| Chain sequence(s) |
A: QVQLQQWGAGLLKPSETLSLTCAVYGGSFSGFFWSWIRQPPGKGLEWIGEINHRGSTNYLPSLKSRVTLSVDTSKNQFSLHLSSVTAADTAVYYCASPFYDILTGLDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC
B: DIVMTQIPLSSPVTLGQSASISCRSSQSLVHSDGSTYLSWLQQRPGQPPRLLIYKVSIRFSGVPDRFSGSGAGTDFTLRISRVEPEDVGVYYCMQATQFPLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 (00:05:13)
[INFO] Main: Simulation completed successfully. (00:05:16)
|
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 | -1.4431 | |
| 2 | V | A | 0.0000 | |
| 3 | Q | A | -1.2677 | |
| 4 | L | A | 0.0000 | |
| 5 | Q | A | -0.9611 | |
| 6 | Q | A | 0.0000 | |
| 7 | W | A | 0.2481 | |
| 8 | G | A | 0.0563 | |
| 9 | A | A | -0.1122 | |
| 10 | G | A | -0.1731 | |
| 11 | L | A | -0.2572 | |
| 12 | L | A | 0.0000 | |
| 13 | K | A | -2.2824 | |
| 14 | P | A | -1.5529 | |
| 15 | S | A | -1.4655 | |
| 16 | E | A | -2.0812 | |
| 17 | T | A | -1.2507 | |
| 18 | L | A | 0.0000 | |
| 19 | S | A | -0.4436 | |
| 20 | L | A | 0.0000 | |
| 21 | T | A | -0.0965 | |
| 22 | C | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | V | A | 0.0000 | |
| 25 | Y | A | -0.3427 | |
| 26 | G | A | -0.7558 | |
| 27 | G | A | -0.5569 | |
| 28 | S | A | -0.2782 | |
| 29 | F | A | 0.0000 | |
| 30 | S | A | -0.6740 | |
| 31 | G | A | -0.3708 | |
| 32 | F | A | 0.3164 | |
| 33 | F | A | 0.0944 | |
| 34 | W | A | 0.0000 | |
| 35 | S | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | I | A | 0.0000 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -0.8210 | |
| 40 | P | A | -0.9245 | |
| 41 | P | A | -0.9920 | |
| 42 | G | A | -1.4662 | |
| 43 | K | A | -2.3334 | |
| 44 | G | A | -1.4779 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -0.9636 | |
| 47 | W | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | E | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | N | A | -0.8323 | |
| 53 | H | A | -1.5230 | |
| 54 | R | A | -2.2654 | |
| 55 | G | A | -1.4356 | |
| 56 | S | A | -0.9827 | |
| 57 | T | A | -0.5807 | |
| 58 | N | A | -0.2969 | |
| 59 | Y | A | -0.2809 | |
| 60 | L | A | -0.4915 | |
| 61 | P | A | -0.8302 | |
| 62 | S | A | -0.7556 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -1.9511 | |
| 65 | S | A | -1.2459 | |
| 66 | R | A | -1.1849 | |
| 67 | V | A | 0.0000 | |
| 68 | T | A | -0.6663 | |
| 69 | L | A | 0.0000 | |
| 70 | S | A | -0.5501 | |
| 71 | V | A | -0.9296 | |
| 72 | D | A | -1.5817 | |
| 73 | T | A | -1.5532 | |
| 74 | S | A | -1.3817 | |
| 75 | K | A | -2.1602 | |
| 76 | N | A | -1.5022 | |
| 77 | Q | A | -1.2203 | |
| 78 | F | A | 0.0000 | |
| 79 | S | A | -0.2167 | |
| 80 | L | A | 0.0000 | |
| 81 | H | A | -0.5486 | |
| 82 | L | A | 0.0000 | |
| 83 | S | A | -0.8988 | |
| 84 | S | A | -1.1028 | |
| 85 | V | A | 0.0000 | |
| 86 | T | A | -0.6503 | |
| 87 | A | A | -0.2547 | |
| 88 | A | A | 0.0442 | |
| 89 | D | A | 0.0000 | |
| 90 | T | A | 0.0694 | |
| 91 | A | A | 0.0000 | |
| 92 | V | A | 0.1825 | |
| 93 | Y | A | 0.0000 | |
| 94 | Y | A | 0.0000 | |
| 95 | C | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | S | A | 0.0000 | |
| 98 | P | A | 0.0000 | |
| 99 | F | A | 1.2339 | |
| 100 | Y | A | 1.3692 | |
| 101 | D | A | 0.3219 | |
| 102 | I | A | 1.0966 | |
| 103 | L | A | 0.5054 | |
| 104 | T | A | 0.0000 | |
| 105 | G | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | D | A | 0.0000 | |
| 108 | Y | A | -0.2952 | |
| 109 | W | A | 0.0000 | |
| 110 | G | A | 0.0000 | |
| 111 | Q | A | -1.4700 | |
| 112 | G | A | -0.6277 | |
| 113 | T | A | -0.0745 | |
| 114 | L | A | 0.1598 | |
| 115 | V | A | 0.0000 | |
| 116 | T | A | -0.1848 | |
| 117 | V | A | 0.0000 | |
| 118 | S | A | -0.7247 | |
| 119 | S | A | -0.8423 | |
| 120 | A | A | -0.5677 | |
| 121 | S | A | -0.6838 | |
| 122 | T | A | -0.7721 | |
| 123 | K | A | -1.2714 | |
| 124 | G | A | -1.3526 | |
| 125 | P | A | 0.0000 | |
| 126 | S | A | -0.4012 | |
| 127 | V | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | P | A | -1.0811 | |
| 130 | L | A | 0.0000 | |
| 131 | A | A | -1.0785 | |
| 132 | P | A | 0.0000 | |
| 133 | S | A | -0.6809 | |
| 134 | S | A | -0.5908 | |
| 135 | K | A | -0.7588 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | -0.6279 | |
| 138 | S | A | -0.6763 | |
| 139 | G | A | -0.8019 | |
| 140 | G | A | -0.8703 | |
| 141 | T | A | -0.6053 | |
| 142 | A | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | G | A | 0.0000 | |
| 146 | C | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | V | A | 0.0000 | |
| 149 | K | A | 0.0000 | |
| 150 | D | A | -0.3744 | |
| 151 | Y | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | E | A | -0.3186 | |
| 155 | P | A | -0.5656 | |
| 156 | V | A | -0.5965 | |
| 157 | T | A | -0.5134 | |
| 158 | V | A | -0.2921 | |
| 159 | S | A | -0.3291 | |
| 160 | W | A | 0.0000 | |
| 161 | N | A | -0.6669 | |
| 162 | S | A | -0.6057 | |
| 163 | G | A | -0.4800 | |
| 164 | A | A | -0.2217 | |
| 165 | L | A | 0.0303 | |
| 166 | T | A | -0.1599 | |
| 167 | S | A | -0.1707 | |
| 168 | G | A | -0.1870 | |
| 169 | V | A | 0.1780 | |
| 170 | H | A | -0.1845 | |
| 171 | T | A | 0.0290 | |
| 172 | F | A | 0.0000 | |
| 173 | P | A | -0.2434 | |
| 174 | A | A | 0.2489 | |
| 175 | V | A | 0.5123 | |
| 176 | L | A | 1.1592 | |
| 177 | Q | A | 0.2750 | |
| 178 | S | A | -0.0816 | |
| 179 | S | A | -0.2296 | |
| 180 | G | A | -0.0088 | |
| 181 | L | A | 0.1421 | |
| 182 | Y | A | 0.4656 | |
| 183 | S | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | V | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | T | A | -0.1291 | |
| 190 | V | A | 0.0000 | |
| 191 | P | A | -0.6028 | |
| 192 | S | A | -0.5582 | |
| 193 | S | A | -0.5677 | |
| 194 | S | A | -0.5423 | |
| 195 | L | A | -0.7529 | |
| 196 | G | A | -0.9314 | |
| 197 | T | A | -0.6592 | |
| 198 | Q | A | -1.1037 | |
| 199 | T | A | -0.9977 | |
| 200 | Y | A | 0.0000 | |
| 201 | I | A | -1.0539 | |
| 202 | C | A | 0.0000 | |
| 203 | N | A | -1.3257 | |
| 204 | V | A | 0.0000 | |
| 205 | N | A | -1.8167 | |
| 206 | H | A | 0.0000 | |
| 207 | K | A | -2.6750 | |
| 208 | P | A | -1.5186 | |
| 209 | S | A | -1.8161 | |
| 210 | N | A | -2.5677 | |
| 211 | T | A | -2.0516 | |
| 212 | K | A | -2.6095 | |
| 213 | V | A | -1.4626 | |
| 214 | D | A | -2.1887 | |
| 215 | K | A | -1.9570 | |
| 216 | K | A | -2.1897 | |
| 217 | V | A | 0.0000 | |
| 218 | E | A | -2.6559 | |
| 219 | P | A | -1.5269 | |
| 220 | K | A | -1.4667 | |
| 221 | S | A | -0.5867 | |
| 222 | C | A | 0.1700 | |
| 1 | D | B | -1.4464 | |
| 2 | I | B | 0.0000 | |
| 3 | V | B | 0.7208 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | 0.0006 | |
| 6 | Q | B | 0.0000 | |
| 7 | I | B | 1.3478 | |
| 8 | P | B | 1.2382 | |
| 9 | L | B | 1.5500 | |
| 10 | S | B | 0.4043 | |
| 11 | S | B | -0.1091 | |
| 12 | P | B | -0.7777 | |
| 13 | V | B | 0.0000 | |
| 14 | T | B | -1.1707 | |
| 15 | L | B | -0.9975 | |
| 16 | G | B | -1.6487 | |
| 17 | Q | B | -1.9607 | |
| 18 | S | B | -1.7925 | |
| 19 | A | B | 0.0000 | |
| 20 | S | B | -0.7577 | |
| 21 | I | B | 0.0000 | |
| 22 | S | B | -0.3454 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -1.7963 | |
| 25 | S | B | 0.0000 | |
| 26 | S | B | -0.9190 | |
| 27 | Q | B | -1.5562 | |
| 28 | S | B | -0.8570 | |
| 29 | L | B | 0.0000 | |
| 30 | V | B | 0.4420 | |
| 31 | H | B | -0.6436 | |
| 32 | S | B | -1.0293 | |
| 33 | D | B | -1.9759 | |
| 34 | G | B | -1.0988 | |
| 35 | S | B | -0.6193 | |
| 36 | T | B | -0.1296 | |
| 37 | Y | B | 0.0000 | |
| 38 | L | B | 0.0000 | |
| 39 | S | B | 0.0000 | |
| 40 | W | B | 0.0000 | |
| 41 | L | B | 0.0000 | |
| 42 | Q | B | -0.8294 | |
| 43 | Q | B | -0.9321 | |
| 44 | R | B | -1.2817 | |
| 45 | P | B | -0.8952 | |
| 46 | G | B | -1.0885 | |
| 47 | Q | B | -1.2837 | |
| 48 | P | B | -1.1234 | |
| 49 | P | B | 0.0000 | |
| 50 | R | B | -1.6295 | |
| 51 | L | B | 0.0000 | |
| 52 | L | B | 0.0000 | |
| 53 | I | B | 0.0000 | |
| 54 | Y | B | -0.0015 | |
| 55 | K | B | -0.4259 | |
| 56 | V | B | 0.0000 | |
| 57 | S | B | -0.2066 | |
| 58 | I | B | 0.2923 | |
| 59 | R | B | -1.0878 | |
| 60 | F | B | -0.4387 | |
| 61 | S | B | -0.4634 | |
| 62 | G | B | -0.8718 | |
| 63 | V | B | -1.0408 | |
| 64 | P | B | -1.2663 | |
| 65 | D | B | -2.1867 | |
| 66 | R | B | -1.9785 | |
| 67 | F | B | 0.0000 | |
| 68 | S | B | -1.2119 | |
| 69 | G | B | -0.7735 | |
| 70 | S | B | -0.7768 | |
| 71 | G | B | -0.9504 | |
| 72 | A | B | -0.4726 | |
| 73 | G | B | -0.5447 | |
| 74 | T | B | -1.3216 | |
| 75 | D | B | -1.9576 | |
| 76 | F | B | 0.0000 | |
| 77 | T | B | -0.9631 | |
| 78 | L | B | 0.0000 | |
| 79 | R | B | -1.9687 | |
| 80 | I | B | 0.0000 | |
| 81 | S | B | -2.2283 | |
| 82 | R | B | -2.7496 | |
| 83 | V | B | 0.0000 | |
| 84 | E | B | -2.4325 | |
| 85 | P | B | -2.1493 | |
| 86 | E | B | -2.3696 | |
| 87 | D | B | 0.0000 | |
| 88 | V | B | 0.0000 | |
| 89 | G | B | 0.0000 | |
| 90 | V | B | -0.1260 | |
| 91 | Y | B | 0.0000 | |
| 92 | Y | B | 0.0000 | |
| 93 | C | B | 0.0000 | |
| 94 | M | B | 0.0000 | |
| 95 | Q | B | 0.0000 | |
| 96 | A | B | 0.0000 | |
| 97 | T | B | 0.0000 | |
| 98 | Q | B | -0.8196 | |
| 99 | F | B | 0.2886 | |
| 100 | P | B | -0.0579 | |
| 101 | L | B | 0.0000 | |
| 102 | T | B | -0.0245 | |
| 103 | F | B | 0.1161 | |
| 104 | G | B | 0.0000 | |
| 105 | Q | B | -0.5736 | |
| 106 | G | B | 0.0000 | |
| 107 | T | B | 0.0000 | |
| 108 | K | B | -0.4055 | |
| 109 | V | B | 0.0000 | |
| 110 | E | B | -1.0338 | |
| 111 | I | B | 0.0000 | |
| 112 | K | B | -1.2377 | |
| 113 | R | B | -0.7703 | |
| 114 | T | B | 0.0361 | |
| 115 | V | B | 0.3410 | |
| 116 | A | B | -0.0313 | |
| 117 | A | B | -0.0808 | |
| 118 | P | B | 0.0000 | |
| 119 | S | B | -0.1497 | |
| 120 | V | B | 0.0000 | |
| 121 | F | B | 0.0000 | |
| 122 | I | B | 0.0000 | |
| 123 | F | B | 0.0000 | |
| 124 | P | B | -0.4484 | |
| 125 | P | B | 0.0000 | |
| 126 | S | B | -1.7094 | |
| 127 | D | B | -2.8871 | |
| 128 | E | B | -2.8826 | |
| 129 | Q | B | 0.0000 | |
| 130 | L | B | -2.2896 | |
| 131 | K | B | -2.8275 | |
| 132 | S | B | -1.7440 | |
| 133 | G | B | -1.2625 | |
| 134 | T | B | -0.9939 | |
| 135 | A | B | 0.0000 | |
| 136 | S | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | V | B | 0.0000 | |
| 139 | C | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | 0.0000 | |
| 142 | N | B | 0.0000 | |
| 143 | N | B | -0.7861 | |
| 144 | F | B | 0.0000 | |
| 145 | Y | B | 0.0000 | |
| 146 | P | B | -1.7372 | |
| 147 | R | B | -2.9611 | |
| 148 | E | B | -3.1742 | |
| 149 | A | B | -2.1196 | |
| 150 | K | B | -1.9683 | |
| 151 | V | B | -0.8586 | |
| 152 | Q | B | -0.6519 | |
| 153 | W | B | 0.0000 | |
| 154 | K | B | -0.6483 | |
| 155 | V | B | 0.0000 | |
| 156 | D | B | -1.9169 | |
| 157 | N | B | -1.5538 | |
| 158 | A | B | -0.3355 | |
| 159 | L | B | 0.5475 | |
| 160 | Q | B | -0.3953 | |
| 161 | S | B | -0.6988 | |
| 162 | G | B | -1.2667 | |
| 163 | N | B | -1.5778 | |
| 164 | S | B | -1.4036 | |
| 165 | Q | B | -1.3166 | |
| 166 | E | B | -1.4411 | |
| 167 | S | B | -0.6699 | |
| 168 | V | B | -0.4524 | |
| 169 | T | B | -0.6650 | |
| 170 | E | B | -1.3428 | |
| 171 | Q | B | 0.0000 | |
| 172 | D | B | -1.7490 | |
| 173 | S | B | -2.1711 | |
| 174 | K | B | -2.6880 | |
| 175 | D | B | -1.9986 | |
| 176 | S | B | 0.0000 | |
| 177 | T | B | 0.0000 | |
| 178 | Y | B | 0.0000 | |
| 179 | S | B | 0.0000 | |
| 180 | L | B | 0.0000 | |
| 181 | S | B | 0.0000 | |
| 182 | S | B | 0.0000 | |
| 183 | T | B | -0.6565 | |
| 184 | L | B | 0.0000 | |
| 185 | T | B | -0.6181 | |
| 186 | L | B | -0.7607 | |
| 187 | S | B | -0.9825 | |
| 188 | K | B | -2.0514 | |
| 189 | A | B | -1.7865 | |
| 190 | D | B | -2.2883 | |
| 191 | Y | B | 0.0000 | |
| 192 | E | B | -3.4780 | |
| 193 | K | B | -3.5478 | |
| 194 | H | B | -2.9056 | |
| 195 | K | B | -3.1500 | |
| 196 | V | B | -1.3325 | |
| 197 | Y | B | 0.0000 | |
| 198 | A | B | 0.0000 | |
| 199 | C | B | 0.0000 | |
| 200 | E | B | -0.6590 | |
| 201 | V | B | 0.0000 | |
| 202 | T | B | -0.9990 | |
| 203 | H | B | 0.0000 | |
| 204 | Q | B | -1.7154 | |
| 205 | G | B | -0.4252 | |
| 206 | L | B | -0.2041 | |
| 207 | S | B | -0.4315 | |
| 208 | S | B | -0.3735 | |
| 209 | P | B | -0.4270 | |
| 210 | V | B | 0.2789 | |
| 211 | T | B | -0.1927 | |
| 212 | K | B | -0.4001 | |
| 213 | S | B | -0.4464 | |
| 214 | F | B | 0.0000 | |
| 215 | N | B | -1.6988 | |
| 216 | R | B | -2.2959 | |
| 217 | G | B | -1.8237 | |
| 218 | E | B | -2.0061 | |
| 219 | C | B | -0.5693 |
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