| Chain sequence(s) |
A: QVQLVQSGAEGRKPGSSVKVSCKVSGDTFSSYAISWVRQAPGQGLEWMGGIIPIFGAADYAQKFKGRVTISADESTSTAYMELSSLRSEDTAVYYCAKGPDYYGSFDPWGQGTLITVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC
B: DIQMTQSPSSLSASVGDRVTITCRASQSIGTYLNWYQQKPGKAPKLLIYDASSLEDGVPSRFSGSGSGTDFTLTISSLQPEDSATYYCQQSYTMPLYTFGQGTKLEIKRSVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:03)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:11:53)
[INFO] Main: Simulation completed successfully. (00:11:59)
|
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 | -1.8844 | |
| 2 | V | A | 0.0000 | |
| 3 | Q | A | -1.8574 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | -0.5919 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.9483 | |
| 8 | G | A | -1.0442 | |
| 9 | A | A | -0.9514 | |
| 10 | E | A | -1.5291 | |
| 11 | G | A | -1.3945 | |
| 12 | R | A | -2.0792 | |
| 13 | K | A | -2.6681 | |
| 14 | P | A | -2.3196 | |
| 15 | G | A | -1.6706 | |
| 16 | S | A | -1.3566 | |
| 17 | S | A | -1.4962 | |
| 18 | V | A | 0.0000 | |
| 19 | K | A | -2.1159 | |
| 20 | V | A | 0.0000 | |
| 21 | S | A | -0.8145 | |
| 22 | C | A | 0.0000 | |
| 23 | K | A | -1.6036 | |
| 24 | V | A | 0.0000 | |
| 25 | S | A | -1.5117 | |
| 26 | G | A | -1.8222 | |
| 27 | D | A | -2.1036 | |
| 28 | T | A | -1.0281 | |
| 29 | F | A | 0.0000 | |
| 30 | S | A | 0.3931 | |
| 31 | S | A | 0.7129 | |
| 32 | Y | A | 0.3798 | |
| 33 | A | A | 0.5769 | |
| 34 | I | A | 0.0000 | |
| 35 | S | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | -0.4409 | |
| 39 | Q | A | -0.6699 | |
| 40 | A | A | -1.0162 | |
| 41 | P | A | -0.8292 | |
| 42 | G | A | -1.2114 | |
| 43 | Q | A | -1.8908 | |
| 44 | G | A | -1.3680 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -0.5973 | |
| 47 | W | A | 0.0000 | |
| 48 | M | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | G | A | -0.3042 | |
| 51 | I | A | 0.0000 | |
| 52 | I | A | 1.6865 | |
| 53 | P | A | 0.0000 | |
| 54 | I | A | 2.6856 | |
| 55 | F | A | 2.8874 | |
| 56 | G | A | 0.9986 | |
| 57 | A | A | 0.6301 | |
| 58 | A | A | -0.2161 | |
| 59 | D | A | -1.2621 | |
| 60 | Y | A | -1.5572 | |
| 61 | A | A | 0.0000 | |
| 62 | Q | A | -2.7223 | |
| 63 | K | A | -2.8651 | |
| 64 | F | A | 0.0000 | |
| 65 | K | A | -3.0911 | |
| 66 | G | A | -1.9162 | |
| 67 | R | A | -1.6643 | |
| 68 | V | A | 0.0000 | |
| 69 | T | A | -1.1000 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.4605 | |
| 72 | A | A | -0.4165 | |
| 73 | D | A | -1.5304 | |
| 74 | E | A | -1.6494 | |
| 75 | S | A | -1.1758 | |
| 76 | T | A | -1.1272 | |
| 77 | S | A | -1.5142 | |
| 78 | T | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | Y | A | -0.7168 | |
| 81 | M | A | 0.0000 | |
| 82 | E | A | -1.6385 | |
| 83 | L | A | 0.0000 | |
| 84 | S | A | -1.2430 | |
| 85 | S | A | -1.2329 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -3.1212 | |
| 88 | S | A | -2.3938 | |
| 89 | E | A | -2.5475 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -1.0729 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.1156 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | K | A | -0.7109 | |
| 99 | G | A | 0.0000 | |
| 100 | P | A | -0.0913 | |
| 101 | D | A | -0.4944 | |
| 102 | Y | A | 0.8562 | |
| 103 | Y | A | 0.8736 | |
| 104 | G | A | 0.0000 | |
| 105 | S | A | 0.0000 | |
| 106 | F | A | 0.0000 | |
| 107 | D | A | -1.0028 | |
| 108 | P | A | -1.0426 | |
| 109 | W | A | 0.0000 | |
| 110 | G | A | 0.0000 | |
| 111 | Q | A | -1.6458 | |
| 112 | G | A | -0.8600 | |
| 113 | T | A | 0.0000 | |
| 114 | L | A | -0.1602 | |
| 115 | I | A | 0.0000 | |
| 116 | T | A | -1.1211 | |
| 117 | V | A | 0.0000 | |
| 118 | S | A | -1.5628 | |
| 119 | S | A | -1.0704 | |
| 120 | A | A | -0.6848 | |
| 121 | S | A | -0.7904 | |
| 122 | T | A | -0.8308 | |
| 123 | K | A | -1.1886 | |
| 124 | G | A | -1.3158 | |
| 125 | P | A | -0.5850 | |
| 126 | S | A | -0.3581 | |
| 127 | V | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | P | A | -1.0650 | |
| 130 | L | A | 0.0000 | |
| 131 | A | A | -1.2228 | |
| 132 | P | A | 0.0000 | |
| 133 | S | A | -0.9625 | |
| 134 | S | A | -0.8247 | |
| 135 | K | A | -1.1552 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | -0.7371 | |
| 138 | S | A | -0.7351 | |
| 139 | G | A | -0.8072 | |
| 140 | G | A | -0.8697 | |
| 141 | T | A | -0.6085 | |
| 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 | -0.3806 | |
| 151 | Y | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | E | A | -0.5034 | |
| 155 | P | A | -0.7003 | |
| 156 | V | A | 0.0000 | |
| 157 | T | A | -0.5888 | |
| 158 | V | A | -0.1664 | |
| 159 | S | A | -0.3239 | |
| 160 | W | A | 0.0000 | |
| 161 | N | A | -0.6650 | |
| 162 | S | A | -0.5961 | |
| 163 | G | A | -0.4602 | |
| 164 | A | A | -0.1928 | |
| 165 | L | A | 0.0504 | |
| 166 | T | A | -0.1386 | |
| 167 | S | A | -0.1615 | |
| 168 | G | A | -0.1815 | |
| 169 | V | A | 0.1935 | |
| 170 | H | A | -0.2864 | |
| 171 | T | A | 0.0349 | |
| 172 | F | A | 0.0000 | |
| 173 | P | A | -0.2805 | |
| 174 | A | A | 0.2592 | |
| 175 | V | A | 0.5303 | |
| 176 | L | A | 1.1285 | |
| 177 | Q | A | 0.2637 | |
| 178 | S | A | -0.0762 | |
| 179 | S | A | -0.2166 | |
| 180 | G | A | 0.0281 | |
| 181 | L | A | 0.1331 | |
| 182 | Y | A | 0.4393 | |
| 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 | -0.1231 | |
| 190 | V | A | 0.0000 | |
| 191 | P | A | -0.5965 | |
| 192 | S | A | -0.5554 | |
| 193 | S | A | -0.5588 | |
| 194 | S | A | -0.5274 | |
| 195 | L | A | -0.7232 | |
| 196 | G | A | -0.9111 | |
| 197 | T | A | -0.6458 | |
| 198 | Q | A | -1.0873 | |
| 199 | T | A | -1.0479 | |
| 200 | Y | A | 0.0000 | |
| 201 | I | A | -1.2254 | |
| 202 | C | A | 0.0000 | |
| 203 | N | A | -1.3554 | |
| 204 | V | A | 0.0000 | |
| 205 | N | A | -1.7742 | |
| 206 | H | A | 0.0000 | |
| 207 | K | A | -2.8918 | |
| 208 | P | A | -1.9056 | |
| 209 | S | A | -1.9006 | |
| 210 | N | A | -2.5262 | |
| 211 | T | A | -2.0165 | |
| 212 | K | A | -2.5878 | |
| 213 | V | A | -1.4316 | |
| 214 | D | A | -2.2394 | |
| 215 | K | A | -2.0333 | |
| 216 | K | A | -2.4757 | |
| 217 | V | A | 0.0000 | |
| 218 | E | A | -2.8634 | |
| 219 | P | A | -1.8636 | |
| 220 | K | A | -2.0565 | |
| 221 | S | A | -0.8695 | |
| 222 | C | A | 0.0931 | |
| 1 | D | B | -2.1787 | |
| 2 | I | B | 0.0000 | |
| 3 | Q | B | -2.2863 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -1.4676 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.7839 | |
| 8 | P | B | -0.6233 | |
| 9 | S | B | -1.0321 | |
| 10 | S | B | -1.0596 | |
| 11 | L | B | -0.6756 | |
| 12 | S | B | -0.8852 | |
| 13 | A | B | -1.0600 | |
| 14 | S | B | -1.1103 | |
| 15 | V | B | -0.4566 | |
| 16 | G | B | -1.0519 | |
| 17 | D | B | -2.0731 | |
| 18 | R | B | -2.4189 | |
| 19 | V | B | 0.0000 | |
| 20 | T | B | -0.6387 | |
| 21 | I | B | 0.0000 | |
| 22 | T | B | -0.8254 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -2.7207 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -1.9104 | |
| 27 | Q | B | -1.9511 | |
| 28 | S | B | -0.9836 | |
| 29 | I | B | 0.0000 | |
| 30 | G | B | -0.3100 | |
| 31 | T | B | -0.0228 | |
| 32 | Y | B | 0.9269 | |
| 33 | L | B | 0.0000 | |
| 34 | N | B | 0.0000 | |
| 35 | W | B | 0.0000 | |
| 36 | Y | B | 0.0000 | |
| 37 | Q | B | -1.1151 | |
| 38 | Q | B | -1.5020 | |
| 39 | K | B | -2.0647 | |
| 40 | P | B | -1.5589 | |
| 41 | G | B | -1.8120 | |
| 42 | K | B | -2.6556 | |
| 43 | A | B | -1.7552 | |
| 44 | P | B | 0.0000 | |
| 45 | K | B | -1.7913 | |
| 46 | L | B | 0.0000 | |
| 47 | L | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | Y | B | 0.2019 | |
| 50 | D | B | -0.0554 | |
| 51 | A | B | 0.0000 | |
| 52 | S | B | -0.3615 | |
| 53 | S | B | -0.2983 | |
| 54 | L | B | -0.2342 | |
| 55 | E | B | -1.2735 | |
| 56 | D | B | -2.0464 | |
| 57 | G | B | -1.3245 | |
| 58 | V | B | -0.9222 | |
| 59 | P | B | -0.6413 | |
| 60 | S | B | -0.6187 | |
| 61 | R | B | -0.7110 | |
| 62 | F | B | 0.0000 | |
| 63 | S | B | -0.3273 | |
| 64 | G | B | -0.3256 | |
| 65 | S | B | -0.7292 | |
| 66 | G | B | -1.1025 | |
| 67 | S | B | -0.9711 | |
| 68 | G | B | -1.0446 | |
| 69 | T | B | -1.6511 | |
| 70 | D | B | -2.0254 | |
| 71 | F | B | 0.0000 | |
| 72 | T | B | -0.7375 | |
| 73 | L | B | 0.0000 | |
| 74 | T | B | -0.5997 | |
| 75 | I | B | 0.0000 | |
| 76 | S | B | -1.3293 | |
| 77 | S | B | -1.2590 | |
| 78 | L | B | 0.0000 | |
| 79 | Q | B | -1.0900 | |
| 80 | P | B | -1.7373 | |
| 81 | E | B | -2.0920 | |
| 82 | D | B | 0.0000 | |
| 83 | S | B | -1.7915 | |
| 84 | A | B | -1.3056 | |
| 85 | T | B | -1.2118 | |
| 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 | S | B | 0.0000 | |
| 92 | Y | B | 1.6305 | |
| 93 | T | B | 0.9015 | |
| 94 | M | B | 1.2545 | |
| 95 | P | B | 0.4777 | |
| 96 | L | B | 0.0825 | |
| 97 | Y | B | 0.0000 | |
| 98 | T | B | -0.4310 | |
| 99 | F | B | -0.4205 | |
| 100 | G | B | 0.0000 | |
| 101 | Q | B | -1.7906 | |
| 102 | G | B | 0.0000 | |
| 103 | T | B | 0.0000 | |
| 104 | K | B | -2.1207 | |
| 105 | L | B | 0.0000 | |
| 106 | E | B | -1.4495 | |
| 107 | I | B | 0.0000 | |
| 108 | K | B | -1.4523 | |
| 109 | R | B | -1.0106 | |
| 110 | S | B | -0.2456 | |
| 111 | V | B | 0.3789 | |
| 112 | A | B | 0.0080 | |
| 113 | A | B | -0.1114 | |
| 114 | P | B | 0.0000 | |
| 115 | S | B | -0.2195 | |
| 116 | V | B | 0.0000 | |
| 117 | F | B | 0.0000 | |
| 118 | I | B | 0.0000 | |
| 119 | F | B | 0.0000 | |
| 120 | P | B | -0.5808 | |
| 121 | P | B | 0.0000 | |
| 122 | S | B | -1.6367 | |
| 123 | D | B | -2.7082 | |
| 124 | E | B | -2.5258 | |
| 125 | Q | B | 0.0000 | |
| 126 | L | B | -2.1007 | |
| 127 | K | B | -2.6731 | |
| 128 | S | B | -1.6333 | |
| 129 | G | B | -1.1347 | |
| 130 | T | B | -0.8779 | |
| 131 | A | B | 0.0000 | |
| 132 | S | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | V | B | 0.0000 | |
| 135 | C | B | 0.0000 | |
| 136 | L | B | 0.0000 | |
| 137 | L | B | 0.0000 | |
| 138 | N | B | 0.0000 | |
| 139 | N | B | -0.8042 | |
| 140 | F | B | 0.0000 | |
| 141 | Y | B | 0.0000 | |
| 142 | P | B | -1.4084 | |
| 143 | R | B | -2.3084 | |
| 144 | E | B | -2.8816 | |
| 145 | A | B | -2.1609 | |
| 146 | K | B | -2.4625 | |
| 147 | V | B | -1.2262 | |
| 148 | Q | B | -0.9096 | |
| 149 | W | B | 0.0000 | |
| 150 | K | B | -0.5752 | |
| 151 | V | B | 0.0000 | |
| 152 | D | B | -1.6230 | |
| 153 | N | B | -1.4034 | |
| 154 | A | B | -0.2591 | |
| 155 | L | B | 0.5469 | |
| 156 | Q | B | -0.4092 | |
| 157 | S | B | -0.7122 | |
| 158 | G | B | -1.2584 | |
| 159 | N | B | -1.5555 | |
| 160 | S | B | -1.3958 | |
| 161 | Q | B | -1.2682 | |
| 162 | E | B | -1.3684 | |
| 163 | S | B | -0.7332 | |
| 164 | V | B | -0.6108 | |
| 165 | T | B | -1.0488 | |
| 166 | E | B | -2.1399 | |
| 167 | Q | B | -1.9505 | |
| 168 | D | B | -2.0555 | |
| 169 | S | B | -2.2708 | |
| 170 | K | B | -2.5712 | |
| 171 | D | B | -1.7820 | |
| 172 | S | B | 0.0000 | |
| 173 | T | B | 0.0000 | |
| 174 | Y | B | 0.0000 | |
| 175 | S | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | S | B | 0.0000 | |
| 178 | S | B | 0.0000 | |
| 179 | T | B | -0.6261 | |
| 180 | L | B | 0.0000 | |
| 181 | T | B | -0.5902 | |
| 182 | L | B | -0.7259 | |
| 183 | S | B | -0.9196 | |
| 184 | K | B | -1.9347 | |
| 185 | A | B | -1.7470 | |
| 186 | D | B | -2.2585 | |
| 187 | Y | B | 0.0000 | |
| 188 | E | B | -3.4397 | |
| 189 | K | B | -3.4372 | |
| 190 | H | B | -2.5814 | |
| 191 | K | B | -2.4829 | |
| 192 | V | B | -1.0492 | |
| 193 | Y | B | 0.0000 | |
| 194 | A | B | 0.0000 | |
| 195 | C | B | 0.0000 | |
| 196 | E | B | -0.7827 | |
| 197 | V | B | 0.0000 | |
| 198 | T | B | -1.2669 | |
| 199 | H | B | 0.0000 | |
| 200 | Q | B | -1.6610 | |
| 201 | G | B | -0.4228 | |
| 202 | L | B | -0.2279 | |
| 203 | S | B | -0.4527 | |
| 204 | S | B | -0.4114 | |
| 205 | P | B | -0.5273 | |
| 206 | V | B | 0.0766 | |
| 207 | T | B | -0.4183 | |
| 208 | K | B | -0.7834 | |
| 209 | S | B | -0.6165 | |
| 210 | F | B | 0.0000 | |
| 211 | N | B | -1.4543 | |
| 212 | R | B | -2.0018 | |
| 213 | G | B | -1.7716 | |
| 214 | E | B | -1.8817 | |
| 215 | C | B | -0.6184 |
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