Chain sequence(s) |
A: VQLQASGGGFVQPGGSLRLSCAASGTTSFGDTMGWFRQAPGKEREFVSAISRQDDSHYYADSVKGRFTISRDNSKNTVYLQMNSLRAEDTATYYCAEWMNTRREFITPYWGQGTQVTVSS
C: GKPIPNPLLGLDST B: VQLQASSGGGFVQPGGSLRLSCAASGTTSFGDTMGWFRQAPGKEREFVSAISRQDDSHYYADSVKGRFTISRDNSKNTVYLQMNSLRAEDTATYYCAEWMNTRRREFITPYWGQGTQVTVSS E: GKPIPNPLLGLDST D: VQLQASSGGGFVQPGGSLRLSCAASGTTSFGDTMGWFRQAPGKEREFVSAISRQDDSHYYADSVKGRFTISRDNSKNTVYLQMNSLRAEDTATYYCAEWMNTRREFITPYWGQGTQVTVSS G: VQLQASGGGFVQPGGSLRLSCAASGTTSFGDTMGWFRQAPGKEREFVSAISRDDSHYYADSVKGRFTISRDNSKNTVYLQMNSLRAEDTATYYCAEWMNTRRREFITPYWGQGTQVTVSS F: GKPIPNPLLGLDST H: GKPIPNPLLGLDST input PDB |
Selected Chain(s) | A,C,B,E,D,G,F,H |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Downloads | Download all the data |
Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:01) [INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01) [INFO] runJob: Creating pdb object from: input.pdb (00:00:01) [INFO] FoldX: Starting FoldX energy minimalization (00:00:01) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:27) [INFO] Main: Simulation completed successfully. (00:05:32) |
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
residue index | residue name | chain | Aggrescan3D score | mutation |
---|---|---|---|---|
residue index | residue name | chain | Aggrescan3D score | |
4 | V | A | 1.1861 | |
5 | Q | A | -0.5421 | |
6 | L | A | 0.0000 | |
7 | Q | A | -0.9927 | |
8 | A | A | 0.0000 | |
9 | S | A | -0.8838 | |
10 | G | A | -1.0774 | |
11 | G | A | -0.4234 | |
12 | G | A | 0.5544 | |
13 | F | A | 1.4805 | |
14 | V | A | 0.0000 | |
15 | Q | A | -1.3289 | |
16 | P | A | -1.5503 | |
17 | G | A | -1.3114 | |
18 | G | A | -0.8491 | |
19 | S | A | -1.2824 | |
20 | L | A | -0.9782 | |
21 | R | A | -2.2711 | |
22 | L | A | 0.0000 | |
23 | S | A | -0.8796 | |
24 | C | A | 0.0000 | |
25 | A | A | -1.2803 | |
26 | A | A | -1.0251 | |
27 | S | A | -0.8472 | |
28 | G | A | -1.2583 | |
29 | T | A | -0.4826 | |
30 | T | A | -0.1962 | |
31 | S | A | -0.1847 | |
32 | F | A | 0.6180 | |
33 | G | A | -0.1232 | |
34 | D | A | -0.8399 | |
35 | T | A | 0.0000 | |
36 | M | A | 0.0000 | |
37 | G | A | 0.0000 | |
38 | W | A | 0.0000 | |
39 | F | A | 0.0000 | |
40 | R | A | 0.0000 | |
41 | Q | A | 0.0000 | |
42 | A | A | -1.4042 | |
43 | P | A | -1.0969 | |
44 | G | A | -1.8953 | |
45 | K | A | -3.2439 | |
46 | E | A | -3.4445 | |
47 | R | A | -2.6392 | |
48 | E | A | -1.5446 | |
49 | F | A | -0.5834 | |
50 | V | A | 0.0000 | |
51 | S | A | 0.0000 | |
52 | A | A | 0.0000 | |
53 | I | A | 0.0000 | |
54 | S | A | 0.0000 | |
55 | R | A | -2.7808 | |
56 | Q | A | -2.9603 | |
58 | D | A | -3.1495 | |
59 | D | A | -2.4836 | |
60 | S | A | -1.7674 | |
61 | H | A | -0.9864 | |
62 | Y | A | 0.0000 | |
63 | Y | A | -1.1872 | |
64 | A | A | -1.4829 | |
65 | D | A | -2.3609 | |
66 | S | A | -1.5979 | |
67 | V | A | 0.0000 | |
68 | K | A | -2.6494 | |
69 | G | A | -1.7840 | |
70 | R | A | -1.4168 | |
71 | F | A | 0.0000 | |
72 | T | A | -1.0186 | |
73 | I | A | 0.0000 | |
74 | S | A | -0.8279 | |
75 | R | A | -1.6362 | |
76 | D | A | -2.2747 | |
77 | N | A | -2.6558 | |
78 | S | A | -2.1663 | |
79 | K | A | -2.9385 | |
80 | N | A | -2.5783 | |
81 | T | A | 0.0000 | |
82 | V | A | 0.0000 | |
83 | Y | A | 0.0000 | |
84 | L | A | 0.0000 | |
85 | Q | A | -1.6824 | |
86 | M | A | 0.0000 | |
87 | N | A | -1.3369 | |
88 | S | A | -1.1438 | |
89 | L | A | 0.0000 | |
90 | R | A | -2.2894 | |
91 | A | A | -1.7510 | |
92 | E | A | -2.2256 | |
93 | D | A | 0.0000 | |
94 | T | A | -0.6788 | |
95 | A | A | 0.0000 | |
96 | T | A | 0.0000 | |
97 | Y | A | 0.0000 | |
98 | Y | A | 0.0000 | |
99 | C | A | 0.0000 | |
100 | A | A | 0.0000 | |
101 | E | A | 0.0000 | |
102 | W | A | 0.0000 | |
103 | M | A | 0.4570 | |
104 | N | A | -0.6173 | |
105 | T | A | -1.4038 | |
106 | R | A | -2.4807 | |
107 | R | A | -2.9338 | |
108 | E | A | -2.1189 | |
109 | F | A | -0.2331 | |
110 | I | A | 0.0000 | |
111 | T | A | 0.0367 | |
112 | P | A | 0.0000 | |
113 | Y | A | 0.5402 | |
114 | W | A | 0.1391 | |
115 | G | A | 0.0000 | |
116 | Q | A | -0.4623 | |
117 | G | A | 0.0000 | |
118 | T | A | -0.5232 | |
119 | Q | A | -0.1564 | |
120 | V | A | 0.0000 | |
121 | T | A | -0.0653 | |
122 | V | A | 0.0000 | |
123 | S | A | -0.7555 | |
124 | S | A | -0.4306 | |
106 | G | E | -1.2154 | |
107 | K | E | -2.0185 | |
108 | P | E | -0.8842 | |
109 | I | E | 0.0000 | |
110 | P | E | -0.1571 | |
111 | N | E | 0.0000 | |
112 | P | E | -0.0099 | |
113 | L | E | 0.0000 | |
114 | L | E | 0.3890 | |
115 | G | E | 0.1114 | |
116 | L | E | -0.3957 | |
117 | D | E | -1.5001 | |
118 | S | E | -1.0738 | |
119 | T | E | -0.6352 | |
4 | V | B | 1.0357 | |
5 | Q | B | -0.6603 | |
6 | L | B | 0.0000 | |
7 | Q | B | -1.1753 | |
8 | A | B | 0.0000 | |
9 | S | B | -0.8990 | |
10 | G | B | -1.0026 | |
11 | G | B | -0.4122 | |
12 | G | B | 0.5288 | |
13 | F | B | 1.4665 | |
14 | V | B | 0.0000 | |
15 | Q | B | -1.3350 | |
16 | P | B | -1.5608 | |
17 | G | B | -1.3319 | |
18 | G | B | -0.8559 | |
19 | S | B | -1.1863 | |
20 | L | B | -0.7910 | |
21 | R | B | -1.8967 | |
22 | L | B | 0.0000 | |
23 | S | B | -0.7439 | |
24 | C | B | 0.0000 | |
25 | A | B | -1.1965 | |
26 | A | B | -1.0647 | |
27 | S | B | -0.8950 | |
28 | G | B | -1.3144 | |
29 | T | B | -0.5587 | |
30 | T | B | -0.1880 | |
31 | S | B | -0.3139 | |
32 | F | B | 0.3457 | |
33 | G | B | -0.3019 | |
34 | D | B | 0.0000 | |
35 | T | B | 0.0000 | |
36 | M | B | 0.0000 | |
37 | G | B | 0.0000 | |
38 | W | B | 0.0000 | |
39 | F | B | 0.0000 | |
40 | R | B | 0.0000 | |
41 | Q | B | 0.0000 | |
42 | A | B | -1.4376 | |
43 | P | B | -1.0606 | |
44 | G | B | -1.9128 | |
45 | K | B | -3.2736 | |
46 | E | B | -3.4725 | |
47 | R | B | -2.6864 | |
48 | E | B | -1.6003 | |
49 | F | B | -0.6267 | |
50 | V | B | 0.0000 | |
51 | S | B | 0.0000 | |
52 | A | B | 0.0000 | |
53 | I | B | 0.0000 | |
54 | S | B | 0.0000 | |
55 | R | B | -2.4370 | |
56 | Q | B | -2.3687 | |
58 | D | B | -2.7602 | |
59 | D | B | -2.2219 | |
60 | S | B | -1.5815 | |
61 | H | B | -0.9343 | |
62 | Y | B | 0.0000 | |
63 | Y | B | -1.2395 | |
64 | A | B | -1.5308 | |
65 | D | B | -2.3888 | |
66 | S | B | -1.5960 | |
67 | V | B | 0.0000 | |
68 | K | B | -2.6589 | |
69 | G | B | -1.7864 | |
70 | R | B | -1.3755 | |
71 | F | B | 0.0000 | |
72 | T | B | -0.8798 | |
73 | I | B | 0.0000 | |
74 | S | B | -0.6805 | |
75 | R | B | -1.5470 | |
76 | D | B | -2.2586 | |
77 | N | B | -2.7983 | |
78 | S | B | -2.2306 | |
79 | K | B | -3.0109 | |
80 | N | B | -2.7230 | |
81 | T | B | 0.0000 | |
82 | V | B | 0.0000 | |
83 | Y | B | -0.6343 | |
84 | L | B | 0.0000 | |
85 | Q | B | -1.2814 | |
86 | M | B | 0.0000 | |
87 | N | B | -1.2463 | |
88 | S | B | -1.1412 | |
89 | L | B | 0.0000 | |
90 | R | B | -2.2627 | |
91 | A | B | -1.7407 | |
92 | E | B | -2.2143 | |
93 | D | B | 0.0000 | |
94 | T | B | -0.6745 | |
95 | A | B | 0.0000 | |
96 | T | B | 0.0000 | |
97 | Y | B | 0.0000 | |
98 | Y | B | 0.0000 | |
99 | C | B | 0.0000 | |
100 | A | B | 0.0000 | |
101 | E | B | 0.0000 | |
102 | W | B | 0.0000 | |
103 | M | B | 0.0000 | |
104 | N | B | 0.0000 | |
105 | T | B | 0.0000 | |
106 | R | B | -1.7216 | |
107 | R | B | -1.1180 | |
108 | E | B | -0.7527 | |
109 | F | B | -0.0165 | |
110 | I | B | 0.0000 | |
111 | T | B | -0.3559 | |
112 | P | B | 0.0000 | |
113 | Y | B | 0.0000 | |
114 | W | B | -0.0665 | |
115 | G | B | 0.0000 | |
116 | Q | B | -0.5287 | |
117 | G | B | 0.0000 | |
118 | T | B | -0.5662 | |
119 | Q | B | -0.1785 | |
120 | V | B | 0.0000 | |
121 | T | B | -0.0765 | |
122 | V | B | 0.0000 | |
123 | S | B | -0.7487 | |
124 | S | B | -0.3975 | |
106 | G | C | -1.6344 | |
107 | K | C | -2.3725 | |
108 | P | C | -0.9193 | |
109 | I | C | 0.0000 | |
110 | P | C | 0.0070 | |
111 | N | C | 0.0000 | |
112 | P | C | 0.1207 | |
113 | L | C | 0.0000 | |
114 | L | C | 0.6007 | |
115 | G | C | 0.0169 | |
116 | L | C | -0.5257 | |
117 | D | C | -1.5612 | |
118 | S | C | -1.0736 | |
119 | T | C | -0.6160 | |
4 | V | D | 1.0597 | |
5 | Q | D | -0.6091 | |
6 | L | D | 0.0000 | |
7 | Q | D | -1.0817 | |
8 | A | D | 0.0000 | |
9 | S | D | -0.8863 | |
10 | G | D | -0.9863 | |
11 | G | D | -0.4143 | |
12 | G | D | 0.5098 | |
13 | F | D | 1.4654 | |
14 | V | D | 0.0000 | |
15 | Q | D | -1.3468 | |
16 | P | D | -1.6042 | |
17 | G | D | -1.3791 | |
18 | G | D | -0.8913 | |
19 | S | D | -1.1526 | |
20 | L | D | -0.7485 | |
21 | R | D | -1.8136 | |
22 | L | D | 0.0000 | |
23 | S | D | -0.7318 | |
24 | C | D | 0.0000 | |
25 | A | D | -1.1253 | |
26 | A | D | -0.9567 | |
27 | S | D | -0.8462 | |
28 | G | D | -1.1698 | |
29 | T | D | -0.5019 | |
30 | T | D | -0.1814 | |
31 | S | D | -0.3062 | |
32 | F | D | 0.3313 | |
33 | G | D | -0.2805 | |
34 | D | D | 0.0000 | |
35 | T | D | 0.0000 | |
36 | M | D | 0.0000 | |
37 | G | D | 0.0000 | |
38 | W | D | 0.0000 | |
39 | F | D | 0.0000 | |
40 | R | D | 0.0000 | |
41 | Q | D | 0.0000 | |
42 | A | D | -1.3679 | |
43 | P | D | -1.0514 | |
44 | G | D | -1.8437 | |
45 | K | D | -3.1755 | |
46 | E | D | -3.3243 | |
47 | R | D | -2.3734 | |
48 | E | D | -1.4252 | |
49 | F | D | -0.5294 | |
50 | V | D | 0.0000 | |
51 | S | D | 0.0000 | |
52 | A | D | 0.0000 | |
53 | I | D | 0.0000 | |
54 | S | D | 0.0000 | |
55 | R | D | -2.5756 | |
56 | Q | D | -2.5671 | |
58 | D | D | -2.8763 | |
59 | D | D | -2.3700 | |
60 | S | D | -1.6942 | |
61 | H | D | -0.7829 | |
62 | Y | D | 0.0000 | |
63 | Y | D | -1.2216 | |
64 | A | D | -1.5128 | |
65 | D | D | -2.3558 | |
66 | S | D | -1.5464 | |
67 | V | D | 0.0000 | |
68 | K | D | -2.5867 | |
69 | G | D | -1.6936 | |
70 | R | D | -1.1943 | |
71 | F | D | 0.0000 | |
72 | T | D | -0.8263 | |
73 | I | D | 0.0000 | |
74 | S | D | -0.7081 | |
75 | R | D | -1.5756 | |
76 | D | D | -2.2700 | |
77 | N | D | -2.7574 | |
78 | S | D | -2.2082 | |
79 | K | D | -2.9277 | |
80 | N | D | -2.4901 | |
81 | T | D | 0.0000 | |
82 | V | D | 0.0000 | |
83 | Y | D | -0.6369 | |
84 | L | D | 0.0000 | |
85 | Q | D | -1.2047 | |
86 | M | D | 0.0000 | |
87 | N | D | -1.1861 | |
88 | S | D | -1.1553 | |
89 | L | D | 0.0000 | |
90 | R | D | -2.3241 | |
91 | A | D | -1.7636 | |
92 | E | D | -2.2341 | |
93 | D | D | 0.0000 | |
94 | T | D | -0.7037 | |
95 | A | D | 0.0000 | |
96 | T | D | 0.0000 | |
97 | Y | D | 0.0000 | |
98 | Y | D | 0.0000 | |
99 | C | D | 0.0000 | |
100 | A | D | 0.0000 | |
101 | E | D | 0.0000 | |
102 | W | D | 0.0000 | |
103 | M | D | -0.3938 | |
104 | N | D | 0.0000 | |
105 | T | D | 0.0000 | |
106 | R | D | -1.6754 | |
107 | R | D | -1.0631 | |
108 | E | D | -0.6648 | |
109 | F | D | 0.1810 | |
110 | I | D | 0.0000 | |
111 | T | D | -0.3055 | |
112 | P | D | 0.0000 | |
113 | Y | D | 0.0000 | |
114 | W | D | -0.1134 | |
115 | G | D | 0.0000 | |
116 | Q | D | -0.4958 | |
117 | G | D | 0.0000 | |
118 | T | D | -0.5870 | |
119 | Q | D | -0.2456 | |
120 | V | D | 0.0000 | |
121 | T | D | 0.0000 | |
122 | V | D | 0.0000 | |
123 | S | D | -0.7188 | |
124 | S | D | -0.3996 | |
106 | G | F | -1.6451 | |
107 | K | F | -2.3560 | |
108 | P | F | -0.8632 | |
109 | I | F | 0.0000 | |
110 | P | F | 0.0961 | |
111 | N | F | 0.0000 | |
112 | P | F | 0.1742 | |
113 | L | F | 0.0000 | |
114 | L | F | 0.6855 | |
115 | G | F | 0.0686 | |
116 | L | F | -0.4558 | |
117 | D | F | -1.5430 | |
118 | S | F | -1.1054 | |
119 | T | F | -0.6463 | |
4 | V | G | 1.0350 | |
5 | Q | G | -0.7183 | |
6 | L | G | 0.0000 | |
7 | Q | G | -1.4160 | |
8 | A | G | 0.0000 | |
9 | S | G | -1.0114 | |
10 | G | G | -1.0534 | |
11 | G | G | -0.4370 | |
12 | G | G | 0.5244 | |
13 | F | G | 1.4913 | |
14 | V | G | 0.0000 | |
15 | Q | G | -1.3942 | |
16 | P | G | -1.8774 | |
17 | G | G | -1.4106 | |
18 | G | G | -0.9021 | |
19 | S | G | -1.2047 | |
20 | L | G | -0.8151 | |
21 | R | G | -1.9544 | |
22 | L | G | 0.0000 | |
23 | S | G | -0.8203 | |
24 | C | G | 0.0000 | |
25 | A | G | -1.4742 | |
26 | A | G | -1.1416 | |
27 | S | G | -0.9265 | |
28 | G | G | -1.3438 | |
29 | T | G | -0.5213 | |
30 | T | G | -0.1537 | |
31 | S | G | 0.0510 | |
32 | F | G | 0.8346 | |
33 | G | G | -0.2151 | |
34 | D | G | -1.2960 | |
35 | T | G | 0.0000 | |
36 | M | G | 0.0000 | |
37 | G | G | 0.0000 | |
38 | W | G | 0.0000 | |
39 | F | G | 0.0000 | |
40 | R | G | 0.0000 | |
41 | Q | G | 0.0000 | |
42 | A | G | -1.4307 | |
43 | P | G | -1.0878 | |
44 | G | G | -1.9016 | |
45 | K | G | -3.2426 | |
46 | E | G | -3.4622 | |
47 | R | G | -2.7106 | |
48 | E | G | -1.6075 | |
49 | F | G | -0.6266 | |
50 | V | G | 0.0000 | |
51 | S | G | 0.0000 | |
52 | A | G | 0.0000 | |
53 | I | G | 0.0000 | |
54 | S | G | 0.0000 | |
55 | R | G | -2.8859 | |
58 | D | G | -2.6339 | |
59 | D | G | -2.2362 | |
60 | S | G | -1.5970 | |
61 | H | G | -1.0682 | |
62 | Y | G | 0.0000 | |
63 | Y | G | -1.2340 | |
64 | A | G | -1.5132 | |
65 | D | G | -2.3593 | |
66 | S | G | -1.7618 | |
67 | V | G | 0.0000 | |
68 | K | G | -2.5208 | |
69 | G | G | -1.7091 | |
70 | R | G | -1.3035 | |
71 | F | G | 0.0000 | |
72 | T | G | -0.8663 | |
73 | I | G | 0.0000 | |
74 | S | G | -0.7880 | |
75 | R | G | -1.7614 | |
76 | D | G | -2.5101 | |
77 | N | G | -2.9440 | |
78 | S | G | -2.3300 | |
79 | K | G | -3.0941 | |
80 | N | G | -2.7953 | |
81 | T | G | 0.0000 | |
82 | V | G | 0.0000 | |
83 | Y | G | -0.7368 | |
84 | L | G | 0.0000 | |
85 | Q | G | -1.3211 | |
86 | M | G | 0.0000 | |
87 | N | G | -1.2650 | |
88 | S | G | -1.1814 | |
89 | L | G | 0.0000 | |
90 | R | G | -2.5408 | |
91 | A | G | -1.8765 | |
92 | E | G | -2.3258 | |
93 | D | G | 0.0000 | |
94 | T | G | -0.7039 | |
95 | A | G | 0.0000 | |
96 | T | G | 0.0000 | |
97 | Y | G | 0.0000 | |
98 | Y | G | 0.0000 | |
99 | C | G | 0.0000 | |
100 | A | G | 0.0000 | |
101 | E | G | 0.0000 | |
102 | W | G | 0.0000 | |
103 | M | G | 0.3121 | |
104 | N | G | -0.7956 | |
105 | T | G | -1.3194 | |
106 | R | G | -2.5100 | |
107 | R | G | -2.9835 | |
108 | E | G | -2.2007 | |
109 | F | G | -0.3748 | |
110 | I | G | 0.0000 | |
111 | T | G | 0.0098 | |
112 | P | G | 0.0000 | |
113 | Y | G | 0.4565 | |
114 | W | G | 0.1016 | |
115 | G | G | 0.0000 | |
116 | Q | G | -0.6524 | |
117 | G | G | 0.0000 | |
118 | T | G | -0.6343 | |
119 | Q | G | -0.1961 | |
120 | V | G | 0.0000 | |
121 | T | G | -0.1019 | |
122 | V | G | 0.0000 | |
123 | S | G | -0.7973 | |
124 | S | G | -0.3985 | |
106 | G | H | -1.2684 | |
107 | K | H | -2.0541 | |
108 | P | H | -0.9528 | |
109 | I | H | 0.0000 | |
110 | P | H | -0.2229 | |
111 | N | H | 0.0000 | |
112 | P | H | -0.0853 | |
113 | L | H | 0.0000 | |
114 | L | H | 0.2284 | |
115 | G | H | -0.0396 | |
116 | L | H | -0.6413 | |
117 | D | H | -1.6470 | |
118 | S | H | -1.1757 | |
119 | T | H | -0.6670 |