| Chain sequence(s) |
A: DIQMTQSPSSLSASVGDRVTITCRASQSISSYLAWYQQKPGKAPKLLIHDASQLFEGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQFDLLPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYYMSWVRQAPGKGLEWVSAISLSGGSTYYAASHKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCVREVGASTHNYYGMDVWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT 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 (00:04:32)
[INFO] Main: Simulation completed successfully. (00:04:35)
|
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 | D | A | -1.8669 | |
| 2 | I | A | 0.0000 | |
| 3 | Q | A | -2.2442 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -1.3260 | |
| 6 | Q | A | -0.9625 | |
| 7 | S | A | -0.6580 | |
| 8 | P | A | -0.6407 | |
| 9 | S | A | -0.8898 | |
| 10 | S | A | -0.9942 | |
| 11 | L | A | -0.6935 | |
| 12 | S | A | -1.0418 | |
| 13 | A | A | -1.0729 | |
| 14 | S | A | -1.0322 | |
| 15 | V | A | -0.3033 | |
| 16 | G | A | -0.9905 | |
| 17 | D | A | -2.0534 | |
| 18 | R | A | -2.4128 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.6526 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.8462 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.6805 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -1.9789 | |
| 27 | Q | A | -2.3081 | |
| 28 | S | A | -1.4782 | |
| 29 | I | A | 0.0000 | |
| 30 | S | A | -0.8767 | |
| 31 | S | A | -0.5659 | |
| 32 | Y | A | -0.0163 | |
| 33 | L | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | Q | A | -1.3459 | |
| 39 | K | A | -1.8876 | |
| 40 | P | A | -1.6153 | |
| 41 | G | A | -1.8236 | |
| 42 | K | A | -2.5165 | |
| 43 | A | A | -1.5985 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -1.3549 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | H | A | 0.0000 | |
| 50 | D | A | -0.3032 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | -0.4764 | |
| 53 | Q | A | -0.5050 | |
| 54 | L | A | -0.0908 | |
| 55 | F | A | -0.5388 | |
| 56 | E | A | -1.7630 | |
| 57 | G | A | -1.1865 | |
| 58 | V | A | 0.0000 | |
| 59 | P | A | -0.5379 | |
| 60 | S | A | -0.3551 | |
| 61 | R | A | -0.7382 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -0.3145 | |
| 64 | G | A | -0.4027 | |
| 65 | S | A | -0.7659 | |
| 66 | G | A | -1.0775 | |
| 67 | S | A | -1.0166 | |
| 68 | G | A | -1.1536 | |
| 69 | T | A | -1.7353 | |
| 70 | D | A | -2.1455 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.7582 | |
| 73 | F | A | 0.0000 | |
| 74 | T | A | -0.6158 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.3623 | |
| 77 | S | A | -1.2694 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -0.9691 | |
| 80 | P | A | -1.5765 | |
| 81 | E | A | -1.8264 | |
| 82 | D | A | 0.0000 | |
| 83 | I | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | T | A | -1.0707 | |
| 86 | Y | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | Q | A | 0.0000 | |
| 90 | Q | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | D | A | -0.6066 | |
| 93 | L | A | 0.6376 | |
| 94 | L | A | 1.1717 | |
| 95 | P | A | 0.4765 | |
| 96 | L | A | 0.0000 | |
| 97 | T | A | -0.5283 | |
| 98 | F | A | -0.3429 | |
| 99 | G | A | 0.0000 | |
| 100 | G | A | -1.2427 | |
| 101 | G | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -1.9863 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -1.4459 | |
| 106 | I | A | 0.0000 | |
| 107 | K | A | -1.4523 | |
| 108 | R | A | -0.9085 | |
| 109 | T | A | -0.1353 | |
| 110 | V | A | 0.2502 | |
| 111 | A | A | -0.0777 | |
| 112 | A | A | -0.1163 | |
| 113 | P | A | 0.0000 | |
| 114 | S | A | -0.2022 | |
| 115 | V | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | P | A | -0.5443 | |
| 120 | P | A | -0.7286 | |
| 121 | S | A | -1.6967 | |
| 122 | D | A | -2.9241 | |
| 123 | E | A | -2.5882 | |
| 124 | Q | A | 0.0000 | |
| 125 | L | A | -2.0791 | |
| 126 | K | A | -2.7195 | |
| 127 | S | A | -1.6830 | |
| 128 | G | A | -1.2107 | |
| 129 | T | A | -0.9038 | |
| 130 | A | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | C | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | N | A | 0.0000 | |
| 138 | N | A | -0.8997 | |
| 139 | F | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | P | A | -1.7885 | |
| 142 | R | A | -3.1051 | |
| 143 | E | A | -3.2705 | |
| 144 | A | A | -2.3522 | |
| 145 | K | A | -2.3926 | |
| 146 | V | A | -0.8647 | |
| 147 | Q | A | -0.4315 | |
| 148 | W | A | 0.0000 | |
| 149 | K | A | -0.4647 | |
| 150 | V | A | 0.0000 | |
| 151 | D | A | -1.6693 | |
| 152 | N | A | -1.4162 | |
| 153 | A | A | -0.2342 | |
| 154 | L | A | 0.7532 | |
| 155 | Q | A | -0.2914 | |
| 156 | S | A | -0.6450 | |
| 157 | G | A | -1.3508 | |
| 158 | N | A | -1.6985 | |
| 159 | S | A | -1.5130 | |
| 160 | Q | A | -1.5440 | |
| 161 | E | A | -1.2113 | |
| 162 | S | A | -0.6619 | |
| 163 | V | A | -0.6556 | |
| 164 | T | A | -1.1841 | |
| 165 | E | A | -2.2778 | |
| 166 | Q | A | 0.0000 | |
| 167 | D | A | -2.2428 | |
| 168 | S | A | -2.3011 | |
| 169 | K | A | -2.5753 | |
| 170 | D | A | -1.8370 | |
| 171 | S | A | 0.0000 | |
| 172 | T | A | 0.0000 | |
| 173 | Y | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | T | A | -0.7202 | |
| 179 | L | A | 0.0000 | |
| 180 | T | A | -0.6656 | |
| 181 | L | A | -0.6234 | |
| 182 | S | A | -0.7725 | |
| 183 | K | A | -1.6544 | |
| 184 | A | A | -1.4281 | |
| 185 | D | A | -1.9211 | |
| 186 | Y | A | 0.0000 | |
| 187 | E | A | -2.5666 | |
| 188 | K | A | -3.0112 | |
| 189 | H | A | -2.3052 | |
| 190 | K | A | -2.3339 | |
| 191 | V | A | -0.8815 | |
| 192 | Y | A | 0.0000 | |
| 193 | A | A | -0.5094 | |
| 194 | C | A | 0.0000 | |
| 195 | E | A | -0.5457 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | -1.1293 | |
| 198 | H | A | 0.0000 | |
| 199 | Q | A | -1.7736 | |
| 200 | G | A | -0.4250 | |
| 201 | L | A | -0.2058 | |
| 202 | S | A | -0.4317 | |
| 203 | S | A | -0.3822 | |
| 204 | P | A | -0.4340 | |
| 205 | V | A | 0.2920 | |
| 206 | T | A | -0.1364 | |
| 207 | K | A | -0.4456 | |
| 208 | S | A | -0.4651 | |
| 209 | F | A | 0.0000 | |
| 210 | N | A | -1.4298 | |
| 211 | R | A | -1.8619 | |
| 212 | G | A | -1.6099 | |
| 213 | E | A | -1.9556 | |
| 214 | C | A | -1.1592 | |
| 1 | E | B | -2.0179 | |
| 2 | V | B | -1.0393 | |
| 3 | Q | B | -1.0874 | |
| 4 | L | B | 0.0000 | |
| 5 | L | B | 0.7729 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.3778 | |
| 8 | G | B | -0.7716 | |
| 9 | G | B | -0.5743 | |
| 10 | G | B | -0.2977 | |
| 11 | L | B | -0.1315 | |
| 12 | V | B | 0.0000 | |
| 13 | Q | B | -1.7814 | |
| 14 | P | B | -1.9841 | |
| 15 | G | B | -1.6300 | |
| 16 | G | B | -1.2652 | |
| 17 | S | B | -1.4147 | |
| 18 | L | B | -1.1714 | |
| 19 | R | B | -2.0815 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.4312 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.1898 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.7746 | |
| 26 | G | B | -1.1419 | |
| 27 | F | B | -0.4554 | |
| 28 | T | B | -0.2061 | |
| 29 | F | B | 0.0000 | |
| 30 | S | B | -0.3144 | |
| 31 | S | B | 0.0191 | |
| 32 | Y | B | 0.3079 | |
| 33 | Y | B | 0.4650 | |
| 34 | M | B | 0.0000 | |
| 35 | S | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.8504 | |
| 40 | A | B | -1.2338 | |
| 41 | P | B | -1.0012 | |
| 42 | G | B | -1.4498 | |
| 43 | K | B | -2.2666 | |
| 44 | G | B | -1.4101 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.9818 | |
| 47 | W | B | 0.0000 | |
| 48 | V | B | 0.0000 | |
| 49 | S | B | 0.0000 | |
| 50 | A | B | 0.4849 | |
| 51 | I | B | 0.0000 | |
| 52 | S | B | 0.1385 | |
| 53 | L | B | 0.2559 | |
| 54 | S | B | -0.3573 | |
| 55 | G | B | -0.5163 | |
| 56 | G | B | -0.6076 | |
| 57 | S | B | -0.1789 | |
| 58 | T | B | 0.2302 | |
| 59 | Y | B | 0.9189 | |
| 60 | Y | B | 0.3245 | |
| 61 | A | B | -0.1974 | |
| 62 | A | B | -0.6695 | |
| 63 | S | B | -0.7136 | |
| 64 | H | B | 0.0000 | |
| 65 | K | B | -1.8757 | |
| 66 | G | B | -1.5373 | |
| 67 | R | B | -1.4078 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -0.7276 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.4648 | |
| 72 | R | B | -0.9424 | |
| 73 | D | B | -1.4845 | |
| 74 | N | B | -1.5991 | |
| 75 | S | B | -1.5678 | |
| 76 | K | B | -2.3488 | |
| 77 | N | B | -1.7571 | |
| 78 | T | B | -1.0205 | |
| 79 | L | B | 0.0000 | |
| 80 | Y | B | -0.5514 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.2619 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -1.6221 | |
| 85 | S | B | -1.4723 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -2.9141 | |
| 88 | A | B | -2.0058 | |
| 89 | E | B | -2.4154 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.8838 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.0618 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | V | B | 0.0000 | |
| 98 | R | B | 0.0000 | |
| 99 | E | B | 0.1162 | |
| 100 | V | B | 0.0000 | |
| 101 | G | B | 0.0000 | |
| 102 | A | B | -0.5911 | |
| 103 | S | B | -0.5165 | |
| 104 | T | B | -0.6155 | |
| 105 | H | B | -1.1119 | |
| 106 | N | B | -1.3103 | |
| 107 | Y | B | -0.1375 | |
| 108 | Y | B | 0.0758 | |
| 109 | G | B | 0.0000 | |
| 110 | M | B | 0.0000 | |
| 111 | D | B | -0.4582 | |
| 112 | V | B | -0.2930 | |
| 113 | W | B | -0.4554 | |
| 114 | G | B | 0.0000 | |
| 115 | Q | B | -1.3286 | |
| 116 | G | B | 0.0000 | |
| 117 | T | B | 0.0000 | |
| 118 | M | B | -0.0360 | |
| 119 | V | B | 0.0000 | |
| 120 | T | B | 0.0000 | |
| 121 | V | B | 0.0000 | |
| 122 | S | B | -1.1001 | |
| 123 | S | B | -0.7397 | |
| 124 | A | B | -0.4614 | |
| 125 | S | B | -0.5576 | |
| 126 | T | B | -0.5819 | |
| 127 | K | B | -1.1336 | |
| 128 | G | B | -1.3609 | |
| 129 | P | B | 0.0000 | |
| 130 | S | B | -0.3466 | |
| 131 | V | B | 0.0000 | |
| 132 | F | B | 0.0000 | |
| 133 | P | B | -1.2008 | |
| 134 | L | B | 0.0000 | |
| 135 | A | B | -1.2067 | |
| 136 | P | B | 0.0000 | |
| 137 | S | B | -1.0241 | |
| 138 | S | B | -0.6656 | |
| 139 | K | B | -1.1337 | |
| 140 | S | B | 0.0000 | |
| 141 | T | B | -0.7315 | |
| 142 | S | B | -0.7103 | |
| 143 | G | B | -0.7944 | |
| 144 | G | B | -0.8657 | |
| 145 | T | B | -0.6016 | |
| 146 | A | B | 0.0000 | |
| 147 | A | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | G | B | 0.0000 | |
| 150 | C | B | 0.0000 | |
| 151 | L | B | 0.0000 | |
| 152 | V | B | 0.0000 | |
| 153 | K | B | 0.0000 | |
| 154 | D | B | -0.3495 | |
| 155 | Y | B | 0.0000 | |
| 156 | F | B | 0.0000 | |
| 157 | P | B | 0.0000 | |
| 158 | E | B | -0.4373 | |
| 159 | P | B | -0.6754 | |
| 160 | V | B | -0.7076 | |
| 161 | T | B | -0.6607 | |
| 162 | V | B | -0.2128 | |
| 163 | S | B | -0.3864 | |
| 164 | W | B | 0.0000 | |
| 165 | N | B | -0.6748 | |
| 166 | S | B | -0.6090 | |
| 167 | G | B | -0.4643 | |
| 168 | A | B | -0.2036 | |
| 169 | L | B | 0.0451 | |
| 170 | T | B | -0.1354 | |
| 171 | S | B | -0.1475 | |
| 172 | G | B | -0.1534 | |
| 173 | V | B | 0.2157 | |
| 174 | H | B | -0.3195 | |
| 175 | T | B | -0.1400 | |
| 176 | F | B | 0.0000 | |
| 177 | P | B | -0.2271 | |
| 178 | A | B | 0.3459 | |
| 179 | V | B | 0.5905 | |
| 180 | L | B | 1.2271 | |
| 181 | Q | B | 0.2199 | |
| 182 | S | B | -0.0677 | |
| 183 | S | B | -0.2121 | |
| 184 | G | B | 0.0437 | |
| 185 | L | B | 0.1628 | |
| 186 | Y | B | 0.5146 | |
| 187 | S | B | 0.0000 | |
| 188 | L | B | 0.0000 | |
| 189 | S | B | 0.0000 | |
| 190 | S | B | 0.0000 | |
| 191 | V | B | 0.0000 | |
| 192 | V | B | 0.0000 | |
| 193 | T | B | -0.1040 | |
| 194 | V | B | 0.0000 | |
| 195 | P | B | -0.6046 | |
| 196 | S | B | -0.5674 | |
| 197 | S | B | -0.5708 | |
| 198 | S | B | -0.5397 | |
| 199 | L | B | -0.7702 | |
| 200 | G | B | -0.9352 | |
| 201 | T | B | -0.6499 | |
| 202 | Q | B | -1.1014 | |
| 203 | T | B | -1.0319 | |
| 204 | Y | B | 0.0000 | |
| 205 | I | B | -1.1559 | |
| 206 | C | B | 0.0000 | |
| 207 | N | B | -1.4296 | |
| 208 | V | B | 0.0000 | |
| 209 | N | B | -2.1570 | |
| 210 | H | B | 0.0000 | |
| 211 | K | B | -2.7881 | |
| 212 | P | B | -1.5310 | |
| 213 | S | B | -1.8076 | |
| 214 | N | B | -2.6011 | |
| 215 | T | B | -2.1153 | |
| 216 | K | B | -2.7499 | |
| 217 | V | B | -1.5037 | |
| 218 | D | B | -2.2659 | |
| 219 | K | B | -1.9380 | |
| 220 | K | B | -2.2850 | |
| 221 | V | B | 0.0000 | |
| 222 | E | B | -2.8190 | |
| 223 | P | B | -1.8933 | |
| 224 | K | B | -2.4944 | |
| 225 | S | B | -1.7854 | |
| 226 | C | B | -1.5025 | |
| 227 | D | B | -2.7312 | |
| 228 | K | B | -2.7180 | |
| 229 | T | B | -1.8775 | |
| 230 | H | B | -1.8871 | |
| 231 | T | B | -0.8458 |
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