| Chain sequence(s) |
A: ASKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFSYGVQCFSRYPDHMKRHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGIT
B: ASKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFSYGVQCFSRYPDHMKRHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGIT 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 (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:14:35)
[INFO] Main: Simulation completed successfully. (00:14:40)
|
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 | -1.1889 | |
| 2 | S | A | -1.6480 | |
| 3 | K | A | -2.1481 | |
| 4 | G | A | 0.0000 | |
| 5 | E | A | -1.6264 | |
| 6 | E | A | -2.0271 | |
| 7 | L | A | -0.7433 | |
| 8 | F | A | 0.0000 | |
| 9 | T | A | -0.3438 | |
| 10 | G | A | 0.2547 | |
| 11 | V | A | 1.0312 | |
| 12 | V | A | 0.0000 | |
| 13 | P | A | -1.0811 | |
| 14 | I | A | 0.0000 | |
| 15 | L | A | -1.1453 | |
| 16 | V | A | 0.0000 | |
| 17 | E | A | -1.9309 | |
| 18 | L | A | 0.0000 | |
| 19 | D | A | -3.2206 | |
| 20 | G | A | 0.0000 | |
| 21 | D | A | -2.4534 | |
| 22 | V | A | 0.0000 | |
| 23 | N | A | -1.9375 | |
| 24 | G | A | -1.6143 | |
| 25 | H | A | -2.3418 | |
| 26 | K | A | -2.9443 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | -1.6975 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -1.0260 | |
| 31 | G | A | 0.0000 | |
| 32 | E | A | -2.3764 | |
| 33 | G | A | -1.7205 | |
| 34 | E | A | -1.7988 | |
| 35 | G | A | 0.0000 | |
| 36 | D | A | -0.3872 | |
| 37 | A | A | 0.0000 | |
| 38 | T | A | -0.1905 | |
| 39 | Y | A | -0.4146 | |
| 40 | G | A | 0.0000 | |
| 41 | K | A | -0.6982 | |
| 42 | L | A | 0.0000 | |
| 43 | T | A | -1.0775 | |
| 44 | L | A | 0.0000 | |
| 45 | K | A | -1.4369 | |
| 46 | F | A | 0.0000 | |
| 47 | I | A | -0.7978 | |
| 48 | C | A | 0.0000 | |
| 49 | T | A | -0.4866 | |
| 50 | T | A | -0.9182 | |
| 51 | G | A | -1.2182 | |
| 52 | K | A | -1.9935 | |
| 53 | L | A | 0.0000 | |
| 54 | P | A | -1.1990 | |
| 55 | V | A | 0.0000 | |
| 56 | P | A | 0.0000 | |
| 57 | W | A | 0.0000 | |
| 58 | P | A | 0.0000 | |
| 59 | T | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | T | A | 0.0000 | |
| 63 | T | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 66 | Y | A | 0.0000 | |
| 67 | G | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | Q | A | 0.0000 | |
| 70 | C | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | S | A | 0.0000 | |
| 73 | R | A | -1.0247 | |
| 74 | Y | A | 0.0000 | |
| 75 | P | A | -1.7055 | |
| 76 | D | A | -2.7827 | |
| 77 | H | A | -2.2547 | |
| 78 | M | A | 0.0000 | |
| 79 | K | A | -2.5374 | |
| 80 | R | A | -2.7692 | |
| 81 | H | A | -1.6127 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | F | A | 0.0000 | |
| 85 | K | A | 0.0000 | |
| 86 | S | A | -0.9674 | |
| 87 | A | A | 0.0000 | |
| 88 | M | A | 0.0000 | |
| 89 | P | A | -1.0222 | |
| 90 | E | A | -1.6406 | |
| 91 | G | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | V | A | -0.6822 | |
| 94 | Q | A | 0.0000 | |
| 95 | E | A | -1.6454 | |
| 96 | R | A | 0.0000 | |
| 97 | T | A | -0.2657 | |
| 98 | I | A | 0.0000 | |
| 99 | F | A | 0.3374 | |
| 100 | F | A | 0.0000 | |
| 101 | K | A | -2.1817 | |
| 102 | D | A | -2.9802 | |
| 103 | D | A | -2.6316 | |
| 104 | G | A | 0.0000 | |
| 105 | N | A | -0.6585 | |
| 106 | Y | A | 0.0000 | |
| 107 | K | A | -1.4226 | |
| 108 | T | A | 0.0000 | |
| 109 | R | A | -3.0571 | |
| 110 | A | A | 0.0000 | |
| 111 | E | A | -2.0452 | |
| 112 | V | A | 0.0000 | |
| 113 | K | A | -1.2177 | |
| 114 | F | A | -1.2906 | |
| 115 | E | A | -1.5502 | |
| 116 | G | A | -1.6934 | |
| 117 | D | A | -2.1344 | |
| 118 | T | A | -1.5990 | |
| 119 | L | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | N | A | 0.0000 | |
| 122 | R | A | -2.4459 | |
| 123 | I | A | 0.0000 | |
| 124 | E | A | -3.7893 | |
| 125 | L | A | 0.0000 | |
| 126 | K | A | -2.2966 | |
| 127 | G | A | 0.0000 | |
| 128 | I | A | -1.1036 | |
| 129 | D | A | -2.4904 | |
| 130 | F | A | 0.0000 | |
| 131 | K | A | -3.8934 | |
| 132 | E | A | -3.9165 | |
| 133 | D | A | -3.5821 | |
| 134 | G | A | -2.8685 | |
| 135 | N | A | -2.3415 | |
| 136 | I | A | 0.0000 | |
| 137 | L | A | -1.9576 | |
| 138 | G | A | -2.3102 | |
| 139 | H | A | -2.1229 | |
| 140 | K | A | -2.4000 | |
| 141 | L | A | 0.0000 | |
| 142 | E | A | -1.2763 | |
| 143 | Y | A | -0.3303 | |
| 144 | N | A | 0.0000 | |
| 145 | Y | A | 0.0000 | |
| 146 | N | A | 0.0000 | |
| 147 | S | A | 0.0000 | |
| 148 | H | A | 0.0000 | |
| 149 | N | A | -0.6610 | |
| 150 | V | A | 0.0000 | |
| 151 | Y | A | 0.1827 | |
| 152 | I | A | 0.0000 | |
| 153 | M | A | -0.8345 | |
| 154 | A | A | -1.7993 | |
| 155 | D | A | -2.5114 | |
| 156 | K | A | -3.2608 | |
| 157 | Q | A | -3.1854 | |
| 158 | K | A | -3.4415 | |
| 159 | N | A | -2.5715 | |
| 160 | G | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | K | A | -1.4595 | |
| 163 | V | A | 0.0000 | |
| 164 | N | A | -0.4526 | |
| 165 | F | A | 0.0000 | |
| 166 | K | A | -1.4777 | |
| 167 | I | A | 0.0000 | |
| 168 | R | A | -0.6907 | |
| 169 | H | A | 0.0000 | |
| 170 | N | A | -0.8384 | |
| 171 | I | A | 0.0000 | |
| 172 | E | A | -3.1614 | |
| 173 | D | A | -2.9635 | |
| 174 | G | A | -1.8497 | |
| 175 | S | A | -0.7688 | |
| 176 | V | A | 0.0819 | |
| 177 | Q | A | 0.0000 | |
| 178 | L | A | -0.6563 | |
| 179 | A | A | 0.0000 | |
| 180 | D | A | -0.6534 | |
| 181 | H | A | 0.0000 | |
| 182 | Y | A | 0.0981 | |
| 183 | Q | A | 0.0000 | |
| 184 | Q | A | -1.3195 | |
| 185 | N | A | 0.0000 | |
| 186 | T | A | -0.7523 | |
| 187 | P | A | -0.6627 | |
| 188 | I | A | -0.0949 | |
| 189 | G | A | -1.1022 | |
| 190 | D | A | -1.9793 | |
| 191 | G | A | -1.2533 | |
| 192 | P | A | -0.6844 | |
| 193 | V | A | -0.3266 | |
| 194 | L | A | -0.2997 | |
| 195 | L | A | -0.7769 | |
| 196 | P | A | 0.0000 | |
| 197 | D | A | -2.1360 | |
| 198 | N | A | -1.1848 | |
| 199 | H | A | 0.0000 | |
| 200 | Y | A | 0.1200 | |
| 201 | L | A | 0.0000 | |
| 202 | S | A | -0.2170 | |
| 203 | T | A | 0.0000 | |
| 204 | Q | A | 0.0000 | |
| 205 | S | A | 0.0000 | |
| 206 | A | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | S | A | -0.5284 | |
| 209 | K | A | -1.4896 | |
| 210 | D | A | -1.6532 | |
| 211 | P | A | -1.5546 | |
| 212 | N | A | -2.2529 | |
| 213 | E | A | -2.4743 | |
| 214 | K | A | -2.7976 | |
| 215 | R | A | -2.3049 | |
| 216 | D | A | -1.6672 | |
| 217 | H | A | 0.0000 | |
| 218 | M | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | L | A | -0.0356 | |
| 222 | E | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | V | A | 0.0000 | |
| 225 | T | A | -0.3287 | |
| 226 | A | A | 0.0000 | |
| 227 | A | A | -0.1709 | |
| 228 | G | A | -0.4561 | |
| 229 | I | A | -0.4510 | |
| 230 | T | A | -0.1713 | |
| 1 | A | B | -1.1409 | |
| 2 | S | B | -1.5801 | |
| 3 | K | B | -2.1144 | |
| 4 | G | B | 0.0000 | |
| 5 | E | B | -1.4876 | |
| 6 | E | B | -1.7948 | |
| 7 | L | B | -0.6158 | |
| 8 | F | B | 0.0000 | |
| 9 | T | B | -0.2720 | |
| 10 | G | B | 0.2565 | |
| 11 | V | B | 0.9970 | |
| 12 | V | B | 0.0000 | |
| 13 | P | B | -1.0816 | |
| 14 | I | B | 0.0000 | |
| 15 | L | B | -1.1160 | |
| 16 | V | B | 0.0000 | |
| 17 | E | B | -1.9196 | |
| 18 | L | B | 0.0000 | |
| 19 | D | B | -3.1620 | |
| 20 | G | B | 0.0000 | |
| 21 | D | B | -2.2810 | |
| 22 | V | B | 0.0000 | |
| 23 | N | B | -1.8594 | |
| 24 | G | B | -1.5219 | |
| 25 | H | B | -1.9764 | |
| 26 | K | B | -2.7681 | |
| 27 | F | B | 0.0000 | |
| 28 | S | B | -1.6323 | |
| 29 | V | B | 0.0000 | |
| 30 | S | B | -1.0476 | |
| 31 | G | B | 0.0000 | |
| 32 | E | B | -2.3952 | |
| 33 | G | B | -1.7548 | |
| 34 | E | B | -1.8273 | |
| 35 | G | B | 0.0000 | |
| 36 | D | B | -0.4452 | |
| 37 | A | B | 0.0000 | |
| 38 | T | B | -0.2166 | |
| 39 | Y | B | -0.4461 | |
| 40 | G | B | 0.0000 | |
| 41 | K | B | -0.7285 | |
| 42 | L | B | 0.0000 | |
| 43 | T | B | -1.1085 | |
| 44 | L | B | 0.0000 | |
| 45 | K | B | -1.4961 | |
| 46 | F | B | 0.0000 | |
| 47 | I | B | -0.8661 | |
| 48 | C | B | 0.0000 | |
| 49 | T | B | -0.4938 | |
| 50 | T | B | -0.8974 | |
| 51 | G | B | -1.1810 | |
| 52 | K | B | -1.9287 | |
| 53 | L | B | -1.0706 | |
| 54 | P | B | -1.1095 | |
| 55 | V | B | 0.0000 | |
| 56 | P | B | 0.0000 | |
| 57 | W | B | 0.0000 | |
| 58 | P | B | 0.0000 | |
| 59 | T | B | 0.0000 | |
| 60 | L | B | 0.0000 | |
| 61 | V | B | 0.0000 | |
| 62 | T | B | 0.0000 | |
| 63 | T | B | 0.0000 | |
| 64 | F | B | 0.0000 | |
| 66 | Y | B | 0.0000 | |
| 67 | G | B | 0.0000 | |
| 68 | V | B | 0.0000 | |
| 69 | Q | B | 0.0000 | |
| 70 | C | B | 0.0000 | |
| 71 | F | B | 0.0000 | |
| 72 | S | B | 0.0000 | |
| 73 | R | B | -0.9995 | |
| 74 | Y | B | 0.0000 | |
| 75 | P | B | -1.7177 | |
| 76 | D | B | -2.8279 | |
| 77 | H | B | -2.3919 | |
| 78 | M | B | 0.0000 | |
| 79 | K | B | -2.5005 | |
| 80 | R | B | -2.7691 | |
| 81 | H | B | -1.6725 | |
| 82 | D | B | 0.0000 | |
| 83 | F | B | 0.0000 | |
| 84 | F | B | 0.0000 | |
| 85 | K | B | 0.0000 | |
| 86 | S | B | -0.9166 | |
| 87 | A | B | 0.0000 | |
| 88 | M | B | 0.0000 | |
| 89 | P | B | -1.1383 | |
| 90 | E | B | -1.5483 | |
| 91 | G | B | 0.0000 | |
| 92 | Y | B | 0.0000 | |
| 93 | V | B | -0.6474 | |
| 94 | Q | B | 0.0000 | |
| 95 | E | B | -2.3209 | |
| 96 | R | B | 0.0000 | |
| 97 | T | B | -0.3816 | |
| 98 | I | B | 0.0000 | |
| 99 | F | B | 0.3619 | |
| 100 | F | B | 0.0000 | |
| 101 | K | B | -2.1318 | |
| 102 | D | B | -2.9719 | |
| 103 | D | B | -2.6543 | |
| 104 | G | B | 0.0000 | |
| 105 | N | B | -0.6533 | |
| 106 | Y | B | 0.0000 | |
| 107 | K | B | -1.4964 | |
| 108 | T | B | 0.0000 | |
| 109 | R | B | -2.8033 | |
| 110 | A | B | 0.0000 | |
| 111 | E | B | -1.6584 | |
| 112 | V | B | 0.0000 | |
| 113 | K | B | -1.1063 | |
| 114 | F | B | -1.2213 | |
| 115 | E | B | -1.5231 | |
| 116 | G | B | -1.6832 | |
| 117 | D | B | -2.1266 | |
| 118 | T | B | -1.4041 | |
| 119 | L | B | 0.0000 | |
| 120 | V | B | 0.0000 | |
| 121 | N | B | 0.0000 | |
| 122 | R | B | -2.2339 | |
| 123 | I | B | 0.0000 | |
| 124 | E | B | -3.5330 | |
| 125 | L | B | 0.0000 | |
| 126 | K | B | -2.1146 | |
| 127 | G | B | 0.0000 | |
| 128 | I | B | -1.1545 | |
| 129 | D | B | -2.4974 | |
| 130 | F | B | 0.0000 | |
| 131 | K | B | -3.9663 | |
| 132 | E | B | -3.9602 | |
| 133 | D | B | -3.6071 | |
| 134 | G | B | -2.8884 | |
| 135 | N | B | -2.1356 | |
| 136 | I | B | 0.0000 | |
| 137 | L | B | -2.0018 | |
| 138 | G | B | -2.3187 | |
| 139 | H | B | -2.1111 | |
| 140 | K | B | -2.3707 | |
| 141 | L | B | 0.0000 | |
| 142 | E | B | -1.2639 | |
| 143 | Y | B | -0.3069 | |
| 144 | N | B | 0.0000 | |
| 145 | Y | B | 0.0000 | |
| 146 | N | B | 0.0000 | |
| 147 | S | B | 0.0000 | |
| 148 | H | B | 0.0000 | |
| 149 | N | B | -0.6631 | |
| 150 | V | B | 0.0000 | |
| 151 | Y | B | 0.1744 | |
| 152 | I | B | 0.0000 | |
| 153 | M | B | -0.8263 | |
| 154 | A | B | -1.6934 | |
| 155 | D | B | -2.2421 | |
| 156 | K | B | -3.1173 | |
| 157 | Q | B | -3.0211 | |
| 158 | K | B | -3.0878 | |
| 159 | N | B | -2.5255 | |
| 160 | G | B | 0.0000 | |
| 161 | I | B | 0.0000 | |
| 162 | K | B | -1.2503 | |
| 163 | V | B | 0.0000 | |
| 164 | N | B | -0.5427 | |
| 165 | F | B | 0.0000 | |
| 166 | K | B | -1.4057 | |
| 167 | I | B | 0.0000 | |
| 168 | R | B | -0.7035 | |
| 169 | H | B | 0.0000 | |
| 170 | N | B | -0.8608 | |
| 171 | I | B | 0.0000 | |
| 172 | E | B | -3.1607 | |
| 173 | D | B | -2.9767 | |
| 174 | G | B | -1.8682 | |
| 175 | S | B | -0.8177 | |
| 176 | V | B | -0.0055 | |
| 177 | Q | B | 0.0000 | |
| 178 | L | B | -0.6239 | |
| 179 | A | B | 0.0000 | |
| 180 | D | B | -0.6203 | |
| 181 | H | B | 0.0000 | |
| 182 | Y | B | 0.0153 | |
| 183 | Q | B | 0.0000 | |
| 184 | Q | B | -1.4504 | |
| 185 | N | B | 0.0000 | |
| 186 | T | B | -0.7430 | |
| 187 | P | B | -0.5849 | |
| 188 | I | B | -0.0149 | |
| 189 | G | B | -1.0614 | |
| 190 | D | B | -1.9535 | |
| 191 | G | B | -1.2177 | |
| 192 | P | B | -0.6753 | |
| 193 | V | B | -0.3081 | |
| 194 | L | B | -0.2868 | |
| 195 | L | B | -0.7583 | |
| 196 | P | B | 0.0000 | |
| 197 | D | B | -2.2343 | |
| 198 | N | B | -1.3921 | |
| 199 | H | B | 0.0000 | |
| 200 | Y | B | 0.1725 | |
| 201 | L | B | 0.0000 | |
| 202 | S | B | -0.1827 | |
| 203 | T | B | 0.0000 | |
| 204 | Q | B | 0.0000 | |
| 205 | S | B | 0.0000 | |
| 206 | A | B | 0.0000 | |
| 207 | L | B | 0.0000 | |
| 208 | S | B | -0.5310 | |
| 209 | K | B | -1.3294 | |
| 210 | D | B | -1.7148 | |
| 211 | P | B | -1.5577 | |
| 212 | N | B | -2.3046 | |
| 213 | E | B | -2.5419 | |
| 214 | K | B | -2.8059 | |
| 215 | R | B | -2.4670 | |
| 216 | D | B | -1.6885 | |
| 217 | H | B | 0.0000 | |
| 218 | M | B | 0.0000 | |
| 219 | V | B | 0.0000 | |
| 220 | L | B | 0.0000 | |
| 221 | L | B | -0.0511 | |
| 222 | E | B | 0.0000 | |
| 223 | F | B | 0.0000 | |
| 224 | V | B | 0.0000 | |
| 225 | T | B | -0.3854 | |
| 226 | A | B | 0.0000 | |
| 227 | A | B | -0.1282 | |
| 228 | G | B | -0.4027 | |
| 229 | I | B | -0.4834 | |
| 230 | T | B | -0.1884 |
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