PDBsum entry 1nqw

Tunnel analysis for: 1nqw calculated with

MOLE 2.0

PDB id

1nqw

Tunnels calculated on whole structure

Tunnels calculated excluding ligands

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MOLEonline 2.0 manipulation
and
visualization
with HETATM:

without HETATM:

4 tunnels, coloured by tunnel radius

7 tunnels, coloured by tunnel radius

7 tunnels, coloured as in
list below

Tunnels are interior spaces connected with the protein surrounding. Only channels longer than 15 Å are shown.

Tunnels

Free R

Length

HPathy

HPhob

Polar

Rel Mut

Residue..type

Ligands

Radius

1

1.16

1.16

24.1

-0.30

-0.07

6.1

76

1

2

3

4

2

1

0

2

1.55

1.69

16.1

0.74

0.30

9.6

88

3

0

2

2

1

0

0

5YL 5201 E

3

1.30

1.69

15.9

-1.87

-0.18

31.1

85

4

1

1

2

1

0

0

5YL 1201 A

4

1.56

1.71

16.1

0.74

0.30

9.6

88

3

0

2

2

1

0

0

5YL 2201 B

5

1.20

3.47

16.4

-2.31

-0.48

24.1

77

2

2

1

3

1

0

0

6

1.34

1.34

22.5

-1.69

-0.39

25.6

71

2

2

0

0

1

1

0

7

1.81

2.15

20.1

-2.40

-0.43

32.2

71

2

2

0

0

1

1

0

Residue-type_colouring

Positive	Negative	Neutral	Aliphatic	Aromatic	Pro & Gly	Cysteine
H,K,R	D,E	S,T,N,Q	A,V,L,I,M	F,Y,W	P,G	C

Acknowledgement

Tunnels were calculated by

MOLE 2.0 program version 2.5.13.11.08 and visualized using Pymol 0.97rc.