| Chain sequence(s) |
A: GLADALTAPLDHKDKGLQSLTLDQSVRKNEKLKLAAQGAEKTYGNGDSLNTGKLKNDKVSRFDFIRQIEVDGQLITLESGEFQVYKQSHSALTAFQTEQIQDSEHSGKMVAKRQFRIGDLGGEHTAFNQLPDGKAEYRGTAFGSDDAGGKLTYTIDFTKKQGNGKIEHLKSPELNVELASAEIKADGKSHAVILGDVRYGSEEKGSYSLGIFGGRAQEVAGSAEVKTVNGIRHIGLAAKQL
B: GLADALTAPLDHKDKGLQSLTLDQSVRKNEKLKLAAQGAEKTYGNGDSLNTGKLKNDKVSRFDFIRQIEVDGQLITLESGEFQVYKQSHSALTAFQTEQIQDSEHSGKMVAKRQFRIGDLGGEHTAFNQLPDGKAEYRGTAFGSDDAGGKLTYTIDFTKKQGNGKIEHLKSPELNVELASAEIKADGKSHAVILGDVRYGSEEEKGSYSLGIFGGRAQEVAGSAEVKTVNGIRHIGLAAKQ 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:14:03)
[INFO] Main: Simulation completed successfully. (00:14:08)
|
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 | |
| 15 | G | A | -1.3256 | |
| 16 | L | A | -1.4741 | |
| 17 | A | A | -1.5281 | |
| 18 | D | A | -1.6724 | |
| 19 | A | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | T | A | -0.9085 | |
| 22 | A | A | -0.5206 | |
| 23 | P | A | -0.3187 | |
| 24 | L | A | -0.2619 | |
| 25 | D | A | -1.6489 | |
| 26 | H | A | -2.4368 | |
| 27 | K | A | -2.9355 | |
| 28 | D | A | -2.5840 | |
| 29 | K | A | -3.0833 | |
| 30 | G | A | -2.0631 | |
| 31 | L | A | 0.0000 | |
| 32 | Q | A | -1.4512 | |
| 33 | S | A | -0.5285 | |
| 34 | L | A | 0.0000 | |
| 35 | T | A | -1.2225 | |
| 36 | L | A | 0.0000 | |
| 37 | D | A | -3.2491 | |
| 38 | Q | A | -2.5941 | |
| 39 | S | A | 0.0000 | |
| 40 | V | A | 0.0000 | |
| 41 | R | A | -3.1410 | |
| 42 | K | A | -3.1348 | |
| 43 | N | A | -1.7366 | |
| 44 | E | A | 0.0000 | |
| 45 | K | A | -1.4555 | |
| 46 | L | A | 0.0000 | |
| 47 | K | A | -1.4537 | |
| 48 | L | A | 0.0000 | |
| 49 | A | A | -2.1968 | |
| 50 | A | A | -2.1517 | |
| 51 | Q | A | -2.0081 | |
| 52 | G | A | -1.3982 | |
| 53 | A | A | -1.7739 | |
| 54 | E | A | -2.8833 | |
| 55 | K | A | -1.8092 | |
| 56 | T | A | -1.2720 | |
| 57 | Y | A | 0.0000 | |
| 58 | G | A | -1.8243 | |
| 59 | N | A | -2.7468 | |
| 60 | G | A | -2.2766 | |
| 61 | D | A | -1.7252 | |
| 62 | S | A | -1.0208 | |
| 63 | L | A | 0.0000 | |
| 64 | N | A | 0.0000 | |
| 65 | T | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | K | A | -1.8312 | |
| 68 | L | A | 0.0000 | |
| 69 | K | A | -2.7692 | |
| 70 | N | A | -2.2286 | |
| 71 | D | A | -1.8257 | |
| 72 | K | A | -2.4871 | |
| 73 | V | A | -1.4001 | |
| 74 | S | A | -1.6610 | |
| 75 | R | A | -2.3748 | |
| 76 | F | A | 0.0000 | |
| 77 | D | A | -2.6373 | |
| 78 | F | A | 0.0000 | |
| 79 | I | A | -0.4337 | |
| 80 | R | A | -0.4013 | |
| 81 | Q | A | -0.3632 | |
| 82 | I | A | 0.0000 | |
| 83 | E | A | -1.2189 | |
| 84 | V | A | 0.0000 | |
| 85 | D | A | -2.6270 | |
| 86 | G | A | -2.0029 | |
| 87 | Q | A | -1.3595 | |
| 88 | L | A | 0.2278 | |
| 89 | I | A | 0.3251 | |
| 90 | T | A | 0.0024 | |
| 91 | L | A | 0.0495 | |
| 92 | E | A | 0.0000 | |
| 93 | S | A | -0.7547 | |
| 94 | G | A | -1.2355 | |
| 95 | E | A | -1.4815 | |
| 96 | F | A | 0.0000 | |
| 97 | Q | A | 0.0000 | |
| 98 | V | A | 0.0000 | |
| 99 | Y | A | 0.0000 | |
| 100 | K | A | 0.0000 | |
| 101 | Q | A | 0.0000 | |
| 102 | S | A | -1.2010 | |
| 103 | H | A | -1.3070 | |
| 104 | S | A | 0.0000 | |
| 105 | A | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | T | A | 0.0000 | |
| 108 | A | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | Q | A | 0.0000 | |
| 111 | T | A | 0.0000 | |
| 112 | E | A | -1.3334 | |
| 113 | Q | A | -1.0597 | |
| 114 | I | A | -0.3469 | |
| 115 | Q | A | -0.9933 | |
| 116 | D | A | -1.7180 | |
| 117 | S | A | -2.1846 | |
| 118 | E | A | -2.9073 | |
| 119 | H | A | -2.6358 | |
| 120 | S | A | -1.7354 | |
| 121 | G | A | -1.6909 | |
| 122 | K | A | -2.1406 | |
| 123 | M | A | -0.7838 | |
| 124 | V | A | -0.2618 | |
| 125 | A | A | -0.4246 | |
| 126 | K | A | -1.3315 | |
| 127 | R | A | -1.7424 | |
| 128 | Q | A | -1.7765 | |
| 129 | F | A | -0.9084 | |
| 130 | R | A | -0.5098 | |
| 131 | I | A | -0.0276 | |
| 132 | G | A | -0.4926 | |
| 133 | D | A | 0.0000 | |
| 134 | L | A | 0.1607 | |
| 135 | G | A | -0.5675 | |
| 136 | G | A | -1.2840 | |
| 137 | E | A | -2.2911 | |
| 138 | H | A | -1.5881 | |
| 139 | T | A | 0.0000 | |
| 140 | A | A | -1.5253 | |
| 141 | F | A | -1.1650 | |
| 142 | N | A | -1.6084 | |
| 143 | Q | A | -2.1464 | |
| 144 | L | A | -1.6714 | |
| 145 | P | A | -2.1498 | |
| 146 | D | A | -2.9283 | |
| 147 | G | A | -2.2992 | |
| 148 | K | A | -3.0716 | |
| 149 | A | A | 0.0000 | |
| 150 | E | A | -2.6442 | |
| 151 | Y | A | 0.0000 | |
| 152 | R | A | -2.6823 | |
| 153 | G | A | -1.7880 | |
| 154 | T | A | -1.5226 | |
| 155 | A | A | 0.0000 | |
| 156 | F | A | 0.0000 | |
| 157 | G | A | 0.0000 | |
| 158 | S | A | -1.3727 | |
| 159 | D | A | -2.1874 | |
| 160 | D | A | -1.7599 | |
| 161 | A | A | -1.3407 | |
| 162 | G | A | -1.5174 | |
| 163 | G | A | 0.0000 | |
| 164 | K | A | -2.6021 | |
| 165 | L | A | 0.0000 | |
| 166 | T | A | -2.0914 | |
| 167 | Y | A | 0.0000 | |
| 168 | T | A | -1.8197 | |
| 169 | I | A | 0.0000 | |
| 170 | D | A | -2.8531 | |
| 171 | F | A | 0.0000 | |
| 172 | T | A | -2.2586 | |
| 173 | K | A | -3.2322 | |
| 174 | K | A | -3.4865 | |
| 175 | Q | A | -2.9357 | |
| 176 | G | A | 0.0000 | |
| 177 | N | A | -1.7898 | |
| 178 | G | A | -1.5604 | |
| 179 | K | A | -1.9535 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | -2.5212 | |
| 182 | H | A | -2.3820 | |
| 183 | L | A | 0.0000 | |
| 184 | K | A | -2.6411 | |
| 185 | S | A | -1.6481 | |
| 186 | P | A | -1.5644 | |
| 187 | E | A | -1.6100 | |
| 188 | L | A | -1.4421 | |
| 189 | N | A | -1.8639 | |
| 190 | V | A | 0.0000 | |
| 191 | E | A | -2.6845 | |
| 192 | L | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | S | A | -1.3323 | |
| 195 | A | A | 0.0000 | |
| 196 | E | A | -2.8747 | |
| 197 | I | A | 0.0000 | |
| 198 | K | A | -1.9930 | |
| 199 | A | A | -1.6812 | |
| 200 | D | A | -1.8648 | |
| 201 | G | A | -1.9150 | |
| 202 | K | A | -2.3104 | |
| 203 | S | A | -1.8206 | |
| 204 | H | A | -1.7752 | |
| 205 | A | A | 0.0000 | |
| 206 | V | A | -0.5311 | |
| 207 | I | A | 0.0000 | |
| 208 | L | A | 0.2484 | |
| 209 | G | A | -0.6919 | |
| 210 | D | A | -1.9970 | |
| 211 | V | A | 0.0000 | |
| 212 | R | A | -2.7080 | |
| 213 | Y | A | -1.4660 | |
| 214 | G | A | -1.3809 | |
| 215 | S | A | -1.6909 | |
| 216 | E | A | -3.1029 | |
| 217 | E | A | -2.8400 | |
| 218 | K | A | -2.2097 | |
| 219 | G | A | 0.0000 | |
| 220 | S | A | -0.9879 | |
| 221 | Y | A | 0.0000 | |
| 222 | S | A | 0.1808 | |
| 223 | L | A | 0.0000 | |
| 224 | G | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | F | A | 0.0000 | |
| 227 | G | A | 0.0000 | |
| 228 | G | A | -2.0177 | |
| 229 | R | A | -2.6003 | |
| 230 | A | A | 0.0000 | |
| 231 | Q | A | -1.5518 | |
| 232 | E | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | G | A | 0.0000 | |
| 236 | S | A | 0.0842 | |
| 237 | A | A | 0.0000 | |
| 238 | E | A | -0.5120 | |
| 239 | V | A | 0.0000 | |
| 240 | K | A | 0.0000 | |
| 241 | T | A | 0.0000 | |
| 242 | V | A | 0.2639 | |
| 243 | N | A | -0.8006 | |
| 244 | G | A | 0.0000 | |
| 245 | I | A | 0.0754 | |
| 246 | R | A | -0.6412 | |
| 247 | H | A | -0.5552 | |
| 248 | I | A | 0.0000 | |
| 249 | G | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | A | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | K | A | -1.7081 | |
| 254 | Q | A | -1.3400 | |
| 255 | L | A | 0.4147 | |
| 15 | G | B | -1.2917 | |
| 16 | L | B | -1.4347 | |
| 17 | A | B | -1.4581 | |
| 18 | D | B | -1.3129 | |
| 19 | A | B | 0.0000 | |
| 20 | L | B | 0.0000 | |
| 21 | T | B | -0.8218 | |
| 22 | A | B | -0.2779 | |
| 23 | P | B | 0.0848 | |
| 24 | L | B | 0.4682 | |
| 25 | D | B | -1.1936 | |
| 26 | H | B | -2.0942 | |
| 27 | K | B | -2.6940 | |
| 28 | D | B | -2.3050 | |
| 29 | K | B | -2.9035 | |
| 30 | G | B | -1.8493 | |
| 31 | L | B | 0.0000 | |
| 32 | Q | B | -1.3476 | |
| 33 | S | B | -0.6450 | |
| 34 | L | B | 0.0000 | |
| 35 | T | B | -1.2861 | |
| 36 | L | B | 0.0000 | |
| 37 | D | B | -3.2566 | |
| 38 | Q | B | -2.5032 | |
| 39 | S | B | 0.0000 | |
| 40 | V | B | 0.0000 | |
| 41 | R | B | -2.8923 | |
| 42 | K | B | -3.0116 | |
| 43 | N | B | -1.9187 | |
| 44 | E | B | -1.7518 | |
| 45 | K | B | -1.6696 | |
| 46 | L | B | 0.0000 | |
| 47 | K | B | -1.4776 | |
| 48 | L | B | 0.0000 | |
| 49 | A | B | -2.1653 | |
| 50 | A | B | -2.1126 | |
| 51 | Q | B | -1.9792 | |
| 52 | G | B | -1.3961 | |
| 53 | A | B | -1.7426 | |
| 54 | E | B | -2.8674 | |
| 55 | K | B | -1.8735 | |
| 56 | T | B | -1.3338 | |
| 57 | Y | B | 0.0000 | |
| 58 | G | B | -1.9635 | |
| 59 | N | B | -2.7725 | |
| 60 | G | B | -2.3488 | |
| 61 | D | B | -1.7807 | |
| 62 | S | B | -1.1591 | |
| 63 | L | B | 0.0000 | |
| 64 | N | B | 0.0000 | |
| 65 | T | B | 0.0000 | |
| 66 | G | B | 0.0000 | |
| 67 | K | B | -1.5532 | |
| 68 | L | B | 0.0000 | |
| 69 | K | B | -2.8447 | |
| 70 | N | B | -2.3599 | |
| 71 | D | B | -2.2040 | |
| 72 | K | B | -2.7355 | |
| 73 | V | B | -1.5406 | |
| 74 | S | B | 0.0000 | |
| 75 | R | B | -2.3253 | |
| 76 | F | B | 0.0000 | |
| 77 | D | B | -2.5947 | |
| 78 | F | B | 0.0000 | |
| 79 | I | B | -0.3435 | |
| 80 | R | B | -0.2366 | |
| 81 | Q | B | -0.5244 | |
| 82 | I | B | 0.0000 | |
| 83 | E | B | -1.6806 | |
| 84 | V | B | 0.0000 | |
| 85 | D | B | -2.6678 | |
| 86 | G | B | -1.9365 | |
| 87 | Q | B | -1.6125 | |
| 88 | L | B | -0.2044 | |
| 89 | I | B | -0.0127 | |
| 90 | T | B | -0.0543 | |
| 91 | L | B | 0.1186 | |
| 92 | E | B | 0.0000 | |
| 93 | S | B | -0.8298 | |
| 94 | G | B | -1.3631 | |
| 95 | E | B | -1.4844 | |
| 96 | F | B | 0.0000 | |
| 97 | Q | B | 0.0000 | |
| 98 | V | B | 0.0000 | |
| 99 | Y | B | 0.0000 | |
| 100 | K | B | 0.0000 | |
| 101 | Q | B | 0.0000 | |
| 102 | S | B | -1.0762 | |
| 103 | H | B | -1.1617 | |
| 104 | S | B | 0.0000 | |
| 105 | A | B | 0.0000 | |
| 106 | L | B | 0.0000 | |
| 107 | T | B | 0.0000 | |
| 108 | A | B | 0.0000 | |
| 109 | F | B | 0.0000 | |
| 110 | Q | B | 0.0000 | |
| 111 | T | B | 0.0000 | |
| 112 | E | B | -1.7661 | |
| 113 | Q | B | -1.3149 | |
| 114 | I | B | -0.5416 | |
| 115 | Q | B | -0.8600 | |
| 116 | D | B | -1.7344 | |
| 117 | S | B | -1.8699 | |
| 118 | E | B | -3.0742 | |
| 119 | H | B | -2.5533 | |
| 120 | S | B | -1.7119 | |
| 121 | G | B | -1.5214 | |
| 122 | K | B | -2.1415 | |
| 123 | M | B | -0.6150 | |
| 124 | V | B | -0.2066 | |
| 125 | A | B | -0.6066 | |
| 126 | K | B | -1.6299 | |
| 127 | R | B | -2.4155 | |
| 128 | Q | B | -2.0528 | |
| 129 | F | B | 0.0000 | |
| 130 | R | B | -0.6720 | |
| 131 | I | B | 0.0149 | |
| 132 | G | B | -0.4770 | |
| 133 | D | B | 0.0000 | |
| 134 | L | B | 0.1080 | |
| 135 | G | B | -0.6018 | |
| 136 | G | B | -1.2333 | |
| 137 | E | B | -2.1605 | |
| 138 | H | B | -1.4752 | |
| 139 | T | B | 0.0000 | |
| 140 | A | B | -1.5002 | |
| 141 | F | B | -1.1814 | |
| 142 | N | B | -1.7704 | |
| 143 | Q | B | -2.1512 | |
| 144 | L | B | -1.5909 | |
| 145 | P | B | -2.0597 | |
| 146 | D | B | -2.8491 | |
| 147 | G | B | -2.2410 | |
| 148 | K | B | -2.9187 | |
| 149 | A | B | 0.0000 | |
| 150 | E | B | -2.2374 | |
| 151 | Y | B | 0.0000 | |
| 152 | R | B | -2.1580 | |
| 153 | G | B | -1.6106 | |
| 154 | T | B | -1.3742 | |
| 155 | A | B | 0.0000 | |
| 156 | F | B | 0.0000 | |
| 157 | G | B | 0.0000 | |
| 158 | S | B | -1.6226 | |
| 159 | D | B | -2.2314 | |
| 160 | D | B | -1.7745 | |
| 161 | A | B | -1.3487 | |
| 162 | G | B | -1.7407 | |
| 163 | G | B | 0.0000 | |
| 164 | K | B | -1.9499 | |
| 165 | L | B | 0.0000 | |
| 166 | T | B | -1.6603 | |
| 167 | Y | B | 0.0000 | |
| 168 | T | B | -1.6424 | |
| 169 | I | B | 0.0000 | |
| 170 | D | B | -2.8131 | |
| 171 | F | B | 0.0000 | |
| 172 | T | B | -2.2407 | |
| 173 | K | B | -3.2352 | |
| 174 | K | B | -3.4681 | |
| 175 | Q | B | -3.2687 | |
| 176 | G | B | 0.0000 | |
| 177 | N | B | -1.9644 | |
| 178 | G | B | -1.6297 | |
| 179 | K | B | -2.2561 | |
| 180 | I | B | 0.0000 | |
| 181 | E | B | -2.3998 | |
| 182 | H | B | -2.3057 | |
| 183 | L | B | 0.0000 | |
| 184 | K | B | -2.6400 | |
| 185 | S | B | -1.5475 | |
| 186 | P | B | -1.4594 | |
| 187 | E | B | -1.0567 | |
| 188 | L | B | -1.2976 | |
| 189 | N | B | -1.9108 | |
| 190 | V | B | 0.0000 | |
| 191 | E | B | -2.9006 | |
| 192 | L | B | 0.0000 | |
| 193 | A | B | -1.6030 | |
| 194 | S | B | -1.4069 | |
| 195 | A | B | -1.5963 | |
| 196 | E | B | -2.9329 | |
| 197 | I | B | 0.0000 | |
| 198 | K | B | -2.1130 | |
| 199 | A | B | -1.4624 | |
| 200 | D | B | -1.5466 | |
| 201 | G | B | -1.6196 | |
| 202 | K | B | -2.1816 | |
| 203 | S | B | -1.6806 | |
| 204 | H | B | -1.6712 | |
| 205 | A | B | 0.0000 | |
| 206 | V | B | -0.3798 | |
| 207 | I | B | 0.0000 | |
| 208 | L | B | 0.6984 | |
| 209 | G | B | -0.4319 | |
| 210 | D | B | -1.7605 | |
| 211 | V | B | 0.0000 | |
| 212 | R | B | -2.2435 | |
| 213 | Y | B | -0.7997 | |
| 214 | G | B | -0.9464 | |
| 215 | S | B | -0.9480 | |
| 216 | E | B | -1.7977 | |
| 217 | E | B | -2.8555 | |
| 218 | K | B | 0.0000 | |
| 219 | G | B | 0.0000 | |
| 220 | S | B | -1.1512 | |
| 221 | Y | B | 0.0000 | |
| 222 | S | B | 0.3707 | |
| 223 | L | B | 0.0000 | |
| 224 | G | B | 0.0000 | |
| 225 | I | B | 0.0000 | |
| 226 | F | B | 0.0000 | |
| 227 | G | B | 0.0000 | |
| 228 | G | B | -2.0056 | |
| 229 | R | B | -2.5111 | |
| 230 | A | B | 0.0000 | |
| 231 | Q | B | -1.7491 | |
| 232 | E | B | 0.0000 | |
| 233 | V | B | 0.0000 | |
| 234 | A | B | 0.0000 | |
| 235 | G | B | 0.0000 | |
| 236 | S | B | -0.0791 | |
| 237 | A | B | 0.0000 | |
| 238 | E | B | -0.8487 | |
| 239 | V | B | 0.0000 | |
| 240 | K | B | 0.0000 | |
| 241 | T | B | 0.0000 | |
| 242 | V | B | -0.1072 | |
| 243 | N | B | -1.0511 | |
| 244 | G | B | 0.0000 | |
| 245 | I | B | -0.2954 | |
| 246 | R | B | -1.0044 | |
| 247 | H | B | -0.7861 | |
| 248 | I | B | 0.0000 | |
| 249 | G | B | 0.0000 | |
| 250 | L | B | 0.0000 | |
| 251 | A | B | 0.0000 | |
| 252 | A | B | 0.0000 | |
| 253 | K | B | -1.9884 | |
| 254 | Q | B | -2.2446 |
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