| Chain sequence(s) |
A: APDQDEIQRLPGLAKQPSFRQYSGYLKGSGSKHLHYWFVESQKDPENSPVVLWLNGGPGCSSLDGLLTEHGPFLVQPDGVTLEYNPYSWNLIANVLYLESPAGVGFSYSDDKFYATNDTEVAQSNFEALQDFFRLFPEYKNNKLFLTGESYAGIYIPTLAVLVMQDPSMNLQGLAVGNGLSSYEQNDNSLVYFAYYHGLLGNRLWSSLQTHCCSQNKCNFYDNKDLECVTNLQEVARIVGNSGLNIYNLYAPCAGGVPSHFRYEKDTVVVQDLGNIFTCLPLKRMWHQALLRSGDKVR
B: MDPPCTNTTAASTYLNNPYVRKALNIPEQLPQWDMCNFLVNLQYRRLYRSMNSQYLKLLSSQKYQILLYNGDVDMACNFMGDEWFVDSLNQKMEVQRRPWLVKYGDSGEQIAGFVKEFSHIAFLTIKGAGHMVPTDKPLAAFTMFSRFLNKQPY 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 (00:04:52)
[INFO] Main: Simulation completed successfully. (00:04:55)
|
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 | A | A | -1.2281 | |
| 2 | P | A | -1.5692 | |
| 3 | D | A | -2.7949 | |
| 4 | Q | A | -2.5827 | |
| 5 | D | A | 0.0000 | |
| 6 | E | A | -2.9273 | |
| 7 | I | A | 0.0000 | |
| 8 | Q | A | -3.0484 | |
| 9 | R | A | -3.0097 | |
| 10 | L | A | 0.0000 | |
| 11 | P | A | -0.2895 | |
| 12 | G | A | -0.4093 | |
| 13 | L | A | -1.0821 | |
| 14 | A | A | -1.2510 | |
| 15 | K | A | -2.6163 | |
| 16 | Q | A | -2.7505 | |
| 17 | P | A | -1.7785 | |
| 18 | S | A | -1.3162 | |
| 19 | F | A | 0.0000 | |
| 20 | R | A | -2.1078 | |
| 21 | Q | A | 0.0000 | |
| 22 | Y | A | 0.0000 | |
| 23 | S | A | 0.0000 | |
| 24 | G | A | 0.0000 | |
| 25 | Y | A | -0.2246 | |
| 26 | L | A | 0.0000 | |
| 27 | K | A | -1.5469 | |
| 28 | G | A | 0.0000 | |
| 29 | S | A | -1.0609 | |
| 30 | G | A | -1.2957 | |
| 31 | S | A | -1.6309 | |
| 32 | K | A | -1.4643 | |
| 33 | H | A | -0.9406 | |
| 34 | L | A | 0.0000 | |
| 35 | H | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | W | A | 0.0000 | |
| 38 | F | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | E | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | Q | A | -1.5408 | |
| 43 | K | A | -2.9208 | |
| 44 | D | A | -3.5207 | |
| 45 | P | A | -2.8384 | |
| 46 | E | A | -3.6926 | |
| 47 | N | A | -3.1851 | |
| 48 | S | A | 0.0000 | |
| 49 | P | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | V | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | W | A | 0.0000 | |
| 54 | L | A | 0.0000 | |
| 55 | N | A | 0.0000 | |
| 56 | G | A | 0.0000 | |
| 57 | G | A | 0.0000 | |
| 58 | P | A | 0.0000 | |
| 59 | G | A | 0.0000 | |
| 60 | C | A | 0.0000 | |
| 61 | S | A | 0.0000 | |
| 62 | S | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | D | A | -0.1693 | |
| 65 | G | A | 0.0000 | |
| 66 | L | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | T | A | 0.0320 | |
| 69 | E | A | 0.0000 | |
| 70 | H | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | P | A | 0.0000 | |
| 73 | F | A | 0.0000 | |
| 74 | L | A | -0.2020 | |
| 75 | V | A | -0.2410 | |
| 76 | Q | A | -0.8895 | |
| 77 | P | A | -1.0588 | |
| 78 | D | A | -1.4362 | |
| 79 | G | A | 0.0000 | |
| 80 | V | A | 1.0000 | |
| 81 | T | A | -0.1134 | |
| 82 | L | A | 0.0000 | |
| 83 | E | A | -1.7690 | |
| 84 | Y | A | -0.5812 | |
| 85 | N | A | 0.0000 | |
| 86 | P | A | -0.0376 | |
| 87 | Y | A | 0.5328 | |
| 88 | S | A | 0.0000 | |
| 89 | W | A | 0.0000 | |
| 90 | N | A | 0.0000 | |
| 91 | L | A | -0.0971 | |
| 92 | I | A | -0.4090 | |
| 93 | A | A | 0.0000 | |
| 94 | N | A | 0.0000 | |
| 95 | V | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | Y | A | 0.0000 | |
| 98 | L | A | 0.0000 | |
| 99 | E | A | 0.0000 | |
| 100 | S | A | 0.0000 | |
| 101 | P | A | 0.0000 | |
| 102 | A | A | 0.0000 | |
| 103 | G | A | 0.1054 | |
| 104 | V | A | 0.0000 | |
| 105 | G | A | -0.8406 | |
| 106 | F | A | 0.0000 | |
| 107 | S | A | 0.0000 | |
| 108 | Y | A | -0.6421 | |
| 109 | S | A | 0.0000 | |
| 110 | D | A | -2.9608 | |
| 111 | D | A | -2.8780 | |
| 112 | K | A | -2.1235 | |
| 113 | F | A | 0.3244 | |
| 114 | Y | A | 0.4224 | |
| 115 | A | A | 0.0542 | |
| 116 | T | A | 0.0000 | |
| 117 | N | A | -1.0987 | |
| 118 | D | A | 0.0000 | |
| 119 | T | A | -0.7041 | |
| 120 | E | A | -1.5362 | |
| 121 | V | A | 0.0000 | |
| 122 | A | A | 0.0000 | |
| 123 | Q | A | -0.9035 | |
| 124 | S | A | 0.0000 | |
| 125 | N | A | 0.0000 | |
| 126 | F | A | -0.5249 | |
| 127 | E | A | -1.0208 | |
| 128 | A | A | 0.0000 | |
| 129 | L | A | 0.0000 | |
| 130 | Q | A | -1.5200 | |
| 131 | D | A | 0.0000 | |
| 132 | F | A | 0.0000 | |
| 133 | F | A | 0.0000 | |
| 134 | R | A | -2.2229 | |
| 135 | L | A | -1.0530 | |
| 136 | F | A | 0.0000 | |
| 137 | P | A | -1.9222 | |
| 138 | E | A | -2.7133 | |
| 139 | Y | A | 0.0000 | |
| 140 | K | A | -2.7217 | |
| 141 | N | A | -2.8401 | |
| 142 | N | A | -2.4937 | |
| 143 | K | A | -1.8520 | |
| 144 | L | A | 0.0000 | |
| 145 | F | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | T | A | 0.0000 | |
| 148 | G | A | 0.0000 | |
| 149 | E | A | 0.0000 | |
| 150 | S | A | 0.0000 | |
| 151 | Y | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | I | A | 0.0000 | |
| 155 | Y | A | 0.0000 | |
| 156 | I | A | 0.0000 | |
| 157 | P | A | 0.0000 | |
| 158 | T | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | V | A | -0.0017 | |
| 162 | L | A | 0.0231 | |
| 163 | V | A | 0.0000 | |
| 164 | M | A | -0.7232 | |
| 165 | Q | A | -1.1342 | |
| 166 | D | A | -0.9500 | |
| 167 | P | A | -0.8299 | |
| 168 | S | A | -1.1331 | |
| 169 | M | A | 0.0000 | |
| 170 | N | A | -1.5275 | |
| 171 | L | A | 0.0000 | |
| 172 | Q | A | -1.2171 | |
| 173 | G | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | G | A | 0.0000 | |
| 178 | N | A | 0.0000 | |
| 179 | G | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | Y | A | 0.0000 | |
| 184 | E | A | -1.8255 | |
| 185 | Q | A | -0.7724 | |
| 186 | N | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | N | A | 0.0000 | |
| 189 | S | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | V | A | 0.0000 | |
| 192 | Y | A | 0.6744 | |
| 193 | F | A | 0.0000 | |
| 194 | A | A | 0.0000 | |
| 195 | Y | A | 0.5159 | |
| 196 | Y | A | 1.1936 | |
| 197 | H | A | 0.2798 | |
| 198 | G | A | -0.2288 | |
| 199 | L | A | 0.1507 | |
| 200 | L | A | 0.0000 | |
| 201 | G | A | -1.3828 | |
| 202 | N | A | -2.3315 | |
| 203 | R | A | -2.6524 | |
| 204 | L | A | -1.5349 | |
| 205 | W | A | 0.0000 | |
| 206 | S | A | -1.5701 | |
| 207 | S | A | -1.3686 | |
| 208 | L | A | 0.0000 | |
| 209 | Q | A | -1.6930 | |
| 210 | T | A | -0.8669 | |
| 211 | H | A | -1.1936 | |
| 212 | C | A | 0.0000 | |
| 213 | C | A | -1.6339 | |
| 214 | S | A | -1.9410 | |
| 215 | Q | A | -2.4030 | |
| 216 | N | A | -2.8033 | |
| 217 | K | A | -2.8853 | |
| 218 | C | A | -1.6691 | |
| 219 | N | A | -1.5351 | |
| 220 | F | A | 0.0000 | |
| 221 | Y | A | 0.0000 | |
| 222 | D | A | -1.4743 | |
| 223 | N | A | -1.5523 | |
| 224 | K | A | -2.1265 | |
| 225 | D | A | -1.4539 | |
| 226 | L | A | 0.0340 | |
| 227 | E | A | -1.1372 | |
| 228 | C | A | 0.0000 | |
| 229 | V | A | -0.6674 | |
| 230 | T | A | -0.6432 | |
| 231 | N | A | -0.5690 | |
| 232 | L | A | 0.0000 | |
| 233 | Q | A | -0.6469 | |
| 234 | E | A | -0.8224 | |
| 235 | V | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | R | A | -0.5650 | |
| 238 | I | A | -0.1175 | |
| 239 | V | A | 0.0000 | |
| 240 | G | A | -0.4775 | |
| 241 | N | A | -0.3808 | |
| 242 | S | A | 0.3745 | |
| 243 | G | A | 0.7125 | |
| 244 | L | A | 0.8877 | |
| 245 | N | A | 0.0000 | |
| 246 | I | A | 0.0000 | |
| 247 | Y | A | 0.0000 | |
| 248 | N | A | 0.2929 | |
| 249 | L | A | 0.7428 | |
| 250 | Y | A | 1.3424 | |
| 251 | A | A | 0.5710 | |
| 252 | P | A | 0.2934 | |
| 253 | C | A | 0.2737 | |
| 254 | A | A | -0.3570 | |
| 255 | G | A | -0.4909 | |
| 256 | G | A | 0.2778 | |
| 257 | V | A | 1.3805 | |
| 258 | P | A | 0.1697 | |
| 259 | S | A | -0.3651 | |
| 260 | H | A | -0.8827 | |
| 261 | F | A | -0.2733 | |
| 262 | R | A | -1.7728 | |
| 263 | Y | A | -0.8798 | |
| 264 | E | A | -2.2594 | |
| 265 | K | A | -2.9085 | |
| 266 | D | A | -2.7818 | |
| 267 | T | A | -1.9560 | |
| 268 | V | A | -1.3668 | |
| 269 | V | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | Q | A | -1.5127 | |
| 272 | D | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | G | A | -0.4401 | |
| 275 | N | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | F | A | 0.0000 | |
| 278 | T | A | -0.1467 | |
| 279 | C | A | -0.2433 | |
| 280 | L | A | 0.0000 | |
| 281 | P | A | -0.6677 | |
| 282 | L | A | -1.0617 | |
| 283 | K | A | -1.9681 | |
| 284 | R | A | -1.2770 | |
| 285 | M | A | -1.1055 | |
| 286 | W | A | 0.2154 | |
| 287 | H | A | -0.7395 | |
| 288 | Q | A | -0.4389 | |
| 289 | A | A | 0.0776 | |
| 290 | L | A | 1.2817 | |
| 291 | L | A | 0.6316 | |
| 292 | R | A | -1.8495 | |
| 293 | S | A | -1.1300 | |
| 294 | G | A | -1.5054 | |
| 295 | D | A | -3.0198 | |
| 296 | K | A | -2.7879 | |
| 297 | V | A | -0.5966 | |
| 298 | R | A | -2.0426 | |
| 1 | M | B | -0.6285 | |
| 2 | D | B | -2.0618 | |
| 3 | P | B | 0.0000 | |
| 4 | P | B | -0.8614 | |
| 5 | C | B | -0.4059 | |
| 6 | T | B | -1.1372 | |
| 7 | N | B | -1.7579 | |
| 8 | T | B | 0.0000 | |
| 9 | T | B | -1.1799 | |
| 10 | A | B | -0.5192 | |
| 11 | A | B | 0.0000 | |
| 12 | S | B | -0.9729 | |
| 13 | T | B | -0.4911 | |
| 14 | Y | B | 0.0000 | |
| 15 | L | B | 0.0000 | |
| 16 | N | B | -0.9777 | |
| 17 | N | B | -0.3871 | |
| 18 | P | B | -0.6568 | |
| 19 | Y | B | 0.1283 | |
| 20 | V | B | 0.0000 | |
| 21 | R | B | -1.4209 | |
| 22 | K | B | -2.1515 | |
| 23 | A | B | -1.6235 | |
| 24 | L | B | 0.0000 | |
| 25 | N | B | -1.6384 | |
| 26 | I | B | 0.0000 | |
| 27 | P | B | -1.7479 | |
| 28 | E | B | -2.9627 | |
| 29 | Q | B | -2.1993 | |
| 30 | L | B | -1.3545 | |
| 31 | P | B | -1.5620 | |
| 32 | Q | B | -2.1785 | |
| 33 | W | B | 0.0000 | |
| 34 | D | B | -2.2509 | |
| 35 | M | B | 0.0000 | |
| 36 | C | B | 0.0000 | |
| 37 | N | B | -0.2347 | |
| 38 | F | B | 0.5959 | |
| 39 | L | B | 1.2123 | |
| 40 | V | B | 0.0000 | |
| 41 | N | B | 0.0000 | |
| 42 | L | B | 0.5661 | |
| 43 | Q | B | -0.3312 | |
| 44 | Y | B | 0.0000 | |
| 45 | R | B | -1.8493 | |
| 46 | R | B | -0.9857 | |
| 47 | L | B | 0.5181 | |
| 48 | Y | B | -0.2575 | |
| 49 | R | B | -1.7423 | |
| 50 | S | B | -1.1272 | |
| 51 | M | B | 0.0000 | |
| 52 | N | B | -0.8304 | |
| 53 | S | B | -0.4833 | |
| 54 | Q | B | 0.0000 | |
| 55 | Y | B | 0.0000 | |
| 56 | L | B | -0.2258 | |
| 57 | K | B | -0.9094 | |
| 58 | L | B | 0.0000 | |
| 59 | L | B | 0.0000 | |
| 60 | S | B | -1.0379 | |
| 61 | S | B | -1.4018 | |
| 62 | Q | B | -2.3497 | |
| 63 | K | B | -2.5143 | |
| 64 | Y | B | 0.0000 | |
| 65 | Q | B | -1.3432 | |
| 66 | I | B | 0.0000 | |
| 67 | L | B | 0.0000 | |
| 68 | L | B | 0.0000 | |
| 69 | Y | B | 0.0000 | |
| 70 | N | B | 0.0000 | |
| 71 | G | B | 0.0000 | |
| 72 | D | B | -0.4356 | |
| 73 | V | B | 0.0000 | |
| 74 | D | B | 0.0000 | |
| 75 | M | B | 0.0000 | |
| 76 | A | B | 0.0000 | |
| 77 | C | B | 0.0000 | |
| 78 | N | B | 0.0000 | |
| 79 | F | B | 0.3856 | |
| 80 | M | B | 0.3596 | |
| 81 | G | B | 0.0000 | |
| 82 | D | B | 0.0000 | |
| 83 | E | B | -0.1354 | |
| 84 | W | B | 0.0180 | |
| 85 | F | B | 0.0000 | |
| 86 | V | B | 0.0000 | |
| 87 | D | B | -1.3870 | |
| 88 | S | B | -1.0248 | |
| 89 | L | B | 0.0000 | |
| 90 | N | B | -1.9662 | |
| 91 | Q | B | -2.0590 | |
| 92 | K | B | -2.5516 | |
| 93 | M | B | -2.0733 | |
| 94 | E | B | -2.3328 | |
| 95 | V | B | -1.3412 | |
| 96 | Q | B | -1.9164 | |
| 97 | R | B | -1.8007 | |
| 98 | R | B | -0.9033 | |
| 99 | P | B | -0.0160 | |
| 100 | W | B | 0.0000 | |
| 101 | L | B | 0.0071 | |
| 102 | V | B | 0.0000 | |
| 103 | K | B | -2.6070 | |
| 104 | Y | B | -1.7265 | |
| 105 | G | B | -1.9734 | |
| 106 | D | B | -2.5256 | |
| 107 | S | B | -2.0071 | |
| 108 | G | B | -2.3752 | |
| 109 | E | B | -2.7476 | |
| 110 | Q | B | -1.1299 | |
| 111 | I | B | 0.5813 | |
| 112 | A | B | 0.0000 | |
| 113 | G | B | 0.0000 | |
| 114 | F | B | 0.1176 | |
| 115 | V | B | 0.0000 | |
| 116 | K | B | -1.2333 | |
| 117 | E | B | -1.3876 | |
| 118 | F | B | 0.0000 | |
| 119 | S | B | -1.4214 | |
| 120 | H | B | -1.6129 | |
| 121 | I | B | 0.0000 | |
| 122 | A | B | 0.0000 | |
| 123 | F | B | 0.0000 | |
| 124 | L | B | 0.0000 | |
| 125 | T | B | 0.0000 | |
| 126 | I | B | 0.0000 | |
| 127 | K | B | -1.2029 | |
| 128 | G | B | -0.8941 | |
| 129 | A | B | 0.0000 | |
| 130 | G | B | 0.0000 | |
| 131 | H | B | 0.0000 | |
| 132 | M | B | -0.0716 | |
| 133 | V | B | 0.0000 | |
| 134 | P | B | 0.0000 | |
| 135 | T | B | -0.4012 | |
| 136 | D | B | -1.0275 | |
| 137 | K | B | -0.8920 | |
| 138 | P | B | -0.1753 | |
| 139 | L | B | 0.0650 | |
| 140 | A | B | 0.0000 | |
| 141 | A | B | 0.0000 | |
| 142 | F | B | 0.4334 | |
| 143 | T | B | 0.0334 | |
| 144 | M | B | 0.0000 | |
| 145 | F | B | 0.0000 | |
| 146 | S | B | -0.7448 | |
| 147 | R | B | -1.7086 | |
| 148 | F | B | 0.0000 | |
| 149 | L | B | 0.0000 | |
| 150 | N | B | -2.5628 | |
| 151 | K | B | -3.0526 | |
| 152 | Q | B | -2.6189 | |
| 153 | P | B | -1.3367 | |
| 154 | Y | B | -0.5952 |
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