| Chain sequence(s) |
A: GREEEILERARELRERAEEAIRFLDENADEPWAAGPLGQMLRDIAEAIIRIAEAVELLLEPPTEERVERALELIAEAWALALAAILELLLVKKVEVKRKQNGDDSPPTQEEIEAAREEAEKMREEFEKLLEEVKKEGPLTEVEHVLKLLEKFLKYLDKIIELAEELASIDPDNELAKNILEAAKKLKELFEKLIEELKKSPEWLLVLAETVLEAAETLYDLIVKPALEAYKA
B: GREEEILERARELRERAEEAIRFLDENADEPWAAGPLGQMLRDIAEAIIRIAEAVELLLEPPTEERVERALELIAEAWALALAAILELLLVKKVEVKRPPTQEEIEAAREEAEKMREEFEKLLEEVKKEGPLTEVEHVLKLLEKFLKYLDKIIELAEELASIDPDNELAKNILEAAKKLKELFEKLIEELKKSPEWLLVLAETVLEAAETLYDLIVKPALEAYKA input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 5 Å |
| FoldX usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:05)
|
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 | G | A | -0.6395 | |
| 2 | R | A | -1.3152 | |
| 3 | E | A | -2.1107 | |
| 4 | E | A | -2.4487 | |
| 5 | E | A | -2.1553 | |
| 6 | I | A | 0.0000 | |
| 7 | L | A | 0.1108 | |
| 8 | E | A | -1.8270 | |
| 9 | R | A | -0.8141 | |
| 10 | A | A | 0.0000 | |
| 11 | R | A | -2.1941 | |
| 12 | E | A | -2.1205 | |
| 13 | L | A | 0.0000 | |
| 14 | R | A | -0.7488 | |
| 15 | E | A | -1.9721 | |
| 16 | R | A | -0.9357 | |
| 17 | A | A | 0.0000 | |
| 18 | E | A | -0.5191 | |
| 19 | E | A | -1.8538 | |
| 20 | A | A | 0.0000 | |
| 21 | I | A | 0.0000 | |
| 22 | R | A | -0.5278 | |
| 23 | F | A | 0.1125 | |
| 24 | L | A | 0.0000 | |
| 25 | D | A | 0.0000 | |
| 26 | E | A | -1.8596 | |
| 27 | N | A | -0.5487 | |
| 28 | A | A | -0.3608 | |
| 29 | D | A | -1.9257 | |
| 30 | E | A | -1.1249 | |
| 31 | P | A | -0.3603 | |
| 32 | W | A | 0.1260 | |
| 33 | A | A | 0.0406 | |
| 34 | A | A | -0.0019 | |
| 35 | G | A | -0.1246 | |
| 36 | P | A | -0.0362 | |
| 37 | L | A | 0.1805 | |
| 38 | G | A | 0.0000 | |
| 39 | Q | A | -0.1716 | |
| 40 | M | A | 0.0000 | |
| 41 | L | A | 0.0000 | |
| 42 | R | A | 0.0000 | |
| 43 | D | A | -0.2383 | |
| 44 | I | A | 0.0000 | |
| 45 | A | A | 0.0000 | |
| 46 | E | A | 0.0000 | |
| 47 | A | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | R | A | -0.4517 | |
| 51 | I | A | 0.0000 | |
| 52 | A | A | 0.0000 | |
| 53 | E | A | -0.2938 | |
| 54 | A | A | 0.0000 | |
| 55 | V | A | 0.0000 | |
| 56 | E | A | -0.2287 | |
| 57 | L | A | 0.1995 | |
| 58 | L | A | 0.0000 | |
| 59 | L | A | 0.0411 | |
| 60 | E | A | -1.1219 | |
| 61 | P | A | -0.5059 | |
| 62 | P | A | -0.3089 | |
| 63 | T | A | -0.4225 | |
| 64 | E | A | -2.1388 | |
| 65 | E | A | -2.2121 | |
| 66 | R | A | -1.2758 | |
| 67 | V | A | 0.0000 | |
| 68 | E | A | 0.0000 | |
| 69 | R | A | -0.3945 | |
| 70 | A | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | E | A | 0.0000 | |
| 73 | L | A | 0.3580 | |
| 74 | I | A | 0.0000 | |
| 75 | A | A | 0.0000 | |
| 76 | E | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | W | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | L | A | 0.0000 | |
| 81 | A | A | 0.0000 | |
| 82 | L | A | 0.0000 | |
| 83 | A | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | E | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | L | A | 0.1809 | |
| 91 | V | A | 0.0000 | |
| 92 | K | A | -0.2969 | |
| 93 | K | A | -0.3648 | |
| 94 | V | A | 0.2666 | |
| 95 | E | A | -0.1930 | |
| 96 | V | A | -0.0643 | |
| 97 | K | A | -1.0364 | |
| 98 | R | A | -0.6550 | |
| 99 | K | A | -0.9894 | |
| 100 | Q | A | -1.5620 | |
| 101 | N | A | -1.5478 | |
| 102 | G | A | -0.8346 | |
| 103 | D | A | -2.1503 | |
| 104 | D | A | -2.1231 | |
| 105 | S | A | -0.4057 | |
| 106 | P | A | -0.2451 | |
| 107 | P | A | 0.0000 | |
| 108 | T | A | -0.0599 | |
| 109 | Q | A | -0.2750 | |
| 110 | E | A | -1.0481 | |
| 111 | E | A | -0.6823 | |
| 112 | I | A | 0.1030 | |
| 113 | E | A | 0.0000 | |
| 114 | A | A | 0.0467 | |
| 115 | A | A | 0.0000 | |
| 116 | R | A | -0.2808 | |
| 117 | E | A | -0.5962 | |
| 118 | E | A | -0.9158 | |
| 119 | A | A | 0.0000 | |
| 120 | E | A | 0.0000 | |
| 121 | K | A | -1.7000 | |
| 122 | M | A | 0.0000 | |
| 123 | R | A | -0.2628 | |
| 124 | E | A | -0.5265 | |
| 125 | E | A | -0.9333 | |
| 126 | F | A | 0.0000 | |
| 127 | E | A | 0.0000 | |
| 128 | K | A | -1.5414 | |
| 129 | L | A | -0.0799 | |
| 130 | L | A | 0.0000 | |
| 131 | E | A | -0.8412 | |
| 132 | E | A | -1.9129 | |
| 133 | V | A | 0.0000 | |
| 134 | K | A | -0.9635 | |
| 135 | K | A | -2.1527 | |
| 136 | E | A | -2.1421 | |
| 137 | G | A | -0.4142 | |
| 138 | P | A | -0.1128 | |
| 139 | L | A | 0.0000 | |
| 140 | T | A | -0.1960 | |
| 141 | E | A | -0.9189 | |
| 142 | V | A | -0.1128 | |
| 143 | E | A | -1.6911 | |
| 144 | H | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | L | A | 0.0448 | |
| 147 | K | A | -0.6152 | |
| 148 | L | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | E | A | -1.3745 | |
| 151 | K | A | -0.7131 | |
| 152 | F | A | 0.0000 | |
| 153 | L | A | -0.2794 | |
| 154 | K | A | -1.6981 | |
| 155 | Y | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | D | A | -0.7189 | |
| 158 | K | A | -0.7954 | |
| 159 | I | A | 0.0000 | |
| 160 | I | A | -0.0948 | |
| 161 | E | A | -1.7464 | |
| 162 | L | A | -0.1797 | |
| 163 | A | A | 0.0000 | |
| 164 | E | A | -1.3085 | |
| 165 | E | A | -0.9650 | |
| 166 | L | A | 0.0000 | |
| 167 | A | A | -0.0561 | |
| 168 | S | A | -0.2021 | |
| 169 | I | A | 0.3352 | |
| 170 | D | A | -0.3898 | |
| 171 | P | A | -0.6588 | |
| 172 | D | A | -1.8607 | |
| 173 | N | A | -0.7977 | |
| 174 | E | A | -1.8092 | |
| 175 | L | A | -0.1392 | |
| 176 | A | A | 0.0000 | |
| 177 | K | A | -0.9069 | |
| 178 | N | A | -0.4634 | |
| 179 | I | A | 0.0000 | |
| 180 | L | A | -0.1179 | |
| 181 | E | A | -1.5410 | |
| 182 | A | A | 0.0000 | |
| 183 | A | A | 0.0000 | |
| 184 | K | A | -1.2358 | |
| 185 | K | A | -0.7695 | |
| 186 | L | A | 0.0000 | |
| 187 | K | A | -0.7958 | |
| 188 | E | A | -1.9046 | |
| 189 | L | A | 0.0000 | |
| 190 | F | A | 0.0000 | |
| 191 | E | A | -1.4575 | |
| 192 | K | A | -1.9107 | |
| 193 | L | A | 0.0000 | |
| 194 | I | A | -0.0831 | |
| 195 | E | A | -1.8551 | |
| 196 | E | A | -0.7774 | |
| 197 | L | A | 0.0000 | |
| 198 | K | A | -2.0109 | |
| 199 | K | A | -2.0166 | |
| 200 | S | A | -0.3876 | |
| 201 | P | A | -0.5717 | |
| 202 | E | A | -1.7313 | |
| 203 | W | A | -0.1180 | |
| 204 | L | A | 0.3126 | |
| 205 | L | A | 0.2331 | |
| 206 | V | A | 0.2279 | |
| 207 | L | A | 0.0000 | |
| 208 | A | A | 0.0000 | |
| 209 | E | A | -0.4710 | |
| 210 | T | A | -0.0948 | |
| 211 | V | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | E | A | -0.7800 | |
| 214 | A | A | 0.0000 | |
| 215 | A | A | 0.0000 | |
| 216 | E | A | -0.3616 | |
| 217 | T | A | -0.0591 | |
| 218 | L | A | 0.0000 | |
| 219 | Y | A | 0.0000 | |
| 220 | D | A | -1.3108 | |
| 221 | L | A | 0.2203 | |
| 222 | I | A | 0.0000 | |
| 223 | V | A | 0.0000 | |
| 224 | K | A | -0.6202 | |
| 225 | P | A | -0.1701 | |
| 226 | A | A | -0.0043 | |
| 227 | L | A | 0.0000 | |
| 228 | E | A | -1.2077 | |
| 229 | A | A | -0.0824 | |
| 230 | Y | A | 0.1600 | |
| 231 | K | A | -1.6055 | |
| 232 | A | A | -0.2542 | |
| 1 | G | B | -0.8208 | |
| 2 | R | B | -1.2610 | |
| 3 | E | B | -2.3114 | |
| 4 | E | B | -2.5451 | |
| 5 | E | B | -2.3382 | |
| 6 | I | B | 0.0000 | |
| 7 | L | B | -0.0487 | |
| 8 | E | B | -1.9873 | |
| 9 | R | B | -0.8393 | |
| 10 | A | B | 0.0000 | |
| 11 | R | B | -2.2019 | |
| 12 | E | B | -2.1575 | |
| 13 | L | B | 0.0000 | |
| 14 | R | B | -0.6086 | |
| 15 | E | B | -1.1311 | |
| 16 | R | B | -0.7524 | |
| 17 | A | B | 0.0000 | |
| 18 | E | B | 0.0000 | |
| 19 | E | B | -1.3383 | |
| 20 | A | B | 0.0000 | |
| 21 | I | B | 0.0000 | |
| 22 | R | B | -0.3920 | |
| 23 | F | B | 0.2033 | |
| 24 | L | B | 0.0000 | |
| 25 | D | B | 0.0000 | |
| 26 | E | B | -1.8685 | |
| 27 | N | B | -0.5973 | |
| 28 | A | B | -0.3713 | |
| 29 | D | B | -1.9947 | |
| 30 | E | B | -1.5012 | |
| 31 | P | B | -0.4278 | |
| 32 | W | B | 0.1113 | |
| 33 | A | B | 0.0000 | |
| 34 | A | B | -0.0212 | |
| 35 | G | B | -0.1193 | |
| 36 | P | B | -0.0187 | |
| 37 | L | B | 0.2192 | |
| 38 | G | B | 0.0000 | |
| 39 | Q | B | -0.2038 | |
| 40 | M | B | 0.0000 | |
| 41 | L | B | 0.0000 | |
| 42 | R | B | 0.0000 | |
| 43 | D | B | -0.2346 | |
| 44 | I | B | 0.0000 | |
| 45 | A | B | 0.0000 | |
| 46 | E | B | 0.0000 | |
| 47 | A | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | R | B | -0.3823 | |
| 51 | I | B | 0.0000 | |
| 52 | A | B | 0.0000 | |
| 53 | E | B | -0.2634 | |
| 54 | A | B | 0.0000 | |
| 55 | V | B | 0.0000 | |
| 56 | E | B | -0.1970 | |
| 57 | L | B | 0.2244 | |
| 58 | L | B | 0.2430 | |
| 59 | L | B | 0.1432 | |
| 60 | E | B | -0.8092 | |
| 61 | P | B | -0.4493 | |
| 62 | P | B | -0.3102 | |
| 63 | T | B | -0.4287 | |
| 64 | E | B | -2.1349 | |
| 65 | E | B | -2.1373 | |
| 66 | R | B | -0.8569 | |
| 67 | V | B | 0.0433 | |
| 68 | E | B | -0.4189 | |
| 69 | R | B | -0.3751 | |
| 70 | A | B | 0.0000 | |
| 71 | L | B | 0.0000 | |
| 72 | E | B | 0.0000 | |
| 73 | L | B | 0.3398 | |
| 74 | I | B | 0.0000 | |
| 75 | A | B | 0.0000 | |
| 76 | E | B | 0.0000 | |
| 77 | A | B | 0.0000 | |
| 78 | W | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | L | B | 0.0000 | |
| 81 | A | B | 0.0000 | |
| 82 | L | B | 0.0000 | |
| 83 | A | B | 0.0000 | |
| 84 | A | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | L | B | 0.0000 | |
| 87 | E | B | 0.0000 | |
| 88 | L | B | 0.0000 | |
| 89 | L | B | 0.0000 | |
| 90 | L | B | 0.1347 | |
| 91 | V | B | 0.0000 | |
| 92 | K | B | -0.2619 | |
| 93 | K | B | -0.2833 | |
| 94 | V | B | 0.2641 | |
| 95 | E | B | -0.4317 | |
| 96 | V | B | -0.0201 | |
| 97 | K | B | -1.9652 | |
| 98 | R | B | -2.1553 | |
| 106 | P | B | -0.2608 | |
| 107 | P | B | -0.0841 | |
| 108 | T | B | -0.0593 | |
| 109 | Q | B | -0.2780 | |
| 110 | E | B | -1.0030 | |
| 111 | E | B | -0.5930 | |
| 112 | I | B | 0.1446 | |
| 113 | E | B | 0.0000 | |
| 114 | A | B | 0.0541 | |
| 115 | A | B | 0.0000 | |
| 116 | R | B | -0.2669 | |
| 117 | E | B | -0.5462 | |
| 118 | E | B | -0.9282 | |
| 119 | A | B | 0.0000 | |
| 120 | E | B | 0.0000 | |
| 121 | K | B | -1.7000 | |
| 122 | M | B | 0.0000 | |
| 123 | R | B | -0.2693 | |
| 124 | E | B | -0.5234 | |
| 125 | E | B | -0.6542 | |
| 126 | F | B | 0.0000 | |
| 127 | E | B | 0.0000 | |
| 128 | K | B | -1.5104 | |
| 129 | L | B | 0.0048 | |
| 130 | L | B | 0.0000 | |
| 131 | E | B | -0.8318 | |
| 132 | E | B | -1.9113 | |
| 133 | V | B | 0.0000 | |
| 134 | K | B | -0.8792 | |
| 135 | K | B | -2.1383 | |
| 136 | E | B | -2.1428 | |
| 137 | G | B | -0.4184 | |
| 138 | P | B | -0.1425 | |
| 139 | L | B | 0.0000 | |
| 140 | T | B | -0.1634 | |
| 141 | E | B | -0.7322 | |
| 142 | V | B | -0.1221 | |
| 143 | E | B | -1.7542 | |
| 144 | H | B | 0.0000 | |
| 145 | V | B | 0.0000 | |
| 146 | L | B | 0.0000 | |
| 147 | K | B | -0.6450 | |
| 148 | L | B | 0.0000 | |
| 149 | L | B | 0.0000 | |
| 150 | E | B | -1.1508 | |
| 151 | K | B | -0.7005 | |
| 152 | F | B | 0.0000 | |
| 153 | L | B | -0.2562 | |
| 154 | K | B | -1.7000 | |
| 155 | Y | B | 0.0000 | |
| 156 | L | B | 0.0000 | |
| 157 | D | B | -0.7894 | |
| 158 | K | B | -0.8734 | |
| 159 | I | B | 0.0000 | |
| 160 | I | B | -0.0290 | |
| 161 | E | B | -1.7309 | |
| 162 | L | B | -0.2429 | |
| 163 | A | B | 0.0000 | |
| 164 | E | B | -1.7975 | |
| 165 | E | B | -1.0933 | |
| 166 | L | B | 0.0000 | |
| 167 | A | B | 0.0000 | |
| 168 | S | B | -0.0488 | |
| 169 | I | B | 0.7435 | |
| 170 | D | B | -0.4934 | |
| 171 | P | B | -0.6931 | |
| 172 | D | B | -1.8664 | |
| 173 | N | B | -0.8299 | |
| 174 | E | B | -1.8182 | |
| 175 | L | B | -0.1548 | |
| 176 | A | B | 0.0000 | |
| 177 | K | B | -1.0842 | |
| 178 | N | B | -0.5354 | |
| 179 | I | B | 0.0000 | |
| 180 | L | B | 0.0000 | |
| 181 | E | B | -1.7824 | |
| 182 | A | B | 0.0000 | |
| 183 | A | B | 0.0000 | |
| 184 | K | B | -1.3097 | |
| 185 | K | B | -0.8210 | |
| 186 | L | B | 0.0000 | |
| 187 | K | B | -0.7316 | |
| 188 | E | B | -1.8928 | |
| 189 | L | B | 0.0000 | |
| 190 | F | B | 0.0000 | |
| 191 | E | B | -1.0560 | |
| 192 | K | B | -1.8368 | |
| 193 | L | B | 0.0000 | |
| 194 | I | B | -0.0202 | |
| 195 | E | B | -1.8328 | |
| 196 | E | B | -0.7204 | |
| 197 | L | B | 0.0000 | |
| 198 | K | B | -2.0096 | |
| 199 | K | B | -2.0149 | |
| 200 | S | B | -0.3909 | |
| 201 | P | B | -0.5954 | |
| 202 | E | B | -1.8419 | |
| 203 | W | B | -0.1116 | |
| 204 | L | B | 0.4391 | |
| 205 | L | B | 0.3302 | |
| 206 | V | B | 0.2606 | |
| 207 | L | B | 0.0000 | |
| 208 | A | B | 0.0000 | |
| 209 | E | B | -0.5039 | |
| 210 | T | B | -0.1820 | |
| 211 | V | B | 0.0000 | |
| 212 | L | B | 0.0000 | |
| 213 | E | B | -0.7956 | |
| 214 | A | B | 0.0000 | |
| 215 | A | B | 0.0000 | |
| 216 | E | B | -0.3093 | |
| 217 | T | B | -0.0638 | |
| 218 | L | B | 0.0000 | |
| 219 | Y | B | 0.0000 | |
| 220 | D | B | -1.1368 | |
| 221 | L | B | 0.2440 | |
| 222 | I | B | 0.0000 | |
| 223 | V | B | 0.0000 | |
| 224 | K | B | -0.6339 | |
| 225 | P | B | -0.1769 | |
| 226 | A | B | -0.0065 | |
| 227 | L | B | 0.0000 | |
| 228 | E | B | -1.1896 | |
| 229 | A | B | -0.0938 | |
| 230 | Y | B | 0.0908 | |
| 231 | K | B | -1.6163 | |
| 232 | A | B | -0.2545 |
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