| Chain sequence(s) |
A: GREEEILERARELRERAEEAIRFLDENADEPWAAGPLGQMLRDIAEAIIRIAEAVELLLEPPTEERVERALELIAEAWALALAAILELLLVKKVEVKRKQNGDDSPPTQEEIEAAREEAEKMREEFEKLLEEVKKEGPLTEVEHVLKLLEKFLKYLDKIIELAEELASIDPDNELAKNILEAAKKLKELFEKLIEELKKSPEWLLVLAETVLEAAETLYDLIVKPALEAYKA
B: GREEEILERARELRERAEEAIRFLDENADEPWAAGPLGQMLRDIAEAIIRIAEAVELLLEPPTEERVERALELIAEAWALALAAILELLLVKKVEVKRPPTQEEIEAAREEAEKMREEFEKLLEEVKKEGPLTEVEHVLKLLEKFLKYLDKIIELAEELASIDPDNELAKNILEAAKKLKELFEKLIEELKKSPEWLLVLAETVLEAAETLYDLIVKPALEAYKA input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 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. (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:04)
|
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 | -2.5813 | |
| 2 | R | A | -3.1091 | |
| 3 | E | A | -4.0250 | |
| 4 | E | A | -4.2678 | |
| 5 | E | A | -4.3774 | |
| 6 | I | A | 0.0000 | |
| 7 | L | A | -3.2135 | |
| 8 | E | A | -4.2792 | |
| 9 | R | A | -3.7140 | |
| 10 | A | A | 0.0000 | |
| 11 | R | A | -4.0835 | |
| 12 | E | A | -4.1717 | |
| 13 | L | A | 0.0000 | |
| 14 | R | A | -3.5080 | |
| 15 | E | A | -4.1271 | |
| 16 | R | A | -3.2738 | |
| 17 | A | A | 0.0000 | |
| 18 | E | A | -2.7567 | |
| 19 | E | A | -3.0286 | |
| 20 | A | A | 0.0000 | |
| 21 | I | A | 0.0000 | |
| 22 | R | A | -2.1392 | |
| 23 | F | A | -1.4250 | |
| 24 | L | A | 0.0000 | |
| 25 | D | A | 0.0000 | |
| 26 | E | A | -2.6218 | |
| 27 | N | A | -2.0554 | |
| 28 | A | A | -1.9407 | |
| 29 | D | A | -2.9295 | |
| 30 | E | A | -1.9398 | |
| 31 | P | A | -1.0529 | |
| 32 | W | A | -0.3960 | |
| 33 | A | A | -0.7718 | |
| 34 | A | A | -0.7880 | |
| 35 | G | A | -0.2669 | |
| 36 | P | A | -0.0820 | |
| 37 | L | A | 0.0417 | |
| 38 | G | A | 0.0000 | |
| 39 | Q | A | -0.1940 | |
| 40 | M | A | 0.0000 | |
| 41 | L | A | 0.0000 | |
| 42 | R | A | 0.0000 | |
| 43 | D | A | -0.2645 | |
| 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 | -0.7227 | |
| 51 | I | A | 0.0000 | |
| 52 | A | A | 0.0000 | |
| 53 | E | A | -1.0272 | |
| 54 | A | A | 0.0000 | |
| 55 | V | A | 0.0000 | |
| 56 | E | A | -1.0284 | |
| 57 | L | A | -0.4791 | |
| 58 | L | A | 0.0000 | |
| 59 | L | A | -0.8937 | |
| 60 | E | A | -1.4613 | |
| 61 | P | A | -0.9711 | |
| 62 | P | A | -1.4241 | |
| 63 | T | A | -2.1148 | |
| 64 | E | A | -3.0695 | |
| 65 | E | A | -3.2189 | |
| 66 | R | A | -2.6504 | |
| 67 | V | A | 0.0000 | |
| 68 | E | A | 0.0000 | |
| 69 | R | A | -1.3355 | |
| 70 | A | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | E | A | 0.0000 | |
| 73 | L | A | 0.1235 | |
| 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 | -0.1088 | |
| 91 | V | A | 0.0000 | |
| 92 | K | A | -0.4213 | |
| 93 | K | A | -0.6433 | |
| 94 | V | A | -0.6379 | |
| 95 | E | A | -1.6058 | |
| 96 | V | A | -1.5917 | |
| 97 | K | A | -2.2901 | |
| 98 | R | A | -2.8637 | |
| 99 | K | A | -3.2898 | |
| 100 | Q | A | -3.1084 | |
| 101 | N | A | -3.1708 | |
| 102 | G | A | -3.0978 | |
| 103 | D | A | -3.6639 | |
| 104 | D | A | -3.4283 | |
| 105 | S | A | -2.1061 | |
| 106 | P | A | -1.2152 | |
| 107 | P | A | 0.0000 | |
| 108 | T | A | -0.6311 | |
| 109 | Q | A | -0.7699 | |
| 110 | E | A | -1.4950 | |
| 111 | E | A | -0.8938 | |
| 112 | I | A | -0.5153 | |
| 113 | E | A | 0.0000 | |
| 114 | A | A | -0.8006 | |
| 115 | A | A | 0.0000 | |
| 116 | R | A | -1.0297 | |
| 117 | E | A | -1.6186 | |
| 118 | E | A | -1.6676 | |
| 119 | A | A | 0.0000 | |
| 120 | E | A | 0.0000 | |
| 121 | K | A | -2.5771 | |
| 122 | M | A | 0.0000 | |
| 123 | R | A | -1.5902 | |
| 124 | E | A | -1.9143 | |
| 125 | E | A | -2.0825 | |
| 126 | F | A | 0.0000 | |
| 127 | E | A | 0.0000 | |
| 128 | K | A | -2.6992 | |
| 129 | L | A | -1.8058 | |
| 130 | L | A | 0.0000 | |
| 131 | E | A | -2.9132 | |
| 132 | E | A | -3.5890 | |
| 133 | V | A | 0.0000 | |
| 134 | K | A | -3.0414 | |
| 135 | K | A | -3.6380 | |
| 136 | E | A | -3.4019 | |
| 137 | G | A | -2.4065 | |
| 138 | P | A | -1.8860 | |
| 139 | L | A | 0.0000 | |
| 140 | T | A | -1.3034 | |
| 141 | E | A | -1.3629 | |
| 142 | V | A | -1.3003 | |
| 143 | E | A | -2.2294 | |
| 144 | H | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | L | A | -1.6745 | |
| 147 | K | A | -1.3883 | |
| 148 | L | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | E | A | -2.2014 | |
| 151 | K | A | -1.7623 | |
| 152 | F | A | 0.0000 | |
| 153 | L | A | -2.1114 | |
| 154 | K | A | -2.4606 | |
| 155 | Y | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | D | A | -2.1229 | |
| 158 | K | A | -1.9843 | |
| 159 | I | A | 0.0000 | |
| 160 | I | A | -2.1152 | |
| 161 | E | A | -2.5794 | |
| 162 | L | A | -1.5800 | |
| 163 | A | A | 0.0000 | |
| 164 | E | A | -2.4308 | |
| 165 | E | A | -1.7354 | |
| 166 | L | A | 0.0000 | |
| 167 | A | A | -1.6554 | |
| 168 | S | A | -0.9903 | |
| 169 | I | A | -0.8608 | |
| 170 | D | A | -1.8454 | |
| 171 | P | A | -1.9076 | |
| 172 | D | A | -2.6788 | |
| 173 | N | A | -2.2540 | |
| 174 | E | A | -2.7244 | |
| 175 | L | A | -1.4374 | |
| 176 | A | A | 0.0000 | |
| 177 | K | A | -2.4654 | |
| 178 | N | A | -1.7988 | |
| 179 | I | A | 0.0000 | |
| 180 | L | A | -1.9938 | |
| 181 | E | A | -2.3362 | |
| 182 | A | A | 0.0000 | |
| 183 | A | A | 0.0000 | |
| 184 | K | A | -2.5722 | |
| 185 | K | A | -2.4753 | |
| 186 | L | A | 0.0000 | |
| 187 | K | A | -2.8556 | |
| 188 | E | A | -3.3465 | |
| 189 | L | A | 0.0000 | |
| 190 | F | A | 0.0000 | |
| 191 | E | A | -3.3593 | |
| 192 | K | A | -3.4873 | |
| 193 | L | A | 0.0000 | |
| 194 | I | A | -2.6084 | |
| 195 | E | A | -3.4829 | |
| 196 | E | A | -2.8899 | |
| 197 | L | A | 0.0000 | |
| 198 | K | A | -3.2543 | |
| 199 | K | A | -3.2207 | |
| 200 | S | A | -2.2181 | |
| 201 | P | A | -1.7070 | |
| 202 | E | A | -1.8225 | |
| 203 | W | A | -1.1638 | |
| 204 | L | A | -0.1315 | |
| 205 | L | A | -0.6699 | |
| 206 | V | A | -0.2751 | |
| 207 | L | A | 0.0000 | |
| 208 | A | A | 0.0000 | |
| 209 | E | A | -1.0115 | |
| 210 | T | A | -0.6379 | |
| 211 | V | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | E | A | -1.1000 | |
| 214 | A | A | 0.0000 | |
| 215 | A | A | 0.0000 | |
| 216 | E | A | -1.2155 | |
| 217 | T | A | -1.0032 | |
| 218 | L | A | 0.0000 | |
| 219 | Y | A | 0.0000 | |
| 220 | D | A | -1.5408 | |
| 221 | L | A | -0.8335 | |
| 222 | I | A | 0.0000 | |
| 223 | V | A | 0.0000 | |
| 224 | K | A | -1.5294 | |
| 225 | P | A | -1.3044 | |
| 226 | A | A | -0.9936 | |
| 227 | L | A | 0.0000 | |
| 228 | E | A | -1.8119 | |
| 229 | A | A | -1.0906 | |
| 230 | Y | A | -0.8024 | |
| 231 | K | A | -1.8703 | |
| 232 | A | A | -0.9017 | |
| 1 | G | B | -2.6180 | |
| 2 | R | B | -3.3492 | |
| 3 | E | B | -4.0686 | |
| 4 | E | B | -4.4676 | |
| 5 | E | B | -4.6160 | |
| 6 | I | B | 0.0000 | |
| 7 | L | B | -3.4421 | |
| 8 | E | B | -4.5058 | |
| 9 | R | B | -3.5588 | |
| 10 | A | B | 0.0000 | |
| 11 | R | B | -4.2759 | |
| 12 | E | B | -3.9153 | |
| 13 | L | B | 0.0000 | |
| 14 | R | B | -3.0174 | |
| 15 | E | B | -3.1375 | |
| 16 | R | B | -2.6023 | |
| 17 | A | B | 0.0000 | |
| 18 | E | B | 0.0000 | |
| 19 | E | B | -2.1117 | |
| 20 | A | B | 0.0000 | |
| 21 | I | B | 0.0000 | |
| 22 | R | B | -1.7948 | |
| 23 | F | B | -1.1608 | |
| 24 | L | B | 0.0000 | |
| 25 | D | B | 0.0000 | |
| 26 | E | B | -2.7192 | |
| 27 | N | B | -2.1724 | |
| 28 | A | B | -2.1843 | |
| 29 | D | B | -3.1072 | |
| 30 | E | B | -2.3744 | |
| 31 | P | B | -1.2362 | |
| 32 | W | B | -0.5224 | |
| 33 | A | B | 0.0000 | |
| 34 | A | B | -0.8919 | |
| 35 | G | B | -0.2672 | |
| 36 | P | B | -0.0666 | |
| 37 | L | B | 0.0959 | |
| 38 | G | B | 0.0000 | |
| 39 | Q | B | -0.2096 | |
| 40 | M | B | 0.0000 | |
| 41 | L | B | 0.0000 | |
| 42 | R | B | 0.0000 | |
| 43 | D | B | -0.2872 | |
| 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 | -0.4731 | |
| 51 | I | B | 0.0000 | |
| 52 | A | B | 0.0000 | |
| 53 | E | B | -0.9562 | |
| 54 | A | B | 0.0000 | |
| 55 | V | B | 0.0000 | |
| 56 | E | B | -0.9033 | |
| 57 | L | B | -0.2319 | |
| 58 | L | B | -0.2657 | |
| 59 | L | B | -0.7166 | |
| 60 | E | B | -1.0521 | |
| 61 | P | B | -0.7258 | |
| 62 | P | B | -1.2725 | |
| 63 | T | B | -1.9429 | |
| 64 | E | B | -2.9553 | |
| 65 | E | B | -3.0272 | |
| 66 | R | B | -2.1570 | |
| 67 | V | B | -1.4119 | |
| 68 | E | B | -1.5937 | |
| 69 | R | B | -1.1807 | |
| 70 | A | B | 0.0000 | |
| 71 | L | B | 0.0000 | |
| 72 | E | B | 0.0000 | |
| 73 | L | B | 0.1207 | |
| 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 | -0.0789 | |
| 91 | V | B | 0.0000 | |
| 92 | K | B | -0.6947 | |
| 93 | K | B | -0.9639 | |
| 94 | V | B | -1.0296 | |
| 95 | E | B | -1.6020 | |
| 96 | V | B | -1.3243 | |
| 97 | K | B | -2.4785 | |
| 98 | R | B | -2.7385 | |
| 106 | P | B | -0.6240 | |
| 107 | P | B | -0.7677 | |
| 108 | T | B | -0.6479 | |
| 109 | Q | B | -0.7366 | |
| 110 | E | B | -1.4195 | |
| 111 | E | B | -0.8218 | |
| 112 | I | B | -0.4655 | |
| 113 | E | B | 0.0000 | |
| 114 | A | B | -0.8691 | |
| 115 | A | B | 0.0000 | |
| 116 | R | B | -0.9778 | |
| 117 | E | B | -1.5568 | |
| 118 | E | B | -1.6251 | |
| 119 | A | B | 0.0000 | |
| 120 | E | B | 0.0000 | |
| 121 | K | B | -2.5095 | |
| 122 | M | B | 0.0000 | |
| 123 | R | B | -1.5301 | |
| 124 | E | B | -1.8260 | |
| 125 | E | B | -1.8084 | |
| 126 | F | B | 0.0000 | |
| 127 | E | B | 0.0000 | |
| 128 | K | B | -2.4952 | |
| 129 | L | B | -1.6617 | |
| 130 | L | B | 0.0000 | |
| 131 | E | B | -2.8799 | |
| 132 | E | B | -3.5776 | |
| 133 | V | B | 0.0000 | |
| 134 | K | B | -2.8173 | |
| 135 | K | B | -3.6298 | |
| 136 | E | B | -3.4173 | |
| 137 | G | B | -2.3527 | |
| 138 | P | B | -1.6318 | |
| 139 | L | B | 0.0000 | |
| 140 | T | B | -1.0972 | |
| 141 | E | B | -1.2384 | |
| 142 | V | B | -1.3111 | |
| 143 | E | B | -2.2901 | |
| 144 | H | B | 0.0000 | |
| 145 | V | B | 0.0000 | |
| 146 | L | B | 0.0000 | |
| 147 | K | B | -1.3899 | |
| 148 | L | B | 0.0000 | |
| 149 | L | B | 0.0000 | |
| 150 | E | B | -1.9061 | |
| 151 | K | B | -1.6670 | |
| 152 | F | B | 0.0000 | |
| 153 | L | B | -1.8783 | |
| 154 | K | B | -2.4451 | |
| 155 | Y | B | 0.0000 | |
| 156 | L | B | 0.0000 | |
| 157 | D | B | -2.1947 | |
| 158 | K | B | -2.1108 | |
| 159 | I | B | 0.0000 | |
| 160 | I | B | -2.3146 | |
| 161 | E | B | -2.7784 | |
| 162 | L | B | -1.7842 | |
| 163 | A | B | 0.0000 | |
| 164 | E | B | -2.9610 | |
| 165 | E | B | -1.9798 | |
| 166 | L | B | 0.0000 | |
| 167 | A | B | 0.0000 | |
| 168 | S | B | -1.0738 | |
| 169 | I | B | -0.5001 | |
| 170 | D | B | -1.7548 | |
| 171 | P | B | -1.9870 | |
| 172 | D | B | -2.7314 | |
| 173 | N | B | -2.3070 | |
| 174 | E | B | -2.8529 | |
| 175 | L | B | -1.5931 | |
| 176 | A | B | 0.0000 | |
| 177 | K | B | -2.8955 | |
| 178 | N | B | -2.0557 | |
| 179 | I | B | 0.0000 | |
| 180 | L | B | 0.0000 | |
| 181 | E | B | -2.8153 | |
| 182 | A | B | 0.0000 | |
| 183 | A | B | 0.0000 | |
| 184 | K | B | -2.7616 | |
| 185 | K | B | -2.5112 | |
| 186 | L | B | 0.0000 | |
| 187 | K | B | -2.7761 | |
| 188 | E | B | -3.2023 | |
| 189 | L | B | 0.0000 | |
| 190 | F | B | 0.0000 | |
| 191 | E | B | -2.9231 | |
| 192 | K | B | -3.2498 | |
| 193 | L | B | 0.0000 | |
| 194 | I | B | -2.5273 | |
| 195 | E | B | -3.2642 | |
| 196 | E | B | -2.7604 | |
| 197 | L | B | 0.0000 | |
| 198 | K | B | -3.3825 | |
| 199 | K | B | -3.1976 | |
| 200 | S | B | -2.1663 | |
| 201 | P | B | -1.7001 | |
| 202 | E | B | -2.0322 | |
| 203 | W | B | -1.1860 | |
| 204 | L | B | 0.0334 | |
| 205 | L | B | -0.5377 | |
| 206 | V | B | -0.2309 | |
| 207 | L | B | 0.0000 | |
| 208 | A | B | 0.0000 | |
| 209 | E | B | -1.0296 | |
| 210 | T | B | -0.6552 | |
| 211 | V | B | 0.0000 | |
| 212 | L | B | 0.0000 | |
| 213 | E | B | -1.1079 | |
| 214 | A | B | 0.0000 | |
| 215 | A | B | 0.0000 | |
| 216 | E | B | -1.2112 | |
| 217 | T | B | -0.9576 | |
| 218 | L | B | 0.0000 | |
| 219 | Y | B | 0.0000 | |
| 220 | D | B | -1.3886 | |
| 221 | L | B | -0.8515 | |
| 222 | I | B | 0.0000 | |
| 223 | V | B | 0.0000 | |
| 224 | K | B | -1.3116 | |
| 225 | P | B | -1.1229 | |
| 226 | A | B | -0.9979 | |
| 227 | L | B | 0.0000 | |
| 228 | E | B | -1.8132 | |
| 229 | A | B | -1.1420 | |
| 230 | Y | B | -0.7906 | |
| 231 | K | B | -1.8789 | |
| 232 | A | B | -0.9085 |
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