| Chain sequence(s) |
A: QVQLVQSGAEVKKPGASVKVSCKASGYTFTNYYIHWVRQAPGQRLEYIGWIYPGNVYIQYNEKFKGRATLTADKSASTAYMELSSLRSEDTAVYYCARDGPWFAYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT
B: QGQSGQGWWPPCQGGAWCEQRIGGGSSGGSISSGLLSGRSDNIGGSDIVLTQTPLSLSVTPGQPASISCRSSRSLLHSDGFTYLYWFLQKPGQSPQLLIYQTSNLASGVPDRFSSSGSGTDFTLKISRVEAEDVGVYYCAQNLELPNTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input PDB |
| Selected Chain(s) | A,B |
| 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] (00:00:00)
[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 minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:13)
[INFO] Main: Simulation completed successfully. (00:06:17)
|
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 | |
| 1 | Q | A | -1.5352 | |
| 2 | V | A | -0.9903 | |
| 3 | Q | A | -1.1750 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 0.6711 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.4855 | |
| 8 | G | A | -0.9810 | |
| 9 | A | A | -0.9830 | |
| 10 | E | A | -1.6275 | |
| 11 | V | A | -0.9385 | |
| 12 | K | A | -1.7897 | |
| 13 | K | A | -2.4745 | |
| 14 | P | A | -2.2100 | |
| 15 | G | A | -1.5981 | |
| 16 | A | A | -1.2581 | |
| 17 | S | A | -1.3799 | |
| 18 | V | A | 0.0000 | |
| 19 | K | A | -2.1013 | |
| 20 | V | A | 0.0000 | |
| 21 | S | A | -0.4193 | |
| 22 | C | A | 0.0000 | |
| 23 | K | A | -0.4161 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -0.7663 | |
| 26 | G | A | -1.0791 | |
| 27 | Y | A | -0.4943 | |
| 28 | T | A | -0.3845 | |
| 29 | F | A | 0.0000 | |
| 30 | T | A | -0.7689 | |
| 31 | N | A | -0.7794 | |
| 32 | Y | A | -0.1101 | |
| 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 | Q | A | -0.7469 | |
| 40 | A | A | -1.1042 | |
| 41 | P | A | -0.9213 | |
| 42 | G | A | -1.4382 | |
| 43 | Q | A | -2.1262 | |
| 44 | R | A | -1.9224 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -0.8338 | |
| 47 | Y | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | W | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | Y | A | 0.5383 | |
| 53 | P | A | 0.0000 | |
| 54 | G | A | -0.5876 | |
| 55 | N | A | -0.5055 | |
| 56 | V | A | 0.8561 | |
| 57 | Y | A | 1.3988 | |
| 58 | I | A | 1.2310 | |
| 59 | Q | A | 0.1126 | |
| 60 | Y | A | -0.8732 | |
| 61 | N | A | 0.0000 | |
| 62 | E | A | -2.3962 | |
| 63 | K | A | -2.7377 | |
| 64 | F | A | 0.0000 | |
| 65 | K | A | -2.8655 | |
| 66 | G | A | -1.8771 | |
| 67 | R | A | -1.7100 | |
| 68 | A | A | 0.0000 | |
| 69 | T | A | -0.8491 | |
| 70 | L | A | 0.0000 | |
| 71 | T | A | 0.0530 | |
| 72 | A | A | -0.6601 | |
| 73 | D | A | -1.3365 | |
| 74 | K | A | -1.5756 | |
| 75 | S | A | -1.0174 | |
| 76 | A | A | -0.8489 | |
| 77 | S | A | -0.9604 | |
| 78 | T | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | Y | A | -0.5576 | |
| 81 | M | A | 0.0000 | |
| 82 | E | A | -1.4931 | |
| 83 | L | A | 0.0000 | |
| 84 | S | A | -1.1618 | |
| 85 | S | A | -1.2593 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -3.0844 | |
| 88 | S | A | -2.3669 | |
| 89 | E | A | -2.5429 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.9742 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.2427 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | R | A | 0.0000 | |
| 99 | D | A | 0.0000 | |
| 100 | G | A | 0.1013 | |
| 101 | P | A | 0.1232 | |
| 102 | W | A | 0.0000 | |
| 103 | F | A | 0.0000 | |
| 104 | A | A | 0.0697 | |
| 105 | Y | A | 0.0824 | |
| 106 | W | A | -0.1591 | |
| 107 | G | A | 0.0000 | |
| 108 | Q | A | -1.1692 | |
| 109 | G | A | -0.4590 | |
| 110 | T | A | 0.0000 | |
| 111 | L | A | -0.1608 | |
| 112 | V | A | 0.0000 | |
| 113 | T | A | -1.0115 | |
| 114 | V | A | 0.0000 | |
| 115 | S | A | -1.2297 | |
| 116 | S | A | -0.9573 | |
| 117 | A | A | -0.6258 | |
| 118 | S | A | -0.7218 | |
| 119 | T | A | -0.8278 | |
| 120 | K | A | -1.3327 | |
| 121 | G | A | -1.3847 | |
| 122 | P | A | 0.0000 | |
| 123 | S | A | -0.3433 | |
| 124 | V | A | 0.0000 | |
| 125 | F | A | 0.0000 | |
| 126 | P | A | -0.9476 | |
| 127 | L | A | 0.0000 | |
| 128 | A | A | -1.2566 | |
| 129 | P | A | 0.0000 | |
| 130 | S | A | -0.9183 | |
| 131 | S | A | -0.5559 | |
| 132 | K | A | -0.9460 | |
| 133 | S | A | 0.0000 | |
| 134 | T | A | -0.6737 | |
| 135 | S | A | -0.6851 | |
| 136 | G | A | -0.7979 | |
| 137 | G | A | -0.8652 | |
| 138 | T | A | -0.6065 | |
| 139 | A | A | 0.0000 | |
| 140 | A | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | C | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | K | A | 0.0000 | |
| 147 | D | A | -0.3848 | |
| 148 | Y | A | 0.0000 | |
| 149 | F | A | 0.0000 | |
| 150 | P | A | 0.0000 | |
| 151 | E | A | -0.4586 | |
| 152 | P | A | -0.6957 | |
| 153 | V | A | -0.5961 | |
| 154 | T | A | -0.5646 | |
| 155 | V | A | -0.1898 | |
| 156 | S | A | -0.3791 | |
| 157 | W | A | 0.0000 | |
| 158 | N | A | -0.7011 | |
| 159 | S | A | -0.6463 | |
| 160 | G | A | -0.4844 | |
| 161 | A | A | -0.2227 | |
| 162 | L | A | 0.0384 | |
| 163 | T | A | -0.1497 | |
| 164 | S | A | -0.1599 | |
| 165 | G | A | -0.1829 | |
| 166 | V | A | 0.1990 | |
| 167 | H | A | -0.2712 | |
| 168 | T | A | 0.0309 | |
| 169 | F | A | 0.0000 | |
| 170 | P | A | -0.2640 | |
| 171 | A | A | 0.2928 | |
| 172 | V | A | 0.5600 | |
| 173 | L | A | 1.2227 | |
| 174 | Q | A | 0.3075 | |
| 175 | S | A | -0.0615 | |
| 176 | S | A | -0.2110 | |
| 177 | G | A | 0.0268 | |
| 178 | L | A | 0.1273 | |
| 179 | Y | A | 0.4902 | |
| 180 | S | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | S | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | T | A | -0.1209 | |
| 187 | V | A | 0.0000 | |
| 188 | P | A | -0.6076 | |
| 189 | S | A | -0.5687 | |
| 190 | S | A | -0.5766 | |
| 191 | S | A | -0.5579 | |
| 192 | L | A | -0.7707 | |
| 193 | G | A | -0.9376 | |
| 194 | T | A | -0.6762 | |
| 195 | Q | A | -1.1450 | |
| 196 | T | A | -1.0358 | |
| 197 | Y | A | 0.0000 | |
| 198 | I | A | -1.1293 | |
| 199 | C | A | 0.0000 | |
| 200 | N | A | -1.4419 | |
| 201 | V | A | 0.0000 | |
| 202 | N | A | -1.9280 | |
| 203 | H | A | 0.0000 | |
| 204 | K | A | -2.9270 | |
| 205 | P | A | -1.8655 | |
| 206 | S | A | -1.9436 | |
| 207 | N | A | -2.5763 | |
| 208 | T | A | -2.0621 | |
| 209 | K | A | -2.6891 | |
| 210 | V | A | -1.5455 | |
| 211 | D | A | -2.4481 | |
| 212 | K | A | -2.0136 | |
| 213 | K | A | -2.3084 | |
| 214 | V | A | 0.0000 | |
| 215 | E | A | -2.7922 | |
| 216 | P | A | -1.8077 | |
| 217 | K | A | -2.4877 | |
| 218 | S | A | -1.8546 | |
| 219 | C | A | -1.5931 | |
| 220 | D | A | -2.8327 | |
| 221 | K | A | -2.8577 | |
| 222 | T | A | -1.9445 | |
| 223 | H | A | -1.8596 | |
| 224 | T | A | -0.8346 | |
| 1 | Q | B | -1.7460 | |
| 2 | G | B | -1.7543 | |
| 3 | Q | B | -2.1011 | |
| 4 | S | B | -1.6729 | |
| 5 | G | B | -1.4590 | |
| 6 | Q | B | -1.3918 | |
| 7 | G | B | -0.3007 | |
| 8 | W | B | 1.1188 | |
| 9 | W | B | 1.4138 | |
| 10 | P | B | 0.6381 | |
| 11 | P | B | 0.0678 | |
| 12 | C | B | -0.5466 | |
| 13 | Q | B | -0.1748 | |
| 14 | G | B | 0.0000 | |
| 15 | G | B | 0.0000 | |
| 16 | A | B | -0.5891 | |
| 17 | W | B | -0.7609 | |
| 18 | C | B | 0.0000 | |
| 19 | E | B | -2.5371 | |
| 20 | Q | B | -2.5615 | |
| 21 | R | B | -2.2051 | |
| 22 | I | B | -0.1065 | |
| 23 | G | B | -1.0662 | |
| 24 | G | B | -0.8867 | |
| 25 | G | B | -0.9830 | |
| 26 | S | B | -0.8823 | |
| 27 | S | B | -0.8742 | |
| 28 | G | B | -0.6124 | |
| 29 | G | B | -0.3795 | |
| 30 | S | B | 0.2984 | |
| 31 | I | B | 1.4470 | |
| 32 | S | B | 0.6157 | |
| 33 | S | B | 0.8111 | |
| 34 | G | B | 0.9574 | |
| 35 | L | B | 1.7036 | |
| 36 | L | B | 1.5884 | |
| 37 | S | B | 0.1423 | |
| 38 | G | B | -1.1063 | |
| 39 | R | B | -2.4510 | |
| 40 | S | B | -2.1420 | |
| 41 | D | B | -2.7336 | |
| 42 | N | B | -2.1864 | |
| 43 | I | B | 0.0933 | |
| 44 | G | B | -0.5532 | |
| 45 | G | B | -1.1257 | |
| 46 | S | B | -0.9726 | |
| 47 | D | B | -1.6227 | |
| 48 | I | B | 0.0000 | |
| 49 | V | B | 0.6325 | |
| 50 | L | B | 0.0000 | |
| 51 | T | B | -0.3353 | |
| 52 | Q | B | 0.0000 | |
| 53 | T | B | 0.0938 | |
| 54 | P | B | 0.4763 | |
| 55 | L | B | 1.1824 | |
| 56 | S | B | 0.2756 | |
| 57 | L | B | -0.1188 | |
| 58 | S | B | -0.8868 | |
| 59 | V | B | 0.0000 | |
| 60 | T | B | -1.5855 | |
| 61 | P | B | -1.8108 | |
| 62 | G | B | -1.6922 | |
| 63 | Q | B | -1.9702 | |
| 64 | P | B | -1.9904 | |
| 65 | A | B | 0.0000 | |
| 66 | S | B | -0.7779 | |
| 67 | I | B | 0.0000 | |
| 68 | S | B | -0.8409 | |
| 69 | C | B | 0.0000 | |
| 70 | R | B | -1.9542 | |
| 71 | S | B | 0.0000 | |
| 72 | S | B | -0.7710 | |
| 73 | R | B | -0.8697 | |
| 74 | S | B | -0.4980 | |
| 75 | L | B | 0.0000 | |
| 76 | L | B | 1.2331 | |
| 77 | H | B | 0.2427 | |
| 78 | S | B | -0.3592 | |
| 79 | D | B | -1.0435 | |
| 80 | G | B | -0.1167 | |
| 81 | F | B | 0.9374 | |
| 82 | T | B | 0.7329 | |
| 83 | Y | B | 0.0000 | |
| 84 | L | B | 0.0000 | |
| 85 | Y | B | 0.0000 | |
| 86 | W | B | 0.0000 | |
| 87 | F | B | 0.0000 | |
| 88 | L | B | 0.0000 | |
| 89 | Q | B | -0.9105 | |
| 90 | K | B | -1.5654 | |
| 91 | P | B | -1.3547 | |
| 92 | G | B | -1.5650 | |
| 93 | Q | B | -1.9375 | |
| 94 | S | B | -1.2372 | |
| 95 | P | B | 0.0000 | |
| 96 | Q | B | -0.8523 | |
| 97 | L | B | 0.0000 | |
| 98 | L | B | 0.0000 | |
| 99 | I | B | 0.0000 | |
| 100 | Y | B | 0.0623 | |
| 101 | Q | B | 0.2648 | |
| 102 | T | B | 0.0000 | |
| 103 | S | B | -0.4637 | |
| 104 | N | B | -0.3213 | |
| 105 | L | B | -0.1005 | |
| 106 | A | B | 0.0000 | |
| 107 | S | B | -0.3072 | |
| 108 | G | B | -0.6169 | |
| 109 | V | B | -0.5992 | |
| 110 | P | B | -1.0579 | |
| 111 | D | B | -2.0091 | |
| 112 | R | B | -2.2927 | |
| 113 | F | B | 0.0000 | |
| 114 | S | B | -1.2509 | |
| 115 | S | B | 0.0000 | |
| 116 | S | B | -1.0563 | |
| 117 | G | B | -1.4110 | |
| 118 | S | B | -0.7923 | |
| 119 | G | B | -0.6580 | |
| 120 | T | B | -1.4875 | |
| 121 | D | B | -2.6650 | |
| 122 | F | B | 0.0000 | |
| 123 | T | B | -1.2162 | |
| 124 | L | B | 0.0000 | |
| 125 | K | B | -2.0171 | |
| 126 | I | B | 0.0000 | |
| 127 | S | B | -2.3412 | |
| 128 | R | B | -2.9868 | |
| 129 | V | B | 0.0000 | |
| 130 | E | B | -2.5029 | |
| 131 | A | B | 0.0000 | |
| 132 | E | B | -2.3958 | |
| 133 | D | B | 0.0000 | |
| 134 | V | B | 0.0000 | |
| 135 | G | B | 0.0000 | |
| 136 | V | B | -0.0272 | |
| 137 | Y | B | 0.0000 | |
| 138 | Y | B | 0.0000 | |
| 139 | C | B | 0.0000 | |
| 140 | A | B | 0.0000 | |
| 141 | Q | B | 0.0000 | |
| 142 | N | B | 0.0000 | |
| 143 | L | B | 0.1977 | |
| 144 | E | B | -0.9136 | |
| 145 | L | B | -0.7807 | |
| 146 | P | B | -1.0444 | |
| 147 | N | B | 0.0000 | |
| 148 | T | B | -0.2268 | |
| 149 | F | B | 0.0000 | |
| 150 | G | B | 0.0000 | |
| 151 | Q | B | -0.8053 | |
| 152 | G | B | 0.0000 | |
| 153 | T | B | 0.0000 | |
| 154 | K | B | -0.3976 | |
| 155 | L | B | 0.0000 | |
| 156 | E | B | -1.1546 | |
| 157 | I | B | 0.0000 | |
| 158 | K | B | -1.6542 | |
| 159 | R | B | -1.1375 | |
| 160 | T | B | -0.1273 | |
| 161 | V | B | 0.3614 | |
| 162 | A | B | 0.0141 | |
| 163 | A | B | -0.1197 | |
| 164 | P | B | 0.0000 | |
| 165 | S | B | -0.2127 | |
| 166 | V | B | 0.0000 | |
| 167 | F | B | 0.0000 | |
| 168 | I | B | 0.0000 | |
| 169 | F | B | 0.0000 | |
| 170 | P | B | -0.4873 | |
| 171 | P | B | 0.0000 | |
| 172 | S | B | -1.4553 | |
| 173 | D | B | -2.5275 | |
| 174 | E | B | -2.1905 | |
| 175 | Q | B | 0.0000 | |
| 176 | L | B | -1.9531 | |
| 177 | K | B | -2.5581 | |
| 178 | S | B | -1.5758 | |
| 179 | G | B | -1.1491 | |
| 180 | T | B | -0.8885 | |
| 181 | A | B | 0.0000 | |
| 182 | S | B | 0.0000 | |
| 183 | V | B | 0.0000 | |
| 184 | V | B | 0.0000 | |
| 185 | C | B | 0.0000 | |
| 186 | L | B | 0.0000 | |
| 187 | L | B | 0.0000 | |
| 188 | N | B | 0.0000 | |
| 189 | N | B | -0.8198 | |
| 190 | F | B | 0.0000 | |
| 191 | Y | B | 0.0000 | |
| 192 | P | B | -1.3933 | |
| 193 | R | B | -2.2298 | |
| 194 | E | B | -2.8606 | |
| 195 | A | B | -2.1510 | |
| 196 | K | B | -2.4545 | |
| 197 | V | B | -1.2230 | |
| 198 | Q | B | -0.8811 | |
| 199 | W | B | 0.0000 | |
| 200 | K | B | -0.5261 | |
| 201 | V | B | 0.0000 | |
| 202 | D | B | -1.6223 | |
| 203 | N | B | -1.3835 | |
| 204 | A | B | -0.2086 | |
| 205 | L | B | 0.6632 | |
| 206 | Q | B | -0.3261 | |
| 207 | S | B | -0.6783 | |
| 208 | G | B | -1.2394 | |
| 209 | N | B | -1.5199 | |
| 210 | S | B | -1.4054 | |
| 211 | Q | B | -1.3055 | |
| 212 | E | B | -1.4674 | |
| 213 | S | B | -0.7615 | |
| 214 | V | B | -0.5513 | |
| 215 | T | B | -0.9337 | |
| 216 | E | B | -1.9243 | |
| 217 | Q | B | 0.0000 | |
| 218 | D | B | -2.0108 | |
| 219 | S | B | -2.2817 | |
| 220 | K | B | -2.6293 | |
| 221 | D | B | -1.7718 | |
| 222 | S | B | 0.0000 | |
| 223 | T | B | 0.0000 | |
| 224 | Y | B | 0.0000 | |
| 225 | S | B | 0.0000 | |
| 226 | L | B | 0.0000 | |
| 227 | S | B | 0.0000 | |
| 228 | S | B | 0.0000 | |
| 229 | T | B | -0.6502 | |
| 230 | L | B | 0.0000 | |
| 231 | T | B | -0.5938 | |
| 232 | L | B | -0.7120 | |
| 233 | S | B | -0.9195 | |
| 234 | K | B | -1.9178 | |
| 235 | A | B | -1.7002 | |
| 236 | D | B | -2.2208 | |
| 237 | Y | B | 0.0000 | |
| 238 | E | B | -3.2017 | |
| 239 | K | B | -3.3309 | |
| 240 | H | B | -2.5037 | |
| 241 | K | B | -2.4094 | |
| 242 | V | B | -0.8524 | |
| 243 | Y | B | 0.0000 | |
| 244 | A | B | 0.0000 | |
| 245 | C | B | 0.0000 | |
| 246 | E | B | -0.6895 | |
| 247 | V | B | 0.0000 | |
| 248 | T | B | -1.2601 | |
| 249 | H | B | 0.0000 | |
| 250 | Q | B | -1.6823 | |
| 251 | G | B | -0.4332 | |
| 252 | L | B | -0.2277 | |
| 253 | S | B | -0.4484 | |
| 254 | S | B | -0.4062 | |
| 255 | P | B | -0.5103 | |
| 256 | V | B | 0.1741 | |
| 257 | T | B | -0.3019 | |
| 258 | K | B | -0.5688 | |
| 259 | S | B | -0.5051 | |
| 260 | F | B | 0.0000 | |
| 261 | N | B | -1.4276 | |
| 262 | R | B | -1.9507 | |
| 263 | G | B | -1.7325 | |
| 264 | E | B | -1.9802 | |
| 265 | C | B | -0.9716 |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine