| Chain sequence(s) |
A: ASQTSFSFQRFNETNLILQRDATVSSKGQLRLTNVNDNGEPTLSSLGRAFYSAPIQIWDNTTGAVASFATSFTFNIDVPNNSGPADGLAFVLLPVGSQPKDKGGLLGLFNNYKYDSNAHTVAVEFDTLYKPRHIGIDVNSIKSIKTTTWDFVKGENAEVLITYDSSTKLLVASLVYPSLKTSFIVSDTVDLKSVLPEWVIVGFTATTGITKGNVETNDILSWSFASKLS
B: ASQTSFSFQRFNETNLILQRDATVSSKGQLRLTNVNDNGEPTLSSLGRAFYSAPIQIWDNTTGAVASFATSFTFNIDVPNNSGPADGLAFVLLPVGSQPKDKGGLLGLFNNYKYDSNAHTVAVEFDTLYKPRHIGIDVNSIKSIKTTTWDFVKGENAEVLITYDSSTKLLVASLVYPSLKTSFIVSDTVDLKSVLPEWVIVGFTATTGITKGNVETNDILSWSFASKLSNLANFA 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 (00:04:24)
[INFO] Main: Simulation completed successfully. (00:04:29)
|
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 | |
| 22 | A | A | -0.5302 | |
| 23 | S | A | -1.0557 | |
| 24 | Q | A | -1.8060 | |
| 25 | T | A | -1.1463 | |
| 26 | S | A | -0.9009 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | -0.9296 | |
| 29 | F | A | -1.2379 | |
| 30 | Q | A | -2.1133 | |
| 31 | R | A | -2.9721 | |
| 32 | F | A | 0.0000 | |
| 33 | N | A | -2.8257 | |
| 34 | E | A | -2.2447 | |
| 35 | T | A | -1.3377 | |
| 36 | N | A | -0.9729 | |
| 37 | L | A | 0.0000 | |
| 38 | I | A | 0.2267 | |
| 39 | L | A | -0.3298 | |
| 40 | Q | A | -1.0322 | |
| 41 | R | A | -2.3109 | |
| 42 | D | A | -1.8070 | |
| 43 | A | A | 0.0000 | |
| 44 | T | A | -1.1133 | |
| 45 | V | A | -1.4139 | |
| 46 | S | A | -1.3848 | |
| 47 | S | A | -1.4215 | |
| 48 | K | A | -2.3225 | |
| 49 | G | A | 0.0000 | |
| 50 | Q | A | -1.7388 | |
| 51 | L | A | 0.0000 | |
| 52 | R | A | -0.6350 | |
| 53 | L | A | 0.0000 | |
| 54 | T | A | 0.0000 | |
| 55 | N | A | -1.5256 | |
| 56 | V | A | -1.5968 | |
| 57 | N | A | -2.3320 | |
| 58 | D | A | -3.0544 | |
| 59 | N | A | -2.9244 | |
| 60 | G | A | -2.5714 | |
| 61 | E | A | -2.7204 | |
| 62 | P | A | 0.0000 | |
| 63 | T | A | -0.5499 | |
| 64 | L | A | 0.1353 | |
| 65 | S | A | 0.1632 | |
| 66 | S | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | R | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | Y | A | 0.1221 | |
| 73 | S | A | 0.0621 | |
| 74 | A | A | 0.1753 | |
| 75 | P | A | 0.3912 | |
| 76 | I | A | 0.0000 | |
| 77 | Q | A | -0.1768 | |
| 78 | I | A | 0.0000 | |
| 79 | W | A | -0.7454 | |
| 80 | D | A | -1.1349 | |
| 81 | N | A | -1.7145 | |
| 82 | T | A | -0.8438 | |
| 83 | T | A | -0.6332 | |
| 84 | G | A | -0.9165 | |
| 85 | A | A | -0.5782 | |
| 86 | V | A | -0.8626 | |
| 87 | A | A | 0.0000 | |
| 88 | S | A | -0.8059 | |
| 89 | F | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | T | A | 0.0000 | |
| 92 | S | A | -0.4108 | |
| 93 | F | A | 0.0000 | |
| 94 | T | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | N | A | -0.9499 | |
| 97 | I | A | 0.0000 | |
| 98 | D | A | -1.6271 | |
| 99 | V | A | 0.0000 | |
| 100 | P | A | -1.8022 | |
| 101 | N | A | -2.1596 | |
| 102 | N | A | -2.2346 | |
| 103 | S | A | -1.7033 | |
| 104 | G | A | -0.9975 | |
| 105 | P | A | 0.0000 | |
| 106 | A | A | 0.0000 | |
| 107 | D | A | 0.0000 | |
| 108 | G | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | F | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | L | A | 0.0000 | |
| 115 | P | A | 0.3457 | |
| 116 | V | A | 1.0030 | |
| 117 | G | A | -0.0945 | |
| 118 | S | A | -0.5845 | |
| 119 | Q | A | -1.6011 | |
| 120 | P | A | -1.8623 | |
| 121 | K | A | -2.0529 | |
| 122 | D | A | -2.1117 | |
| 123 | K | A | -1.6006 | |
| 124 | G | A | 0.0000 | |
| 125 | G | A | -0.0563 | |
| 126 | L | A | -1.0018 | |
| 127 | L | A | 0.0000 | |
| 128 | G | A | 0.0000 | |
| 129 | L | A | 0.0000 | |
| 130 | F | A | 0.0000 | |
| 131 | N | A | -2.0469 | |
| 132 | N | A | -1.1568 | |
| 133 | Y | A | -0.2235 | |
| 134 | K | A | -1.2832 | |
| 135 | Y | A | 0.0135 | |
| 136 | D | A | -1.0089 | |
| 137 | S | A | -1.0649 | |
| 138 | N | A | -1.4971 | |
| 139 | A | A | -0.9943 | |
| 140 | H | A | -1.0311 | |
| 141 | T | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | E | A | 0.0000 | |
| 146 | F | A | 0.0000 | |
| 147 | D | A | 0.1006 | |
| 148 | T | A | 0.0000 | |
| 149 | L | A | 0.8351 | |
| 150 | Y | A | 1.0280 | |
| 157 | K | A | -1.3912 | |
| 158 | P | A | -0.7912 | |
| 159 | R | A | -0.6140 | |
| 160 | H | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | G | A | 0.0000 | |
| 163 | I | A | 0.0000 | |
| 164 | D | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | N | A | 0.0000 | |
| 167 | S | A | 0.0000 | |
| 168 | I | A | 0.0000 | |
| 169 | K | A | -1.3325 | |
| 170 | S | A | -0.4476 | |
| 171 | I | A | 0.5090 | |
| 172 | K | A | -0.4780 | |
| 173 | T | A | -0.6059 | |
| 174 | T | A | -0.4151 | |
| 175 | T | A | -0.8529 | |
| 176 | W | A | 0.0000 | |
| 177 | D | A | -1.7036 | |
| 178 | F | A | -0.5462 | |
| 179 | V | A | -0.3657 | |
| 180 | K | A | -1.4097 | |
| 181 | G | A | -1.1461 | |
| 182 | E | A | -1.0689 | |
| 183 | N | A | -1.1021 | |
| 184 | A | A | 0.0000 | |
| 185 | E | A | -0.6549 | |
| 186 | V | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | T | A | -0.0951 | |
| 190 | Y | A | 0.0000 | |
| 191 | D | A | -0.7615 | |
| 192 | S | A | -1.0079 | |
| 193 | S | A | -0.6911 | |
| 194 | T | A | -0.8785 | |
| 195 | K | A | -1.4726 | |
| 196 | L | A | 0.0000 | |
| 197 | L | A | 0.0000 | |
| 198 | V | A | 0.0000 | |
| 199 | A | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | Y | A | 0.0000 | |
| 204 | P | A | -0.6824 | |
| 205 | S | A | -0.4326 | |
| 206 | L | A | 0.0969 | |
| 207 | K | A | -0.5876 | |
| 208 | T | A | -0.3509 | |
| 209 | S | A | -0.2868 | |
| 210 | F | A | -0.0697 | |
| 211 | I | A | 0.0000 | |
| 212 | V | A | 0.0000 | |
| 213 | S | A | 0.0000 | |
| 214 | D | A | -0.3935 | |
| 215 | T | A | -0.7151 | |
| 216 | V | A | 0.0000 | |
| 217 | D | A | -1.8348 | |
| 218 | L | A | 0.0000 | |
| 219 | K | A | -1.8564 | |
| 220 | S | A | -1.1666 | |
| 221 | V | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | P | A | -0.4508 | |
| 224 | E | A | -0.4628 | |
| 225 | W | A | 0.7776 | |
| 226 | V | A | 0.0000 | |
| 227 | I | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | G | A | 0.0000 | |
| 230 | F | A | 0.0000 | |
| 231 | T | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | T | A | 0.0000 | |
| 234 | T | A | 0.0000 | |
| 235 | G | A | 0.0000 | |
| 236 | I | A | 1.3044 | |
| 237 | T | A | -0.0592 | |
| 238 | K | A | -1.6208 | |
| 239 | G | A | -1.4903 | |
| 240 | N | A | -0.6930 | |
| 241 | V | A | 0.0000 | |
| 242 | E | A | 0.0000 | |
| 243 | T | A | 0.0000 | |
| 244 | N | A | 0.0000 | |
| 245 | D | A | 0.0000 | |
| 246 | I | A | 0.0000 | |
| 247 | L | A | -0.8965 | |
| 248 | S | A | -0.9635 | |
| 249 | W | A | 0.0000 | |
| 250 | S | A | -0.6575 | |
| 251 | F | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | S | A | 0.0000 | |
| 254 | K | A | -1.8697 | |
| 255 | L | A | 0.0000 | |
| 256 | S | A | -0.6630 | |
| 22 | A | B | -0.6245 | |
| 23 | S | B | -1.2588 | |
| 24 | Q | B | -2.0392 | |
| 25 | T | B | -1.1598 | |
| 26 | S | B | -0.7297 | |
| 27 | F | B | 0.0000 | |
| 28 | S | B | -0.5951 | |
| 29 | F | B | -1.1303 | |
| 30 | Q | B | -2.1227 | |
| 31 | R | B | -2.9616 | |
| 32 | F | B | 0.0000 | |
| 33 | N | B | -2.8273 | |
| 34 | E | B | -2.2358 | |
| 35 | T | B | -1.3503 | |
| 36 | N | B | -1.0093 | |
| 37 | L | B | 0.0000 | |
| 38 | I | B | 0.3893 | |
| 39 | L | B | -0.2413 | |
| 40 | Q | B | -1.1062 | |
| 41 | R | B | -2.4580 | |
| 42 | D | B | -1.9249 | |
| 43 | A | B | 0.0000 | |
| 44 | T | B | -1.0820 | |
| 45 | V | B | -1.2951 | |
| 46 | S | B | -1.4068 | |
| 47 | S | B | -1.4255 | |
| 48 | K | B | -2.3210 | |
| 49 | G | B | -2.4179 | |
| 50 | Q | B | -1.6613 | |
| 51 | L | B | 0.0000 | |
| 52 | R | B | -0.5616 | |
| 53 | L | B | 0.0000 | |
| 54 | T | B | 0.0000 | |
| 55 | N | B | -1.4846 | |
| 56 | V | B | -1.4809 | |
| 57 | N | B | -2.2132 | |
| 58 | D | B | -2.9760 | |
| 59 | N | B | -2.7816 | |
| 60 | G | B | -2.3690 | |
| 61 | E | B | -2.2747 | |
| 62 | P | B | 0.0000 | |
| 63 | T | B | -0.4193 | |
| 64 | L | B | 0.2522 | |
| 65 | S | B | 0.1918 | |
| 66 | S | B | 0.0000 | |
| 67 | L | B | 0.0000 | |
| 68 | G | B | 0.0000 | |
| 69 | R | B | 0.0000 | |
| 70 | A | B | 0.0000 | |
| 71 | F | B | 0.0000 | |
| 72 | Y | B | 0.0760 | |
| 73 | S | B | 0.0455 | |
| 74 | A | B | 0.1088 | |
| 75 | P | B | 0.3367 | |
| 76 | I | B | 0.0000 | |
| 77 | Q | B | -0.3327 | |
| 78 | I | B | 0.0000 | |
| 79 | W | B | -0.7183 | |
| 80 | D | B | -1.0212 | |
| 81 | N | B | -1.6499 | |
| 82 | T | B | -0.8363 | |
| 83 | T | B | -0.6611 | |
| 84 | G | B | -0.8949 | |
| 85 | A | B | -0.5718 | |
| 86 | V | B | -0.9415 | |
| 87 | A | B | 0.0000 | |
| 88 | S | B | -1.1828 | |
| 89 | F | B | 0.0000 | |
| 90 | A | B | 0.0000 | |
| 91 | T | B | 0.0000 | |
| 92 | S | B | -0.0579 | |
| 93 | F | B | 0.0000 | |
| 94 | T | B | 0.0000 | |
| 95 | F | B | 0.0000 | |
| 96 | N | B | -0.9388 | |
| 97 | I | B | 0.0000 | |
| 98 | D | B | -1.6389 | |
| 99 | V | B | 0.0000 | |
| 100 | P | B | -1.7442 | |
| 101 | N | B | -2.1526 | |
| 102 | N | B | -2.0436 | |
| 103 | S | B | -1.6621 | |
| 104 | G | B | -0.9534 | |
| 105 | P | B | 0.0000 | |
| 106 | A | B | 0.0000 | |
| 107 | D | B | 0.0000 | |
| 108 | G | B | 0.0000 | |
| 109 | L | B | 0.0000 | |
| 110 | A | B | 0.0000 | |
| 111 | F | B | 0.0000 | |
| 112 | V | B | 0.0000 | |
| 113 | L | B | 0.0000 | |
| 114 | L | B | 0.0000 | |
| 115 | P | B | 0.3005 | |
| 116 | V | B | 0.9572 | |
| 117 | G | B | -0.1027 | |
| 118 | S | B | -0.6559 | |
| 119 | Q | B | -1.7315 | |
| 120 | P | B | -2.0838 | |
| 121 | K | B | -2.6728 | |
| 122 | D | B | -2.7173 | |
| 123 | K | B | -1.8392 | |
| 124 | G | B | 0.0000 | |
| 125 | G | B | -0.2468 | |
| 126 | L | B | 0.0000 | |
| 127 | L | B | 0.0000 | |
| 128 | G | B | 0.0000 | |
| 129 | L | B | 0.0000 | |
| 130 | F | B | 0.0000 | |
| 131 | N | B | -2.8623 | |
| 132 | N | B | -2.4094 | |
| 133 | Y | B | -1.0827 | |
| 134 | K | B | -1.8425 | |
| 135 | Y | B | -0.4333 | |
| 136 | D | B | -1.6352 | |
| 137 | S | B | -1.3068 | |
| 138 | N | B | -1.6539 | |
| 139 | A | B | -1.1364 | |
| 140 | H | B | -1.0942 | |
| 141 | T | B | 0.0000 | |
| 142 | V | B | 0.0000 | |
| 143 | A | B | 0.0000 | |
| 144 | V | B | 0.0000 | |
| 145 | E | B | 0.0000 | |
| 146 | F | B | 0.0000 | |
| 147 | D | B | 0.0694 | |
| 148 | T | B | 0.0000 | |
| 149 | L | B | 0.9611 | |
| 150 | Y | B | 1.0267 | |
| 157 | K | B | -1.3717 | |
| 158 | P | B | -0.8608 | |
| 159 | R | B | -0.7049 | |
| 160 | H | B | 0.0000 | |
| 161 | I | B | 0.0000 | |
| 162 | G | B | 0.0000 | |
| 163 | I | B | 0.0000 | |
| 164 | D | B | 0.0000 | |
| 165 | V | B | 0.0000 | |
| 166 | N | B | 0.0000 | |
| 167 | S | B | 0.0000 | |
| 168 | I | B | 0.0000 | |
| 169 | K | B | -1.5026 | |
| 170 | S | B | -0.2625 | |
| 171 | I | B | 0.5489 | |
| 172 | K | B | -0.4276 | |
| 173 | T | B | -0.4141 | |
| 174 | T | B | -0.4110 | |
| 175 | T | B | -0.8305 | |
| 176 | W | B | 0.0000 | |
| 177 | D | B | -1.7038 | |
| 178 | F | B | -0.7606 | |
| 179 | V | B | -0.3240 | |
| 180 | K | B | -1.4528 | |
| 181 | G | B | -1.2014 | |
| 182 | E | B | -1.0086 | |
| 183 | N | B | -0.9978 | |
| 184 | A | B | 0.0000 | |
| 185 | E | B | -0.5686 | |
| 186 | V | B | 0.0000 | |
| 187 | L | B | 0.1405 | |
| 188 | I | B | 0.0000 | |
| 189 | T | B | 0.0000 | |
| 190 | Y | B | 0.0000 | |
| 191 | D | B | -0.9268 | |
| 192 | S | B | -1.0771 | |
| 193 | S | B | -0.5820 | |
| 194 | T | B | -0.8969 | |
| 195 | K | B | -1.4275 | |
| 196 | L | B | 0.0000 | |
| 197 | L | B | 0.0000 | |
| 198 | V | B | -0.0679 | |
| 199 | A | B | 0.0000 | |
| 200 | S | B | 0.0000 | |
| 201 | L | B | 0.0000 | |
| 202 | V | B | 0.0000 | |
| 203 | Y | B | 0.0000 | |
| 204 | P | B | -0.6481 | |
| 205 | S | B | -0.3659 | |
| 206 | L | B | 0.2610 | |
| 207 | K | B | -0.5804 | |
| 208 | T | B | -0.3835 | |
| 209 | S | B | -0.2811 | |
| 210 | F | B | -0.0675 | |
| 211 | I | B | 0.0000 | |
| 212 | V | B | 0.0000 | |
| 213 | S | B | 0.0000 | |
| 214 | D | B | -0.4862 | |
| 215 | T | B | -0.7134 | |
| 216 | V | B | 0.0000 | |
| 217 | D | B | -1.7317 | |
| 218 | L | B | 0.0000 | |
| 219 | K | B | -1.6163 | |
| 220 | S | B | -1.1010 | |
| 221 | V | B | 0.0000 | |
| 222 | L | B | 0.0000 | |
| 223 | P | B | -0.2863 | |
| 224 | E | B | -0.3749 | |
| 225 | W | B | 0.7347 | |
| 226 | V | B | 0.0000 | |
| 227 | I | B | 0.0000 | |
| 228 | V | B | 0.0000 | |
| 229 | G | B | 0.0000 | |
| 230 | F | B | 0.0000 | |
| 231 | T | B | 0.0000 | |
| 232 | A | B | 0.0000 | |
| 233 | T | B | 0.0000 | |
| 234 | T | B | 0.0000 | |
| 235 | G | B | 0.0000 | |
| 236 | I | B | 1.1856 | |
| 237 | T | B | -0.1028 | |
| 238 | K | B | -1.4997 | |
| 239 | G | B | -1.4515 | |
| 240 | N | B | -0.4941 | |
| 241 | V | B | 0.0000 | |
| 242 | E | B | 0.0000 | |
| 243 | T | B | 0.0000 | |
| 244 | N | B | 0.0000 | |
| 245 | D | B | 0.0000 | |
| 246 | I | B | 0.0000 | |
| 247 | L | B | -0.8913 | |
| 248 | S | B | -0.9808 | |
| 249 | W | B | 0.0000 | |
| 250 | S | B | -0.1973 | |
| 251 | F | B | 0.0000 | |
| 252 | A | B | -0.9095 | |
| 253 | S | B | 0.0000 | |
| 254 | K | B | -2.4675 | |
| 255 | L | B | 0.0000 | |
| 256 | S | B | -0.7980 | |
| 265 | N | B | -1.6276 | |
| 266 | L | B | -0.5474 | |
| 267 | A | B | 0.0000 | |
| 268 | N | B | -1.3762 | |
| 269 | F | B | -0.4810 | |
| 270 | A | B | -0.2883 |
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