a
  Chain b
  Chain c
  Chain d
  Chain e
  Chain f
  Chain g
  Chain h
  Chain i
  Chain j
  Chain k
  Chain l
  Chain m
  Chain n
  Chain o
  Chain p
  Chain q
  Chain r
  Chain s
  Chain t
  Chain u
  Chain v
  Chain w
  Chain x
  Chain y
  Chain z
  PDB (score in TempFactor field)
  

• Conservation scores:
  (calculated using Jensen-Shannon divergence on HSSP alignments)
  Chain 0
  Chain 1
  Chain 2
  Chain 3
  Chain 4
  Chain 5
  Chain 6
  Chain 7
  Chain A
  Chain B
  Chain C
  Chain D
  Chain E
  Chain F
  Chain G
  Chain H
  Chain I
  Chain J
  Chain K
  Chain L
  Chain M
  Chain N
  Chain O
  Chain P
  Chain Q
  Chain R
  Chain S
  Chain T
  Chain U
  Chain V
  Chain W
  Chain X
  Chain Y
  Chain Z
  Chain a
  Chain b
  Chain c
  Chain d
  Chain e
  Chain f
  Chain g
  Chain h
  Chain i
  Chain j
  Chain k
  Chain l
  Chain m
  Chain n
  Chain o
  Chain p
  Chain q
  Chain r
  Chain s
  Chain t
  Chain u
  Chain v
  Chain w
  Chain x
  Chain y
  Chain z
  

Back to ConCavity_Ligsite structure list.