 |
PDBsum entry 4ai6
|
|
|
|
 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
|
|
|
|
|
|
|
|
|
|
Pore analysis for: 4ai6 calculated with MOLE 2.0
|
PDB id
|
|
|
|
4ai6
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
Pores calculated on whole structure |
 |
Pores calculated excluding ligands
|
|
|
 |
 |
 |
 |
 |
|
 |
|
|
|
 |
 |
|
 |
|
|
|
 |
42 pores,
coloured by radius |
 |
42 pores,
coloured by radius
|
42 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 |
 |
2.24 |
2.38 |
41.2 |
1.15 |
0.27 |
9.7 |
74 |
 |
5 |
4 |
1 |
10 |
0 |
2 |
1 |
 |
|
 |
 |
2 |
 |
1.27 |
1.27 |
42.2 |
0.34 |
0.06 |
14.8 |
72 |
4 |
2 |
2 |
6 |
2 |
1 |
0 |
|
 |
3 |
 |
3.83 |
4.35 |
46.1 |
-2.70 |
-0.61 |
27.4 |
84 |
7 |
5 |
7 |
3 |
0 |
3 |
0 |
|
 |
4 |
 |
1.27 |
1.44 |
76.5 |
-1.67 |
-0.49 |
19.6 |
86 |
10 |
6 |
10 |
8 |
2 |
2 |
0 |
|
 |
5 |
 |
1.26 |
1.26 |
98.5 |
-1.82 |
-0.50 |
22.8 |
85 |
13 |
9 |
11 |
11 |
2 |
3 |
0 |
|
 |
6 |
 |
1.68 |
1.72 |
109.6 |
-0.61 |
-0.14 |
19.0 |
81 |
10 |
12 |
4 |
14 |
5 |
0 |
0 |
|
 |
7 |
 |
1.22 |
1.22 |
127.7 |
-1.26 |
-0.50 |
14.8 |
83 |
18 |
10 |
18 |
15 |
5 |
5 |
1 |
|
 |
8 |
 |
2.19 |
2.40 |
132.8 |
-1.79 |
-0.54 |
17.3 |
84 |
12 |
9 |
18 |
7 |
4 |
10 |
0 |
|
 |
9 |
 |
1.12 |
1.30 |
150.1 |
-1.11 |
-0.20 |
17.0 |
85 |
16 |
7 |
12 |
18 |
7 |
12 |
1 |
ADP 5401 B
|
 |
10 |
 |
1.37 |
2.48 |
167.3 |
-1.15 |
-0.22 |
20.4 |
78 |
16 |
11 |
9 |
20 |
6 |
7 |
0 |
|
 |
11 |
 |
1.39 |
3.75 |
165.8 |
-1.01 |
-0.14 |
22.1 |
82 |
14 |
11 |
10 |
14 |
2 |
1 |
0 |
|
 |
12 |
 |
1.72 |
1.73 |
176.7 |
-1.83 |
-0.37 |
22.9 |
83 |
20 |
15 |
12 |
9 |
6 |
10 |
0 |
|
 |
13 |
 |
1.35 |
1.69 |
180.2 |
-1.65 |
-0.38 |
19.6 |
82 |
21 |
14 |
18 |
9 |
7 |
14 |
0 |
ADP 5401 A SO4 5403 A
|
 |
14 |
 |
1.56 |
1.60 |
187.3 |
-1.63 |
-0.49 |
18.8 |
82 |
19 |
19 |
17 |
14 |
7 |
11 |
0 |
|
 |
15 |
 |
1.70 |
1.68 |
192.8 |
-0.43 |
-0.04 |
19.1 |
75 |
18 |
24 |
2 |
30 |
8 |
3 |
1 |
|
 |
16 |
 |
1.28 |
2.20 |
198.3 |
-1.44 |
-0.32 |
19.9 |
83 |
21 |
14 |
21 |
13 |
9 |
14 |
0 |
ADP 5401 A
|
 |
17 |
 |
1.27 |
2.06 |
200.7 |
-1.32 |
-0.42 |
17.0 |
82 |
19 |
15 |
25 |
16 |
9 |
15 |
0 |
ADP 5401 A
|
 |
18 |
 |
1.39 |
2.48 |
202.4 |
-1.16 |
-0.27 |
18.6 |
83 |
16 |
13 |
15 |
22 |
3 |
7 |
0 |
|
 |
19 |
 |
0.92 |
1.30 |
214.5 |
-1.51 |
-0.35 |
17.5 |
82 |
13 |
9 |
15 |
8 |
9 |
11 |
1 |
|
 |
20 |
 |
1.47 |
4.04 |
222.1 |
-1.23 |
-0.26 |
20.3 |
77 |
19 |
17 |
14 |
19 |
7 |
9 |
0 |
|
 |
21 |
 |
0.89 |
0.77 |
235.4 |
-0.04 |
0.13 |
9.7 |
79 |
13 |
10 |
18 |
28 |
13 |
6 |
0 |
ADP 5401 A
|
 |
22 |
 |
1.06 |
1.34 |
233.0 |
-1.47 |
-0.40 |
15.3 |
89 |
13 |
10 |
24 |
11 |
5 |
11 |
1 |
|
 |
23 |
 |
1.20 |
1.35 |
283.1 |
-1.90 |
-0.49 |
21.7 |
83 |
31 |
21 |
27 |
18 |
9 |
15 |
0 |
|
 |
24 |
 |
1.36 |
1.87 |
291.7 |
-0.93 |
-0.13 |
20.9 |
78 |
24 |
21 |
12 |
35 |
6 |
6 |
0 |
|
 |
25 |
 |
2.07 |
2.24 |
286.0 |
-0.92 |
-0.23 |
17.4 |
77 |
28 |
29 |
15 |
29 |
12 |
15 |
1 |
SO4 5403 A
|
 |
26 |
 |
1.22 |
1.21 |
322.3 |
-1.06 |
-0.21 |
18.0 |
81 |
21 |
18 |
20 |
23 |
8 |
10 |
1 |
|
 |
27 |
 |
2.62 |
4.23 |
26.3 |
-0.66 |
0.06 |
19.8 |
84 |
3 |
4 |
3 |
6 |
1 |
0 |
0 |
|
 |
28 |
 |
1.16 |
1.16 |
26.3 |
-0.70 |
-0.31 |
12.1 |
88 |
4 |
0 |
6 |
7 |
1 |
1 |
0 |
|
 |
29 |
 |
1.89 |
2.04 |
28.6 |
-1.11 |
-0.60 |
13.7 |
87 |
0 |
4 |
5 |
4 |
0 |
3 |
0 |
|
 |
30 |
 |
1.47 |
2.07 |
41.0 |
-1.76 |
-0.27 |
16.9 |
78 |
11 |
3 |
6 |
6 |
2 |
3 |
0 |
|
 |
31 |
 |
1.23 |
1.23 |
41.3 |
-0.97 |
-0.17 |
18.4 |
84 |
6 |
6 |
3 |
5 |
1 |
3 |
0 |
|
 |
32 |
 |
2.01 |
3.79 |
46.2 |
-2.75 |
-0.47 |
29.4 |
79 |
9 |
5 |
5 |
1 |
3 |
1 |
0 |
|
 |
33 |
 |
4.28 |
4.80 |
46.4 |
-2.65 |
-0.63 |
28.7 |
79 |
6 |
9 |
3 |
2 |
0 |
5 |
0 |
|
 |
34 |
 |
1.14 |
1.53 |
47.4 |
-0.44 |
-0.09 |
10.1 |
79 |
5 |
2 |
5 |
12 |
3 |
2 |
0 |
|
 |
35 |
 |
1.86 |
2.04 |
61.3 |
-1.20 |
-0.42 |
13.1 |
84 |
1 |
7 |
9 |
7 |
2 |
5 |
0 |
|
 |
36 |
 |
1.95 |
2.09 |
65.1 |
-1.75 |
-0.32 |
22.7 |
82 |
8 |
7 |
4 |
10 |
2 |
0 |
0 |
|
 |
37 |
 |
1.47 |
2.01 |
68.0 |
-2.43 |
-0.54 |
28.6 |
82 |
12 |
11 |
7 |
6 |
2 |
4 |
0 |
SO4 5403 B
|
 |
38 |
 |
2.41 |
2.41 |
69.4 |
-2.52 |
-0.60 |
27.5 |
85 |
8 |
12 |
6 |
3 |
1 |
5 |
0 |
SO4 5403 B
|
 |
39 |
 |
1.76 |
1.73 |
91.1 |
-2.21 |
-0.53 |
21.8 |
77 |
11 |
7 |
7 |
6 |
2 |
9 |
0 |
|
 |
40 |
 |
1.95 |
2.35 |
91.8 |
-1.05 |
-0.44 |
9.4 |
82 |
3 |
6 |
12 |
13 |
2 |
9 |
0 |
|
 |
41 |
 |
2.01 |
2.47 |
100.6 |
-1.35 |
-0.34 |
13.2 |
82 |
6 |
5 |
11 |
11 |
2 |
9 |
0 |
|
 |
42 |
 |
1.10 |
1.61 |
25.1 |
-0.98 |
0.06 |
10.1 |
76 |
2 |
1 |
1 |
4 |
4 |
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
|
|
|
 |