| Chain sequence(s) |
A: DVIREYLMFNELSALSSSPESVRSRFSSIYGTNPDGIALNNETYFNAVKPPITAQYGYYCYKNVGTVQYVNRPTDINPNVILAQDTLTNNTNEPFTTTITITGSFTNTSTVTSSTTTGFKFTSKLSIKKVFEIGGEVSFSTTIGTSETTTETITVSKSVTVTVPAQSRRTIQLTAKIAKESADFSAPITVDGYFGANFPKRVGPGGHYFWFNPARDVLNTTSGTLRGTVTNVSSFDFQTIVQPARSL
B: MDVIREYLMFNELSALSSSPESVRSRFSSIYGTNPDGIALNNETYFNAVKPPITAQYGYYCYKNVGTVQYVNRPTDINPNVILAQDTLTNNTNEPFTTTITITGSFTNTSTVTSSTTTGFKFTSKLSIKKVFEIGGEVSFSTTIGTSETTTETITVSKSVTVTVPAQSRRTIQLTAKIAKESADFSAPITVDGYFGANFPKRVGPGGHYFWFNPARDVLNTTSGTLRGTVTNVSSFDFQTIVQPARSL 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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:42)
[INFO] Main: Simulation completed successfully. (00:02:45)
|
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 | |
| 52 | D | A | -1.1536 | |
| 53 | V | A | 0.4784 | |
| 54 | I | A | 0.0000 | |
| 55 | R | A | -1.5726 | |
| 56 | E | A | -0.7253 | |
| 57 | Y | A | 0.1961 | |
| 58 | L | A | 0.0000 | |
| 59 | M | A | -0.4592 | |
| 60 | F | A | 0.0000 | |
| 61 | N | A | -1.4360 | |
| 62 | E | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | S | A | -0.7880 | |
| 65 | A | A | 0.0000 | |
| 66 | L | A | 0.0000 | |
| 67 | S | A | -0.7101 | |
| 68 | S | A | 0.0000 | |
| 69 | S | A | -1.2477 | |
| 70 | P | A | -1.1701 | |
| 71 | E | A | -2.0610 | |
| 72 | S | A | -1.6411 | |
| 73 | V | A | 0.0000 | |
| 74 | R | A | -1.6343 | |
| 75 | S | A | -1.6594 | |
| 76 | R | A | -1.7406 | |
| 77 | F | A | 0.0000 | |
| 78 | S | A | -1.1100 | |
| 79 | S | A | -0.6162 | |
| 80 | I | A | -0.0060 | |
| 81 | Y | A | -0.3789 | |
| 82 | G | A | -0.6889 | |
| 83 | T | A | -1.3644 | |
| 84 | N | A | -1.8947 | |
| 85 | P | A | 0.0000 | |
| 86 | D | A | -1.1364 | |
| 87 | G | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | N | A | 0.0000 | |
| 92 | N | A | -1.8836 | |
| 93 | E | A | -1.6590 | |
| 94 | T | A | -0.7608 | |
| 95 | Y | A | 0.1160 | |
| 96 | F | A | -0.0203 | |
| 97 | N | A | -1.0787 | |
| 98 | A | A | -0.6770 | |
| 99 | V | A | -0.4448 | |
| 100 | K | A | -2.0988 | |
| 101 | P | A | -1.7100 | |
| 102 | P | A | 0.0000 | |
| 103 | I | A | 0.0000 | |
| 104 | T | A | 0.0000 | |
| 105 | A | A | -0.6279 | |
| 106 | Q | A | -0.7131 | |
| 107 | Y | A | 0.9768 | |
| 108 | G | A | 0.3529 | |
| 109 | Y | A | 0.9120 | |
| 110 | Y | A | 0.8667 | |
| 111 | C | A | 0.0000 | |
| 112 | Y | A | 0.0173 | |
| 113 | K | A | 0.0000 | |
| 114 | N | A | -0.6683 | |
| 115 | V | A | 0.0000 | |
| 116 | G | A | -0.3728 | |
| 117 | T | A | -0.2420 | |
| 118 | V | A | -0.8290 | |
| 119 | Q | A | -0.8198 | |
| 120 | Y | A | -0.3092 | |
| 121 | V | A | 0.4841 | |
| 122 | N | A | -1.3389 | |
| 123 | R | A | -2.4441 | |
| 124 | P | A | -1.7894 | |
| 125 | T | A | -2.2285 | |
| 126 | D | A | -2.6109 | |
| 127 | I | A | -1.5894 | |
| 128 | N | A | -2.1423 | |
| 129 | P | A | -1.6207 | |
| 130 | N | A | -1.3216 | |
| 131 | V | A | 0.1595 | |
| 132 | I | A | 1.2091 | |
| 133 | L | A | 0.5823 | |
| 134 | A | A | -0.4033 | |
| 135 | Q | A | -1.5816 | |
| 136 | D | A | -2.1643 | |
| 137 | T | A | -1.4290 | |
| 138 | L | A | -0.7957 | |
| 139 | T | A | -1.2302 | |
| 140 | N | A | 0.0000 | |
| 141 | N | A | -2.1538 | |
| 142 | T | A | -2.1337 | |
| 143 | N | A | -2.7293 | |
| 144 | E | A | -2.7481 | |
| 145 | P | A | -1.3814 | |
| 146 | F | A | 0.0458 | |
| 147 | T | A | 0.2400 | |
| 148 | T | A | 0.1717 | |
| 149 | T | A | -0.0508 | |
| 150 | I | A | 0.0057 | |
| 151 | T | A | -0.2675 | |
| 152 | I | A | 0.0000 | |
| 153 | T | A | -0.4896 | |
| 154 | G | A | 0.0000 | |
| 155 | S | A | -0.1353 | |
| 156 | F | A | -0.0032 | |
| 157 | T | A | -0.2787 | |
| 158 | N | A | -0.3462 | |
| 159 | T | A | -0.4054 | |
| 160 | S | A | -0.6942 | |
| 161 | T | A | -0.4094 | |
| 162 | V | A | 0.0000 | |
| 163 | T | A | -0.8358 | |
| 164 | S | A | 0.0000 | |
| 165 | S | A | -1.2802 | |
| 166 | T | A | -1.1282 | |
| 167 | T | A | -0.5981 | |
| 168 | T | A | -0.5411 | |
| 169 | G | A | -0.9071 | |
| 170 | F | A | 0.0000 | |
| 171 | K | A | -1.7696 | |
| 172 | F | A | 0.0000 | |
| 173 | T | A | -1.0344 | |
| 174 | S | A | -1.4295 | |
| 175 | K | A | -1.8847 | |
| 176 | L | A | 0.0000 | |
| 177 | S | A | -1.2452 | |
| 178 | I | A | 0.0000 | |
| 179 | K | A | -1.9918 | |
| 180 | K | A | -1.0559 | |
| 181 | V | A | 0.0594 | |
| 182 | F | A | 0.0000 | |
| 183 | E | A | -1.5568 | |
| 184 | I | A | -0.6235 | |
| 185 | G | A | -0.7824 | |
| 186 | G | A | -0.7202 | |
| 187 | E | A | -1.5815 | |
| 188 | V | A | 0.0000 | |
| 189 | S | A | -1.2395 | |
| 190 | F | A | 0.0000 | |
| 191 | S | A | -1.3332 | |
| 192 | T | A | 0.0000 | |
| 193 | T | A | -1.1959 | |
| 194 | I | A | 0.0000 | |
| 195 | G | A | -1.1309 | |
| 196 | T | A | -0.6062 | |
| 197 | S | A | -0.8030 | |
| 198 | E | A | -1.0578 | |
| 199 | T | A | -0.6175 | |
| 200 | T | A | -0.4908 | |
| 201 | T | A | -0.4267 | |
| 202 | E | A | -0.6892 | |
| 203 | T | A | -0.4452 | |
| 204 | I | A | 0.0000 | |
| 205 | T | A | -0.1517 | |
| 206 | V | A | 0.0000 | |
| 207 | S | A | -0.2202 | |
| 208 | K | A | -0.3260 | |
| 209 | S | A | -0.2690 | |
| 210 | V | A | 0.0000 | |
| 211 | T | A | -0.1089 | |
| 212 | V | A | 0.0000 | |
| 213 | T | A | 0.0554 | |
| 214 | V | A | 0.0000 | |
| 215 | P | A | -1.5975 | |
| 216 | A | A | -2.0025 | |
| 217 | Q | A | -2.4035 | |
| 218 | S | A | 0.0000 | |
| 219 | R | A | -2.0532 | |
| 220 | R | A | -1.6234 | |
| 221 | T | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | Q | A | -0.5177 | |
| 224 | L | A | 0.0000 | |
| 225 | T | A | 0.0000 | |
| 226 | A | A | 0.0000 | |
| 227 | K | A | -1.0735 | |
| 228 | I | A | -1.0671 | |
| 229 | A | A | 0.0000 | |
| 230 | K | A | -2.3106 | |
| 231 | E | A | 0.0000 | |
| 232 | S | A | -1.1975 | |
| 233 | A | A | 0.0000 | |
| 234 | D | A | -1.0155 | |
| 235 | F | A | 0.0000 | |
| 236 | S | A | -1.0027 | |
| 237 | A | A | 0.0000 | |
| 238 | P | A | -0.7387 | |
| 239 | I | A | 0.0000 | |
| 240 | T | A | -0.5611 | |
| 241 | V | A | 0.0000 | |
| 242 | D | A | -0.6739 | |
| 243 | G | A | 0.0013 | |
| 244 | Y | A | 0.2975 | |
| 245 | F | A | 0.0000 | |
| 246 | G | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | N | A | 0.0000 | |
| 249 | F | A | 0.0000 | |
| 250 | P | A | -1.6633 | |
| 251 | K | A | -2.7088 | |
| 252 | R | A | -2.7032 | |
| 253 | V | A | 0.0000 | |
| 254 | G | A | -0.7254 | |
| 255 | P | A | -0.9303 | |
| 256 | G | A | -1.1269 | |
| 257 | G | A | -1.5040 | |
| 258 | H | A | -1.2894 | |
| 259 | Y | A | -0.3892 | |
| 260 | F | A | 0.6119 | |
| 261 | W | A | 0.8114 | |
| 262 | F | A | 0.7317 | |
| 263 | N | A | -0.1926 | |
| 264 | P | A | -0.7134 | |
| 265 | A | A | 0.0000 | |
| 266 | R | A | -2.5519 | |
| 267 | D | A | -1.8345 | |
| 268 | V | A | 0.0000 | |
| 269 | L | A | 0.0000 | |
| 270 | N | A | -1.9691 | |
| 271 | T | A | -1.2768 | |
| 272 | T | A | -1.1123 | |
| 273 | S | A | -0.7366 | |
| 274 | G | A | -0.3509 | |
| 275 | T | A | -0.7560 | |
| 276 | L | A | 0.0000 | |
| 277 | R | A | -2.2072 | |
| 278 | G | A | -1.1990 | |
| 279 | T | A | -0.7473 | |
| 280 | V | A | 0.0000 | |
| 281 | T | A | -0.6458 | |
| 282 | N | A | 0.0000 | |
| 283 | V | A | -0.5349 | |
| 284 | S | A | 0.0000 | |
| 285 | S | A | 0.0000 | |
| 286 | F | A | -0.0852 | |
| 287 | D | A | -0.8557 | |
| 288 | F | A | -0.0692 | |
| 289 | Q | A | -0.4150 | |
| 290 | T | A | -0.3021 | |
| 291 | I | A | -0.0521 | |
| 292 | V | A | -0.4988 | |
| 293 | Q | A | -1.0322 | |
| 294 | P | A | -1.1972 | |
| 295 | A | A | -1.6352 | |
| 296 | R | A | -2.3604 | |
| 297 | S | A | -1.0525 | |
| 298 | L | A | 0.1292 | |
| 51 | M | B | 0.5565 | |
| 52 | D | B | -0.8634 | |
| 53 | V | B | -0.1887 | |
| 54 | I | B | 0.0000 | |
| 55 | R | B | -1.5029 | |
| 56 | E | B | -0.6720 | |
| 57 | Y | B | 0.1211 | |
| 58 | L | B | 0.0000 | |
| 59 | M | B | -0.4027 | |
| 60 | F | B | 0.0000 | |
| 61 | N | B | -1.4502 | |
| 62 | E | B | 0.0000 | |
| 63 | L | B | 0.0000 | |
| 64 | S | B | -0.7969 | |
| 65 | A | B | 0.0000 | |
| 66 | L | B | 0.0000 | |
| 67 | S | B | -0.7398 | |
| 68 | S | B | 0.0000 | |
| 69 | S | B | -1.2521 | |
| 70 | P | B | -1.1022 | |
| 71 | E | B | -2.0786 | |
| 72 | S | B | -1.6454 | |
| 73 | V | B | 0.0000 | |
| 74 | R | B | -1.6928 | |
| 75 | S | B | -1.6355 | |
| 76 | R | B | -1.6514 | |
| 77 | F | B | 0.0000 | |
| 78 | S | B | -1.0599 | |
| 79 | S | B | -0.5413 | |
| 80 | I | B | 0.1392 | |
| 81 | Y | B | -0.3074 | |
| 82 | G | B | -0.6482 | |
| 83 | T | B | -1.3246 | |
| 84 | N | B | -1.7014 | |
| 85 | P | B | 0.0000 | |
| 86 | D | B | -1.2312 | |
| 87 | G | B | 0.0000 | |
| 88 | I | B | 0.0000 | |
| 89 | A | B | 0.0000 | |
| 90 | L | B | 0.0000 | |
| 91 | N | B | 0.0000 | |
| 92 | N | B | -1.6313 | |
| 93 | E | B | -1.2583 | |
| 94 | T | B | -0.5713 | |
| 95 | Y | B | 0.1717 | |
| 96 | F | B | -0.0335 | |
| 97 | N | B | -1.0739 | |
| 98 | A | B | -0.6081 | |
| 99 | V | B | -0.4266 | |
| 100 | K | B | -2.0023 | |
| 101 | P | B | -1.5763 | |
| 102 | P | B | 0.0000 | |
| 103 | I | B | 0.0000 | |
| 104 | T | B | 0.0000 | |
| 105 | A | B | -0.6000 | |
| 106 | Q | B | -0.6235 | |
| 107 | Y | B | 1.0019 | |
| 108 | G | B | 0.3945 | |
| 109 | Y | B | 0.8319 | |
| 110 | Y | B | 0.7271 | |
| 111 | C | B | 0.0000 | |
| 112 | Y | B | -0.0608 | |
| 113 | K | B | 0.0000 | |
| 114 | N | B | 0.0000 | |
| 115 | V | B | 0.0000 | |
| 116 | G | B | -0.4189 | |
| 117 | T | B | -0.1060 | |
| 118 | V | B | -0.7112 | |
| 119 | Q | B | -0.8282 | |
| 120 | Y | B | -0.1746 | |
| 121 | V | B | 0.4290 | |
| 122 | N | B | -1.4403 | |
| 123 | R | B | -2.5855 | |
| 124 | P | B | -1.8442 | |
| 125 | T | B | -2.2062 | |
| 126 | D | B | -2.5144 | |
| 127 | I | B | -1.4432 | |
| 128 | N | B | -2.0556 | |
| 129 | P | B | -1.5930 | |
| 130 | N | B | -1.2809 | |
| 131 | V | B | 0.1355 | |
| 132 | I | B | 1.1641 | |
| 133 | L | B | 0.5608 | |
| 134 | A | B | -0.4467 | |
| 135 | Q | B | -1.5799 | |
| 136 | D | B | -2.2243 | |
| 137 | T | B | -1.3610 | |
| 138 | L | B | -0.6005 | |
| 139 | T | B | -1.0982 | |
| 140 | N | B | 0.0000 | |
| 141 | N | B | -2.0875 | |
| 142 | T | B | -2.0434 | |
| 143 | N | B | -2.6730 | |
| 144 | E | B | -2.7256 | |
| 145 | P | B | -1.3698 | |
| 146 | F | B | -0.0134 | |
| 147 | T | B | 0.1945 | |
| 148 | T | B | 0.1663 | |
| 149 | T | B | -0.0262 | |
| 150 | I | B | 0.0712 | |
| 151 | T | B | -0.2580 | |
| 152 | I | B | 0.0000 | |
| 153 | T | B | -0.4964 | |
| 154 | G | B | 0.0000 | |
| 155 | S | B | -0.0993 | |
| 156 | F | B | 0.1041 | |
| 157 | T | B | -0.1839 | |
| 158 | N | B | -0.2337 | |
| 159 | T | B | -0.3093 | |
| 160 | S | B | 0.0000 | |
| 161 | T | B | -0.3850 | |
| 162 | V | B | 0.0000 | |
| 163 | T | B | -0.7973 | |
| 164 | S | B | 0.0000 | |
| 165 | S | B | -1.2423 | |
| 166 | T | B | -1.1437 | |
| 167 | T | B | -0.6292 | |
| 168 | T | B | -0.6181 | |
| 169 | G | B | -1.0627 | |
| 170 | F | B | 0.0000 | |
| 171 | K | B | -2.0418 | |
| 172 | F | B | 0.0000 | |
| 173 | T | B | -1.0222 | |
| 174 | S | B | -1.3460 | |
| 175 | K | B | -1.7544 | |
| 176 | L | B | 0.0000 | |
| 177 | S | B | -0.9961 | |
| 178 | I | B | 0.0000 | |
| 179 | K | B | -1.8566 | |
| 180 | K | B | -1.0308 | |
| 181 | V | B | 0.0717 | |
| 182 | F | B | 0.0000 | |
| 183 | E | B | -1.5927 | |
| 184 | I | B | -0.7364 | |
| 185 | G | B | -0.8174 | |
| 186 | G | B | -0.8985 | |
| 187 | E | B | -1.6619 | |
| 188 | V | B | 0.0000 | |
| 189 | S | B | -1.2095 | |
| 190 | F | B | 0.0000 | |
| 191 | S | B | -1.1842 | |
| 192 | T | B | 0.0000 | |
| 193 | T | B | -1.1412 | |
| 194 | I | B | -1.1604 | |
| 195 | G | B | -1.0526 | |
| 196 | T | B | -0.5549 | |
| 197 | S | B | -0.7838 | |
| 198 | E | B | -1.0512 | |
| 199 | T | B | -0.5807 | |
| 200 | T | B | -0.4347 | |
| 201 | T | B | -0.3388 | |
| 202 | E | B | -0.5441 | |
| 203 | T | B | -0.3421 | |
| 204 | I | B | 0.0000 | |
| 205 | T | B | -0.1467 | |
| 206 | V | B | 0.0000 | |
| 207 | S | B | -0.2298 | |
| 208 | K | B | -0.3605 | |
| 209 | S | B | -0.2920 | |
| 210 | V | B | 0.0000 | |
| 211 | T | B | -0.0748 | |
| 212 | V | B | 0.0000 | |
| 213 | T | B | 0.0829 | |
| 214 | V | B | 0.0000 | |
| 215 | P | B | -1.5565 | |
| 216 | A | B | -2.0229 | |
| 217 | Q | B | -2.2777 | |
| 218 | S | B | 0.0000 | |
| 219 | R | B | -1.7602 | |
| 220 | R | B | -1.4897 | |
| 221 | T | B | -1.2621 | |
| 222 | I | B | 0.0000 | |
| 223 | Q | B | -0.3197 | |
| 224 | L | B | 0.0000 | |
| 225 | T | B | 0.0000 | |
| 226 | A | B | 0.0000 | |
| 227 | K | B | -0.9013 | |
| 228 | I | B | -0.9863 | |
| 229 | A | B | 0.0000 | |
| 230 | K | B | -2.1234 | |
| 231 | E | B | 0.0000 | |
| 232 | S | B | -1.3836 | |
| 233 | A | B | 0.0000 | |
| 234 | D | B | -1.0380 | |
| 235 | F | B | 0.0000 | |
| 236 | S | B | -0.9848 | |
| 237 | A | B | 0.0000 | |
| 238 | P | B | -0.7516 | |
| 239 | I | B | 0.0000 | |
| 240 | T | B | -0.7303 | |
| 241 | V | B | 0.0000 | |
| 242 | D | B | -1.4365 | |
| 243 | G | B | -0.4125 | |
| 244 | Y | B | 0.1236 | |
| 245 | F | B | 0.0000 | |
| 246 | G | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | N | B | 0.0000 | |
| 249 | F | B | 0.0000 | |
| 250 | P | B | -1.5795 | |
| 251 | K | B | -2.4633 | |
| 252 | R | B | -2.5508 | |
| 253 | V | B | 0.0000 | |
| 254 | G | B | -0.7279 | |
| 255 | P | B | -0.9712 | |
| 256 | G | B | -1.0239 | |
| 257 | G | B | -1.4623 | |
| 258 | H | B | -1.1540 | |
| 259 | Y | B | -0.0521 | |
| 260 | F | B | 0.7458 | |
| 261 | W | B | 0.5915 | |
| 262 | F | B | 0.8688 | |
| 263 | N | B | 0.0000 | |
| 264 | P | B | -0.7584 | |
| 265 | A | B | 0.0000 | |
| 266 | R | B | -2.5845 | |
| 267 | D | B | -1.5801 | |
| 268 | V | B | 0.0000 | |
| 269 | L | B | 0.0000 | |
| 270 | N | B | -1.9327 | |
| 271 | T | B | -1.2741 | |
| 272 | T | B | -1.2512 | |
| 273 | S | B | -0.8031 | |
| 274 | G | B | -0.3216 | |
| 275 | T | B | -0.7297 | |
| 276 | L | B | 0.0000 | |
| 277 | R | B | -2.2050 | |
| 278 | G | B | -1.1572 | |
| 279 | T | B | -0.7539 | |
| 280 | V | B | 0.0000 | |
| 281 | T | B | -0.6065 | |
| 282 | N | B | 0.0000 | |
| 283 | V | B | -0.4279 | |
| 284 | S | B | -0.1353 | |
| 285 | S | B | 0.0000 | |
| 286 | F | B | -0.0700 | |
| 287 | D | B | -0.7845 | |
| 288 | F | B | 0.0367 | |
| 289 | Q | B | -0.3552 | |
| 290 | T | B | 0.0526 | |
| 291 | I | B | 0.5506 | |
| 292 | V | B | 0.0150 | |
| 293 | Q | B | -0.4552 | |
| 294 | P | B | -0.8560 | |
| 295 | A | B | -1.4525 | |
| 296 | R | B | -2.2327 | |
| 297 | S | B | -1.1182 | |
| 298 | L | B | 0.2025 |
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