 |
PDBsum entry 3cwa
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Pore analysis for: 3cwa calculated with  MOLE 2.0
|
PDB id
|
|
|
|
3cwa
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Pores calculated on whole structure |
|
Pores calculated excluding ligands
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
11 pores,
coloured by radius |
|
14 pores,
coloured by radius
|
14 pores,
coloured as in
list below
|
|
|
|
|
|
Pores are connected internal spaces going through the structure. Only pores longer than 25 Å are shown. |
|
|
|
|
|
|
|
Free R
|
|
|
|
|
|
|
Length
|
|
|
|
|
|
|
HPathy
|
|
|
|
|
|
|
HPhob
|
|
|
|
|
|
|
Polar
|
|
|
|
|
|
|
Rel Mut
|
|
|
|
|
|
|
Residue..type
|
|
|
|
|
|
|
Ligands
|
|
|
|
|
|
|
 |
Radius |
 |
1 |
 |
3.13 |
3.30 |
25.6 |
-2.40 |
-0.64 |
24.1 |
83 |
|
3 |
1 |
1 |
0 |
0 |
1 |
0 |
|
DC 3 E DA 4 E DA 17 F DC 18 F DT 19 F DC 20 F DA
21 F DT 22 F
|
 |
|
2 |
 |
1.49 |
1.49 |
29.1 |
-0.50 |
-0.34 |
8.5 |
80 |
2 |
2 |
5 |
6 |
2 |
0 |
0 |
|
|
3 |
 |
1.92 |
2.06 |
33.0 |
-0.76 |
0.10 |
12.3 |
65 |
3 |
1 |
1 |
4 |
2 |
1 |
0 |
8OG 1 G DA 2 G DC 25 H
|
|
4 |
 |
1.47 |
1.88 |
33.2 |
-1.43 |
-0.26 |
14.7 |
73 |
1 |
1 |
0 |
1 |
2 |
0 |
0 |
DA 7 G DG 8 G DT 9 G DG 14 H
|
|
5 |
 |
2.49 |
2.69 |
39.0 |
-1.06 |
-0.22 |
13.1 |
75 |
2 |
2 |
1 |
3 |
2 |
0 |
0 |
8OG 1 E DA 2 E DC 3 E DA 4 E DA 17 F DC 18 F DT
19 F
|
|
6 |
 |
2.72 |
2.80 |
40.3 |
-0.96 |
-0.20 |
10.8 |
75 |
3 |
2 |
1 |
3 |
2 |
0 |
0 |
8OG 1 G DA 2 G DC 3 G DA 4 G DT 5 G DA 17 H DC 18
H DT 19 H
|
|
7 |
 |
1.90 |
1.98 |
46.3 |
-2.12 |
-0.48 |
25.2 |
74 |
6 |
2 |
2 |
2 |
0 |
1 |
0 |
8OG 1 G DA 2 G DC 3 G DC 18 H DT 19 H DC 25 H
|
|
8 |
 |
1.90 |
1.99 |
47.7 |
-1.67 |
-0.54 |
18.4 |
77 |
7 |
1 |
2 |
2 |
0 |
1 |
0 |
8OG 1 G DA 2 G DC 3 G DA 4 G DT 5 G DA 17 H DC 18
H DT 19 H DC 25 H
|
|
9 |
 |
2.38 |
3.87 |
57.6 |
-1.09 |
-0.38 |
17.0 |
81 |
5 |
6 |
3 |
7 |
2 |
3 |
0 |
DA 4 E DT 5 E
|
|
10 |
 |
2.69 |
3.32 |
57.8 |
-2.32 |
-0.74 |
22.9 |
79 |
6 |
4 |
3 |
1 |
1 |
1 |
0 |
DA 4 G DA 17 H DC 18 H DT 19 H
|
|
11 |
 |
1.58 |
1.60 |
88.9 |
-2.21 |
-0.36 |
25.7 |
73 |
5 |
5 |
3 |
2 |
4 |
1 |
0 |
DT 5 G DG 6 G DA 7 G DG 8 G DT 9 G DG 14 H DC 16
H DC 18 H
|
|
12 |
|
2.20 |
3.60 |
95.0 |
-1.89 |
-0.61 |
22.7 |
81 |
9 |
9 |
3 |
4 |
2 |
2 |
0 |
DA 4 E DA 17 F DC 18 F DT 19 F
|
|
13 |
|
2.33 |
2.55 |
96.9 |
-1.31 |
-0.51 |
18.9 |
84 |
8 |
9 |
3 |
7 |
0 |
4 |
0 |
DA 4 E DT 5 E DA 4 G DT 5 G DG 6 G DA 17 H
|
 |
14 |
|
1.52 |
1.49 |
118.8 |
-1.35 |
-0.47 |
19.2 |
83 |
10 |
10 |
7 |
9 |
0 |
2 |
0 |
DC 3 E DA 4 E DC 18 F DT 19 F DC 20 F DA 21 F DT
22 F
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
 |
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
|
|
|
|
MOLE 2.0 program