Chain sequence(s) |
A: QAQLVQSGAELRGPGASVNISCKATGYDFTRNYIHWVRRAPGQGLEWMGTIDPSGAHESYAQKFRDRVSMTSDTITTTVYMELESLTSADMAVYFCARGGTNFYSNWFDSWGQGTLVIVSS
B: QSALAQPASVSGSPGQSVTISCTGTTNGIVNYRPISWYQQYPGKAPTLLIYEGSKRPSGVSNRFAASQSGNTASLTISGLQAEDEAEYFCCAYVETSLWVFGGGSKLTVL input PDB |
Selected Chain(s) | A,B |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
pH calculations | No |
alphaCutter usage | No |
Dynamic mode | No |
Automated mutations | No |
Downloads | Download all the data |
Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:00) [INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00) [INFO] runJob: Creating pdb object from: input.pdb (00:00:00) [INFO] FoldX: Starting FoldX energy minimization (00:00:00) [INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:01:43) [INFO] Main: Simulation completed successfully. (00:01:44) |
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
residue index | residue name | chain | Aggrescan4D score | mutation |
---|---|---|---|---|
1 | Q | A | -1.6049 | |
2 | A | A | -1.6168 | |
3 | Q | A | -1.6180 | |
4 | L | A | 0.0000 | |
5 | V | A | 0.1372 | |
6 | Q | A | 0.0000 | |
7 | S | A | -0.3895 | |
8 | G | A | -0.4475 | |
9 | A | A | 0.4030 | |
10 | E | A | 0.4698 | |
11 | L | A | 1.4210 | |
12 | R | A | -0.0079 | |
13 | G | A | -0.4739 | |
14 | P | A | -0.9870 | |
15 | G | A | -1.1566 | |
16 | A | A | -0.8180 | |
17 | S | A | -1.5261 | |
18 | V | A | 0.0000 | |
19 | N | A | -1.4837 | |
20 | I | A | 0.0000 | |
21 | S | A | -0.3961 | |
22 | C | A | 0.0000 | |
23 | K | A | -0.8879 | |
24 | A | A | 0.0000 | |
25 | T | A | -1.1505 | |
26 | G | A | -1.4517 | |
27 | Y | A | -1.6045 | |
28 | D | A | -2.3655 | |
29 | F | A | 0.0000 | |
30 | T | A | -1.7124 | |
31 | R | A | -2.6507 | |
32 | N | A | 0.0000 | |
33 | Y | A | 0.0000 | |
34 | I | A | 0.0000 | |
35 | H | A | 0.0000 | |
36 | W | A | 0.0000 | |
37 | V | A | 0.0000 | |
38 | R | A | 0.0000 | |
39 | R | A | -0.6319 | |
40 | A | A | -0.6154 | |
41 | P | A | -0.8265 | |
42 | G | A | -1.2514 | |
43 | Q | A | -1.7885 | |
44 | G | A | -1.2248 | |
45 | L | A | 0.0000 | |
46 | E | A | -0.6586 | |
47 | W | A | 0.0000 | |
48 | M | A | 0.0000 | |
49 | G | A | 0.0000 | |
50 | T | A | 0.0000 | |
51 | I | A | 0.0000 | |
52 | D | A | -1.4561 | |
53 | P | A | 0.0000 | |
54 | S | A | -1.0260 | |
55 | G | A | -1.1351 | |
56 | A | A | -0.8501 | |
57 | H | A | -1.4208 | |
58 | E | A | -1.7872 | |
59 | S | A | 0.0000 | |
60 | Y | A | -1.5593 | |
61 | A | A | 0.0000 | |
62 | Q | A | -2.8390 | |
63 | K | A | -3.0885 | |
64 | F | A | 0.0000 | |
65 | R | A | -3.5351 | |
66 | D | A | -3.5206 | |
67 | R | A | -2.7801 | |
68 | V | A | 0.0000 | |
69 | S | A | -1.5703 | |
70 | M | A | 0.0000 | |
71 | T | A | -0.6149 | |
72 | S | A | -0.2851 | |
73 | D | A | -0.0753 | |
74 | T | A | 0.5414 | |
75 | I | A | 1.8021 | |
76 | T | A | 0.5675 | |
77 | T | A | -0.0942 | |
78 | T | A | 0.0000 | |
79 | V | A | 0.0000 | |
80 | Y | A | -0.3826 | |
81 | M | A | 0.0000 | |
82 | E | A | -1.9003 | |
83 | L | A | 0.0000 | |
84 | E | A | -2.5158 | |
85 | S | A | -1.5053 | |
86 | L | A | 0.0000 | |
87 | T | A | -0.5977 | |
88 | S | A | -0.2869 | |
89 | A | A | 0.0327 | |
90 | D | A | 0.0000 | |
91 | M | A | 0.6146 | |
92 | A | A | 0.0000 | |
93 | V | A | 0.4101 | |
94 | Y | A | 0.0000 | |
95 | F | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | R | A | -0.4910 | |
99 | G | A | 0.0000 | |
100 | G | A | 0.0000 | |
101 | T | A | -1.0719 | |
102 | N | A | -1.0719 | |
103 | F | A | -0.0871 | |
104 | Y | A | 0.7862 | |
105 | S | A | 0.1545 | |
106 | N | A | 0.0719 | |
107 | W | A | 0.0344 | |
108 | F | A | 0.0000 | |
109 | D | A | -0.5956 | |
110 | S | A | -0.8529 | |
111 | W | A | -0.4349 | |
112 | G | A | 0.0000 | |
113 | Q | A | -1.4107 | |
114 | G | A | -0.6223 | |
115 | T | A | 0.0000 | |
116 | L | A | 0.9274 | |
117 | V | A | 0.0000 | |
118 | I | A | 1.1715 | |
119 | V | A | 0.0000 | |
120 | S | A | -0.0808 | |
121 | S | A | -0.4355 | |
1 | Q | B | -1.3077 | |
2 | S | B | -0.7771 | |
3 | A | B | -0.5186 | |
4 | L | B | 0.0000 | |
5 | A | B | -0.4492 | |
6 | Q | B | -0.4573 | |
7 | P | B | -0.3792 | |
8 | A | B | -0.4317 | |
9 | S | B | -0.5465 | |
10 | V | B | -0.2983 | |
11 | S | B | -0.0856 | |
12 | G | B | -0.3190 | |
13 | S | B | -0.3116 | |
14 | P | B | -0.9964 | |
15 | G | B | -1.4449 | |
16 | Q | B | -1.7604 | |
17 | S | B | -1.1341 | |
18 | V | B | -0.3523 | |
19 | T | B | -0.0778 | |
20 | I | B | 0.0000 | |
21 | S | B | -0.2568 | |
22 | C | B | 0.0000 | |
23 | T | B | -0.5141 | |
24 | G | B | 0.0000 | |
25 | T | B | -0.6642 | |
26 | T | B | -0.9209 | |
27 | N | B | -1.5874 | |
28 | G | B | -1.1977 | |
29 | I | B | 0.0000 | |
30 | V | B | 0.0000 | |
31 | N | B | -1.3557 | |
32 | Y | B | 0.3466 | |
33 | R | B | -0.1807 | |
34 | P | B | -0.4449 | |
35 | I | B | 0.0000 | |
36 | S | B | 0.0000 | |
37 | W | B | 0.0000 | |
38 | Y | B | 0.0000 | |
39 | Q | B | 0.0000 | |
40 | Q | B | 0.0000 | |
41 | Y | B | -0.9868 | |
42 | P | B | -0.9912 | |
43 | G | B | -1.4055 | |
44 | K | B | -2.1062 | |
45 | A | B | -1.1943 | |
46 | P | B | 0.0000 | |
47 | T | B | -0.2772 | |
48 | L | B | 0.0000 | |
49 | L | B | 0.0000 | |
50 | I | B | 0.0000 | |
51 | Y | B | -1.0271 | |
52 | E | B | -1.3805 | |
53 | G | B | 0.0000 | |
54 | S | B | -1.4324 | |
55 | K | B | -2.2781 | |
56 | R | B | -2.0766 | |
57 | P | B | -1.0731 | |
58 | S | B | -0.7847 | |
59 | G | B | -0.7626 | |
60 | V | B | -0.8255 | |
61 | S | B | -1.0176 | |
62 | N | B | -1.6703 | |
63 | R | B | -1.1695 | |
64 | F | B | 0.0000 | |
65 | A | B | -0.8988 | |
66 | A | B | 0.0000 | |
67 | S | B | -0.8089 | |
68 | Q | B | -1.0006 | |
69 | S | B | -0.9027 | |
70 | G | B | -1.1239 | |
71 | N | B | -1.2863 | |
72 | T | B | -0.8725 | |
73 | A | B | 0.0000 | |
74 | S | B | -0.3454 | |
75 | L | B | 0.0000 | |
76 | T | B | -0.2056 | |
77 | I | B | 0.0000 | |
78 | S | B | -1.1168 | |
79 | G | B | -1.1870 | |
80 | L | B | 0.0000 | |
81 | Q | B | -1.7590 | |
82 | A | B | -1.2815 | |
83 | E | B | -2.3239 | |
84 | D | B | 0.0000 | |
85 | E | B | -1.6707 | |
86 | A | B | 0.0000 | |
87 | E | B | -0.8639 | |
88 | Y | B | 0.0000 | |
89 | F | B | 0.0000 | |
90 | C | B | 0.0000 | |
91 | C | B | 0.0000 | |
92 | A | B | 0.0000 | |
93 | Y | B | 0.1160 | |
94 | V | B | -0.2769 | |
95 | E | B | -1.4006 | |
96 | T | B | -0.5462 | |
97 | S | B | 0.0000 | |
98 | L | B | -0.1636 | |
99 | W | B | 0.0000 | |
100 | V | B | 0.0450 | |
101 | F | B | 0.0000 | |
102 | G | B | 0.0000 | |
103 | G | B | -1.0610 | |
104 | G | B | -0.8114 | |
105 | S | B | 0.0000 | |
106 | K | B | -1.2321 | |
107 | L | B | 0.0000 | |
108 | T | B | -0.3770 | |
109 | V | B | -0.1771 | |
110 | L | B | 1.2910 |