Chain sequence(s) |
A: EVQLVESGGGLVKPGGSLRLSCAASGFTFSNAWMSWVRQAPGKGLEWVGRIKSKTDGGTTDYAAPVKGRFTISRDDSKNTLYLQMNSLKTEDTAVYYCTTDLPTTPDGPGTPDEYYYDSSGYYKPYYYGMDVWGQGTTVTVSS
B: EIVMTQSPATLSVSPGERATLSCRASQSVSSNLAWYQQKPGQAPRLLIYGASTRATGIPARFSGSGSGTEFTLTISSLQSEDFAVYYCQQYNNWSYTFGQGTKLEIK 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 (00:01:59) [INFO] Main: Simulation completed successfully. (00:02:00) |
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 | E | A | -1.9899 | |
2 | V | A | -1.0141 | |
3 | Q | A | -1.0503 | |
4 | L | A | 0.0000 | |
5 | V | A | 0.2897 | |
6 | E | A | 0.0000 | |
7 | S | A | -0.6327 | |
8 | G | A | -1.0105 | |
9 | G | A | -0.4357 | |
10 | G | A | 0.2293 | |
11 | L | A | 1.0862 | |
12 | V | A | -0.2740 | |
13 | K | A | -1.8187 | |
14 | P | A | -1.7744 | |
15 | G | A | -1.5084 | |
16 | G | A | -1.0525 | |
17 | S | A | -1.3516 | |
18 | L | A | -0.9610 | |
19 | R | A | -2.2491 | |
20 | L | A | 0.0000 | |
21 | S | A | -0.5912 | |
22 | C | A | 0.0000 | |
23 | A | A | -0.2855 | |
24 | A | A | 0.0000 | |
25 | S | A | -1.0246 | |
26 | G | A | -1.1672 | |
27 | F | A | -0.8922 | |
28 | T | A | -0.7020 | |
29 | F | A | 0.0000 | |
30 | S | A | -1.1614 | |
31 | N | A | -1.1349 | |
32 | A | A | 0.0000 | |
33 | W | A | 0.0000 | |
34 | M | A | 0.0000 | |
35 | S | A | 0.0000 | |
36 | W | A | 0.0000 | |
37 | V | A | 0.0000 | |
38 | R | A | 0.0000 | |
39 | Q | A | -0.7941 | |
40 | A | A | -1.1948 | |
41 | P | A | -1.0006 | |
42 | G | A | -1.4671 | |
43 | K | A | -2.3786 | |
44 | G | A | -1.5646 | |
45 | L | A | 0.0000 | |
46 | E | A | -0.9840 | |
47 | W | A | 0.0000 | |
48 | V | A | 0.0000 | |
49 | G | A | 0.0000 | |
50 | R | A | -0.4382 | |
51 | I | A | 0.0000 | |
52 | K | A | -1.2710 | |
53 | S | A | 0.0000 | |
54 | K | A | -2.4170 | |
55 | T | A | -1.4640 | |
56 | D | A | -1.6031 | |
57 | G | A | -1.5204 | |
58 | G | A | -1.5083 | |
59 | T | A | -0.9024 | |
60 | T | A | -0.5059 | |
61 | D | A | -0.6373 | |
62 | Y | A | 0.0000 | |
63 | A | A | 0.0000 | |
64 | A | A | -0.9431 | |
65 | P | A | -1.0064 | |
66 | V | A | 0.0000 | |
67 | K | A | -2.1361 | |
68 | G | A | -1.5403 | |
69 | R | A | -1.3858 | |
70 | F | A | 0.0000 | |
71 | T | A | -1.0321 | |
72 | I | A | 0.0000 | |
73 | S | A | -0.4850 | |
74 | R | A | -1.1434 | |
75 | D | A | -1.6068 | |
76 | D | A | -1.7454 | |
77 | S | A | -1.5089 | |
78 | K | A | -2.3313 | |
79 | N | A | -1.6869 | |
80 | T | A | -1.0497 | |
81 | L | A | 0.0000 | |
82 | Y | A | -0.6649 | |
83 | L | A | 0.0000 | |
84 | Q | A | -1.5278 | |
85 | M | A | 0.0000 | |
86 | N | A | -1.3875 | |
87 | S | A | -1.2588 | |
88 | L | A | 0.0000 | |
89 | K | A | -2.3369 | |
90 | T | A | -1.8966 | |
91 | E | A | -2.2941 | |
92 | D | A | 0.0000 | |
93 | T | A | -0.6477 | |
94 | A | A | 0.0000 | |
95 | V | A | 0.1291 | |
96 | Y | A | 0.0000 | |
97 | Y | A | 0.0000 | |
98 | C | A | 0.0000 | |
99 | T | A | 0.0000 | |
100 | T | A | 0.0000 | |
101 | D | A | 0.0000 | |
102 | L | A | 0.0000 | |
103 | P | A | -0.2535 | |
104 | T | A | -0.5608 | |
105 | T | A | -0.9098 | |
106 | P | A | -0.9382 | |
107 | D | A | -1.6000 | |
108 | G | A | 0.0000 | |
109 | P | A | 0.0000 | |
110 | G | A | 0.0000 | |
111 | T | A | -1.1600 | |
112 | P | A | -1.4522 | |
113 | D | A | -2.4453 | |
114 | E | A | -2.0275 | |
115 | Y | A | 0.4514 | |
116 | Y | A | 1.5827 | |
117 | Y | A | 2.2040 | |
118 | D | A | 0.8040 | |
119 | S | A | 0.1431 | |
120 | S | A | 0.1110 | |
121 | G | A | 0.6281 | |
122 | Y | A | 1.9765 | |
123 | Y | A | 2.1955 | |
124 | K | A | 0.7137 | |
125 | P | A | 0.0000 | |
126 | Y | A | -0.0629 | |
127 | Y | A | -0.1588 | |
128 | Y | A | 0.0504 | |
129 | G | A | 0.0000 | |
130 | M | A | 0.0000 | |
131 | D | A | -0.5254 | |
132 | V | A | -0.3518 | |
133 | W | A | -0.4715 | |
134 | G | A | 0.0000 | |
135 | Q | A | -1.3771 | |
136 | G | A | -0.6613 | |
137 | T | A | -0.2976 | |
138 | T | A | 0.0829 | |
139 | V | A | 0.0000 | |
140 | T | A | -0.1149 | |
141 | V | A | 0.0000 | |
142 | S | A | -0.9228 | |
143 | S | A | -0.7085 | |
1 | E | B | -1.3646 | |
2 | I | B | 0.0000 | |
3 | V | B | 0.8030 | |
4 | M | B | 0.0000 | |
5 | T | B | -0.5482 | |
6 | Q | B | 0.0000 | |
7 | S | B | -0.6244 | |
8 | P | B | -0.3032 | |
9 | A | B | -0.4488 | |
10 | T | B | -0.4577 | |
11 | L | B | -0.1310 | |
12 | S | B | -0.2997 | |
13 | V | B | 0.0000 | |
14 | S | B | -1.1500 | |
15 | P | B | -1.5025 | |
16 | G | B | -1.9412 | |
17 | E | B | -2.7428 | |
18 | R | B | -2.8114 | |
19 | A | B | 0.0000 | |
20 | T | B | -0.5086 | |
21 | L | B | 0.0000 | |
22 | S | B | -0.7990 | |
23 | C | B | 0.0000 | |
24 | R | B | -1.9205 | |
25 | A | B | 0.0000 | |
26 | S | B | -0.7939 | |
27 | Q | B | -1.3012 | |
28 | S | B | -1.3283 | |
29 | V | B | 0.0000 | |
30 | S | B | -0.8856 | |
31 | S | B | -0.7952 | |
32 | N | B | -0.5122 | |
33 | L | B | 0.0000 | |
34 | A | B | 0.0000 | |
35 | W | B | 0.0000 | |
36 | Y | B | 0.0000 | |
37 | Q | B | 0.0000 | |
38 | Q | B | 0.0000 | |
39 | K | B | -1.5014 | |
40 | P | B | -1.0432 | |
41 | G | B | -1.4824 | |
42 | Q | B | -2.0894 | |
43 | A | B | -1.3696 | |
44 | P | B | 0.0000 | |
45 | R | B | -1.2049 | |
46 | L | B | 0.0000 | |
47 | L | B | 0.0000 | |
48 | I | B | 0.0000 | |
49 | Y | B | -0.1284 | |
50 | G | B | -0.2776 | |
51 | A | B | 0.0000 | |
52 | S | B | -0.6761 | |
53 | T | B | -0.5867 | |
54 | R | B | -1.0869 | |
55 | A | B | -0.7815 | |
56 | T | B | -0.6106 | |
57 | G | B | -0.6610 | |
58 | I | B | 0.0000 | |
59 | P | B | -0.4469 | |
60 | A | B | -0.4137 | |
61 | R | B | -0.7621 | |
62 | F | B | 0.0000 | |
63 | S | B | -0.5660 | |
64 | G | B | -0.5277 | |
65 | S | B | -0.8401 | |
66 | G | B | -1.3332 | |
67 | S | B | -1.2899 | |
68 | G | B | -1.2905 | |
69 | T | B | -1.8366 | |
70 | E | B | -2.6880 | |
71 | F | B | 0.0000 | |
72 | T | B | -0.8545 | |
73 | L | B | 0.0000 | |
74 | T | B | -0.6133 | |
75 | I | B | 0.0000 | |
76 | S | B | -1.6363 | |
77 | S | B | -1.8268 | |
78 | L | B | 0.0000 | |
79 | Q | B | -1.6475 | |
80 | S | B | -1.1081 | |
81 | E | B | -1.9012 | |
82 | D | B | 0.0000 | |
83 | F | B | -0.3767 | |
84 | A | B | 0.0000 | |
85 | V | B | -0.3733 | |
86 | Y | B | 0.0000 | |
87 | Y | B | 0.0000 | |
88 | C | B | 0.0000 | |
89 | Q | B | 0.0000 | |
90 | Q | B | 0.0000 | |
91 | Y | B | 0.0000 | |
92 | N | B | -0.6706 | |
93 | N | B | -0.6603 | |
94 | W | B | 0.3393 | |
95 | S | B | -0.0777 | |
96 | Y | B | 0.0000 | |
97 | T | B | -0.0753 | |
98 | F | B | 0.0293 | |
99 | G | B | 0.0000 | |
100 | Q | B | -1.4382 | |
101 | G | B | 0.0000 | |
102 | T | B | 0.0000 | |
103 | K | B | -1.0023 | |
104 | L | B | 0.0000 | |
105 | E | B | -0.1862 | |
106 | I | B | 0.7605 | |
107 | K | B | -0.9014 |