 |
PDBsum entry 4b6a
|
|
|
|
 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
 |
|
|
|
|
|
|
|
|
|
|
Pore analysis for: 4b6a calculated with MOLE 2.0
|
PDB id
|
|
|
|
4b6a
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
Pores calculated on whole structure |
 |
Pores calculated excluding ligands
|
|
|
 |
 |
 |
 |
 |
|
 |
|
|
|
 |
 |
|
 |
|
|
|
 |
49 pores,
coloured by radius |
 |
54 pores,
coloured by radius
|
54 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 |
 |
3.47 |
4.92 |
26.7 |
-2.37 |
-0.49 |
30.4 |
88 |
 |
5 |
1 |
1 |
2 |
0 |
0 |
0 |
 |
|
 |
 |
2 |
 |
1.25 |
1.25 |
45.4 |
-0.88 |
-0.07 |
23.6 |
90 |
6 |
1 |
1 |
7 |
0 |
0 |
0 |
|
 |
3 |
 |
3.10 |
4.12 |
62.3 |
-1.44 |
0.05 |
23.4 |
68 |
10 |
0 |
0 |
2 |
3 |
4 |
0 |
|
 |
4 |
 |
2.20 |
2.27 |
69.4 |
-2.58 |
-0.44 |
21.9 |
73 |
8 |
1 |
5 |
0 |
3 |
1 |
0 |
|
 |
5 |
 |
2.29 |
2.92 |
76.5 |
-2.55 |
-0.42 |
24.8 |
82 |
11 |
2 |
8 |
2 |
2 |
2 |
0 |
|
 |
6 |
 |
2.23 |
2.23 |
79.9 |
-1.77 |
-0.45 |
19.3 |
83 |
12 |
1 |
7 |
4 |
2 |
3 |
0 |
|
 |
7 |
 |
1.26 |
1.25 |
96.9 |
-1.61 |
-0.26 |
19.8 |
83 |
11 |
2 |
4 |
5 |
3 |
1 |
0 |
|
 |
8 |
 |
2.36 |
3.04 |
102.4 |
-1.98 |
-0.35 |
24.2 |
84 |
15 |
3 |
5 |
6 |
2 |
2 |
0 |
|
 |
9 |
 |
2.15 |
2.15 |
107.1 |
-2.03 |
-0.54 |
21.3 |
84 |
13 |
1 |
11 |
5 |
1 |
2 |
0 |
|
 |
10 |
 |
1.26 |
1.26 |
113.9 |
-1.93 |
-0.17 |
23.9 |
83 |
12 |
2 |
3 |
5 |
3 |
1 |
0 |
|
 |
11 |
 |
1.22 |
1.25 |
147.1 |
-1.84 |
-0.38 |
23.5 |
87 |
18 |
3 |
11 |
8 |
1 |
1 |
0 |
|
 |
12 |
 |
1.17 |
1.59 |
198.5 |
-1.66 |
-0.28 |
21.4 |
83 |
23 |
7 |
11 |
14 |
5 |
2 |
0 |
|
 |
13 |
 |
1.16 |
1.58 |
212.8 |
-1.68 |
-0.28 |
20.9 |
81 |
25 |
6 |
13 |
13 |
7 |
3 |
0 |
|
 |
14 |
 |
1.44 |
2.24 |
45.6 |
-0.88 |
-0.39 |
12.8 |
81 |
2 |
5 |
3 |
5 |
0 |
2 |
0 |
|
 |
15 |
 |
1.33 |
1.53 |
70.1 |
-1.57 |
-0.19 |
23.1 |
76 |
9 |
3 |
2 |
6 |
2 |
1 |
0 |
|
 |
16 |
 |
1.68 |
1.84 |
78.3 |
-1.60 |
-0.50 |
19.6 |
86 |
3 |
2 |
3 |
1 |
1 |
0 |
0 |
|
 |
17 |
 |
1.20 |
1.60 |
98.9 |
-1.24 |
-0.30 |
18.1 |
80 |
11 |
6 |
7 |
8 |
2 |
1 |
0 |
|
 |
18 |
 |
1.07 |
3.65 |
193.8 |
-0.49 |
-0.02 |
14.4 |
74 |
8 |
7 |
5 |
14 |
8 |
0 |
1 |
|
 |
19 |
 |
1.26 |
1.27 |
26.1 |
-2.10 |
-0.60 |
25.3 |
87 |
6 |
1 |
0 |
0 |
0 |
0 |
0 |
|
 |
20 |
 |
2.72 |
2.75 |
26.3 |
-0.94 |
-0.32 |
17.4 |
76 |
4 |
1 |
2 |
1 |
3 |
1 |
0 |
|
 |
21 |
 |
3.87 |
5.60 |
32.4 |
-2.25 |
-0.53 |
25.5 |
80 |
4 |
1 |
2 |
1 |
2 |
0 |
0 |
|
 |
22 |
 |
3.71 |
4.66 |
33.5 |
-2.71 |
-0.52 |
33.1 |
79 |
6 |
1 |
0 |
0 |
1 |
0 |
0 |
|
 |
23 |
 |
3.55 |
3.76 |
34.0 |
-2.84 |
-0.45 |
31.4 |
76 |
6 |
1 |
3 |
1 |
3 |
1 |
0 |
|
 |
24 |
 |
3.43 |
3.43 |
40.2 |
-2.83 |
-0.18 |
30.2 |
72 |
8 |
1 |
2 |
1 |
4 |
0 |
0 |
|
 |
25 |
 |
1.81 |
1.87 |
41.9 |
-2.38 |
-0.27 |
30.6 |
80 |
5 |
1 |
2 |
2 |
2 |
0 |
0 |
|
 |
26 |
 |
1.81 |
1.87 |
42.4 |
-3.00 |
-0.28 |
36.6 |
72 |
7 |
1 |
1 |
1 |
3 |
0 |
0 |
|
 |
27 |
 |
3.55 |
5.28 |
42.9 |
-2.54 |
-0.20 |
28.8 |
78 |
7 |
1 |
3 |
2 |
3 |
0 |
0 |
|
 |
28 |
 |
3.54 |
3.62 |
43.6 |
-1.73 |
-0.26 |
18.7 |
75 |
5 |
1 |
2 |
1 |
2 |
0 |
0 |
|
 |
29 |
 |
3.12 |
3.42 |
46.6 |
-2.48 |
-0.55 |
30.4 |
83 |
9 |
3 |
3 |
2 |
1 |
0 |
0 |
|
 |
30 |
 |
3.12 |
3.28 |
47.0 |
-2.26 |
-0.20 |
30.4 |
77 |
10 |
2 |
2 |
2 |
2 |
0 |
1 |
|
 |
31 |
 |
3.45 |
6.69 |
48.9 |
-2.21 |
-0.19 |
27.3 |
78 |
7 |
1 |
4 |
2 |
4 |
1 |
0 |
|
 |
32 |
 |
1.81 |
1.87 |
49.9 |
-2.73 |
-0.33 |
36.3 |
80 |
10 |
3 |
0 |
2 |
1 |
0 |
0 |
|
 |
33 |
 |
3.44 |
3.43 |
55.0 |
-2.20 |
0.01 |
26.1 |
75 |
9 |
1 |
3 |
2 |
5 |
0 |
0 |
|
 |
34 |
 |
1.81 |
1.87 |
57.3 |
-2.29 |
-0.05 |
30.6 |
75 |
8 |
1 |
2 |
2 |
4 |
0 |
0 |
|
 |
35 |
 |
2.54 |
3.45 |
58.4 |
-1.83 |
-0.12 |
25.7 |
75 |
10 |
1 |
4 |
1 |
4 |
1 |
2 |
|
 |
36 |
 |
2.84 |
4.20 |
86.2 |
-2.75 |
-0.47 |
32.6 |
79 |
17 |
3 |
5 |
2 |
2 |
0 |
2 |
|
 |
37 |
 |
1.47 |
2.76 |
26.5 |
-2.67 |
-0.62 |
32.2 |
86 |
4 |
3 |
3 |
2 |
1 |
0 |
0 |
|
 |
38 |
 |
1.15 |
1.16 |
31.0 |
-0.75 |
0.20 |
16.9 |
75 |
5 |
2 |
1 |
4 |
4 |
0 |
0 |
|
 |
39 |
 |
1.22 |
1.26 |
34.1 |
0.41 |
0.38 |
18.2 |
87 |
6 |
2 |
1 |
5 |
0 |
0 |
0 |
|
 |
40 |
 |
1.58 |
1.98 |
67.6 |
-2.17 |
-0.24 |
28.1 |
72 |
13 |
0 |
1 |
2 |
4 |
0 |
0 |
|
 |
41 |
 |
2.35 |
2.64 |
70.4 |
-2.68 |
-0.42 |
28.8 |
74 |
13 |
0 |
2 |
1 |
4 |
0 |
0 |
|
 |
42 |
 |
1.12 |
1.28 |
169.2 |
-1.05 |
-0.22 |
21.2 |
77 |
15 |
10 |
5 |
15 |
3 |
2 |
0 |
|
 |
43 |
 |
1.30 |
1.32 |
49.8 |
-0.80 |
-0.21 |
15.8 |
89 |
7 |
1 |
2 |
3 |
0 |
0 |
1 |
|
 |
44 |
 |
1.86 |
2.03 |
72.6 |
-1.81 |
-0.20 |
22.5 |
82 |
10 |
1 |
4 |
3 |
3 |
1 |
1 |
|
 |
45 |
 |
1.26 |
1.41 |
84.9 |
-1.50 |
-0.17 |
21.9 |
85 |
9 |
1 |
3 |
5 |
2 |
0 |
1 |
|
 |
46 |
 |
1.56 |
1.56 |
30.8 |
-0.40 |
-0.80 |
3.4 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
UNK 201 q UNK 208 q UNK 209 q UNK 1 r UNK 2 r UNK 3 r UNK 6 r UNK 7 r UNK 17 r UNK 22 r UNK 26 r UNK 31 r UNK 32 r UNK 33 r UNK 38 r UNK 40 r UNK 41 r UNK 45 r
|
 |
47 |
 |
1.13 |
1.12 |
75.3 |
0.31 |
-0.09 |
6.0 |
80 |
2 |
0 |
3 |
6 |
3 |
0 |
0 |
UNK 6 r UNK 7 r UNK 11 r UNK 15 r UNK 17 r UNK 18 r UNK 19 r UNK 22 r UNK 23 r UNK 26 r UNK 27 r UNK 32 r UNK 33 r UNK 34 r UNK 35 r UNK 38 r UNK 41 r UNK 42 r UNK 45 r UNK 46 r UNK 47 r
|
 |
48 |
 |
1.87 |
3.48 |
32.0 |
-2.23 |
-0.43 |
28.3 |
82 |
6 |
1 |
1 |
2 |
0 |
1 |
0 |
|
 |
49 |
 |
1.69 |
1.98 |
85.9 |
-1.47 |
-0.50 |
17.8 |
85 |
6 |
2 |
5 |
6 |
1 |
1 |
0 |
|
 |
50 |
 |
1.12 |
1.12 |
95.4 |
-0.40 |
-0.80 |
3.4 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
UNK 49 K UNK 54 K UNK 58 K UNK 78 K UNK 79 K UNK 81 K UNK 82 K UNK 83 K UNK 84 K UNK 85 K UNK 98 K UNK 106 K UNK 108 K UNK 109 K UNK 110 K UNK 111 K UNK 112 K UNK 113 K UNK 114 K UNK 115 K UNK 116 K UNK 117 K UNK 118 K UNK 119 K UNK 120 K UNK 121 K UNK 125 K UNK 129 K UNK 136 K UNK 137 K UNK 138 K UNK 139 K UNK 140 K UNK 160 K UNK 161 K UNK 162 K UNK 163 K
|
 |
51 |
 |
1.36 |
1.61 |
30.0 |
-0.69 |
-0.19 |
13.6 |
88 |
5 |
0 |
1 |
4 |
0 |
0 |
0 |
|
 |
52 |
 |
1.35 |
1.60 |
31.3 |
-0.93 |
-0.20 |
16.1 |
83 |
6 |
0 |
1 |
4 |
0 |
0 |
0 |
|
 |
53 |
 |
1.35 |
1.63 |
35.7 |
-1.05 |
-0.25 |
16.6 |
87 |
7 |
0 |
2 |
5 |
0 |
0 |
0 |
|
 |
54 |
 |
1.16 |
1.58 |
25.8 |
-1.19 |
-0.33 |
16.3 |
78 |
4 |
2 |
0 |
1 |
2 |
0 |
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
|
|
|
 |