| Chain sequence(s) |
A: TCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG
B: TCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| pH calculations | No |
| alphaCutter 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 Aggrescan4D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:04)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | T | A | 0.1589 | |
| 2 | C | A | 0.4622 | |
| 3 | P | A | 0.0417 | |
| 4 | P | A | 0.0022 | |
| 5 | C | A | 0.1887 | |
| 6 | P | A | -0.4648 | |
| 7 | A | A | -0.4342 | |
| 8 | P | A | -0.8301 | |
| 9 | E | A | -1.1853 | |
| 10 | L | A | 0.5339 | |
| 11 | L | A | 1.4759 | |
| 12 | G | A | 0.0611 | |
| 13 | G | A | -0.2847 | |
| 14 | P | A | 0.0000 | |
| 15 | S | A | 0.1472 | |
| 16 | V | A | 0.0000 | |
| 17 | F | A | 1.8970 | |
| 18 | L | A | 1.3582 | |
| 19 | F | A | 1.6025 | |
| 20 | P | A | -0.0411 | |
| 21 | P | A | 0.0000 | |
| 22 | K | A | -1.9816 | |
| 23 | P | A | -1.2387 | |
| 24 | K | A | -0.8474 | |
| 25 | D | A | -0.9995 | |
| 26 | T | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | M | A | 0.6873 | |
| 29 | I | A | 1.5820 | |
| 30 | S | A | 0.3917 | |
| 31 | R | A | -0.5073 | |
| 32 | T | A | -0.4091 | |
| 33 | P | A | 0.0000 | |
| 34 | E | A | -1.0103 | |
| 35 | V | A | 0.0000 | |
| 36 | T | A | 0.4491 | |
| 37 | C | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | V | A | -0.4221 | |
| 41 | D | A | -1.5235 | |
| 42 | V | A | 0.0000 | |
| 43 | S | A | -2.0598 | |
| 44 | H | A | -2.2492 | |
| 45 | E | A | -2.8000 | |
| 46 | D | A | -2.4614 | |
| 47 | P | A | -2.5688 | |
| 48 | E | A | -3.0599 | |
| 49 | V | A | -2.0157 | |
| 50 | K | A | -2.2268 | |
| 51 | F | A | -1.1374 | |
| 52 | N | A | -1.0499 | |
| 53 | W | A | 0.0000 | |
| 54 | Y | A | -0.4504 | |
| 55 | V | A | -0.7435 | |
| 56 | D | A | -2.0391 | |
| 57 | G | A | -0.7868 | |
| 58 | V | A | 0.7309 | |
| 59 | E | A | -0.4087 | |
| 60 | V | A | -0.3460 | |
| 61 | H | A | -1.7911 | |
| 62 | N | A | -2.1026 | |
| 63 | A | A | -1.8827 | |
| 64 | K | A | -2.5266 | |
| 65 | T | A | -2.2133 | |
| 66 | K | A | -2.8935 | |
| 67 | P | A | -2.6230 | |
| 68 | R | A | -3.5939 | |
| 69 | E | A | -3.4747 | |
| 70 | E | A | -3.3075 | |
| 71 | Q | A | -1.8655 | |
| 72 | Y | A | -0.1171 | |
| 73 | N | A | -1.2784 | |
| 74 | S | A | -1.2565 | |
| 75 | T | A | -1.7522 | |
| 76 | Y | A | -2.4683 | |
| 77 | R | A | -2.2878 | |
| 78 | V | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | V | A | -0.8941 | |
| 82 | L | A | 0.0000 | |
| 83 | T | A | -0.5770 | |
| 84 | V | A | 0.0000 | |
| 85 | L | A | 0.9373 | |
| 86 | H | A | 0.0142 | |
| 87 | Q | A | -1.0691 | |
| 88 | D | A | -1.2217 | |
| 89 | W | A | 0.0000 | |
| 90 | L | A | -0.9798 | |
| 91 | N | A | -2.0216 | |
| 92 | G | A | -2.0452 | |
| 93 | K | A | -2.0045 | |
| 94 | E | A | -1.9276 | |
| 95 | Y | A | 0.0000 | |
| 96 | K | A | -1.5344 | |
| 97 | C | A | 0.0000 | |
| 98 | K | A | -1.4090 | |
| 99 | V | A | 0.0000 | |
| 100 | S | A | -1.3807 | |
| 101 | N | A | 0.0000 | |
| 102 | K | A | -2.5439 | |
| 103 | A | A | -1.3181 | |
| 104 | L | A | -0.6281 | |
| 105 | P | A | -0.3567 | |
| 106 | A | A | -0.3771 | |
| 107 | P | A | -0.7719 | |
| 108 | I | A | -0.5771 | |
| 109 | E | A | -1.6385 | |
| 110 | K | A | -1.0793 | |
| 111 | T | A | -0.8711 | |
| 112 | I | A | -0.1654 | |
| 113 | S | A | -1.0375 | |
| 114 | K | A | -1.2285 | |
| 115 | A | A | -1.1673 | |
| 116 | K | A | -2.3550 | |
| 117 | G | A | -1.9764 | |
| 118 | Q | A | -2.1308 | |
| 119 | P | A | -1.7724 | |
| 120 | R | A | -2.0407 | |
| 121 | E | A | -2.6202 | |
| 122 | P | A | 0.0000 | |
| 123 | Q | A | -1.1848 | |
| 124 | V | A | 0.0000 | |
| 125 | Y | A | 0.0000 | |
| 126 | T | A | -0.7259 | |
| 127 | L | A | 0.0000 | |
| 128 | P | A | -0.2975 | |
| 129 | P | A | -0.7030 | |
| 130 | S | A | -1.3600 | |
| 131 | R | A | -2.4247 | |
| 132 | D | A | -2.3918 | |
| 133 | E | A | 0.0000 | |
| 134 | L | A | -1.4320 | |
| 135 | T | A | -1.3532 | |
| 136 | K | A | -2.0404 | |
| 137 | N | A | -2.4432 | |
| 138 | Q | A | -2.3077 | |
| 139 | V | A | 0.0000 | |
| 140 | S | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | T | A | 0.0000 | |
| 143 | C | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | K | A | -0.4385 | |
| 147 | G | A | -0.9194 | |
| 148 | F | A | 0.0000 | |
| 149 | Y | A | -0.9641 | |
| 150 | P | A | 0.0000 | |
| 151 | S | A | -0.0638 | |
| 152 | D | A | -0.9295 | |
| 153 | I | A | -0.4655 | |
| 154 | A | A | -0.4201 | |
| 155 | V | A | 0.0000 | |
| 156 | E | A | -1.0440 | |
| 157 | W | A | 0.0000 | |
| 158 | E | A | -1.7666 | |
| 159 | S | A | 0.0000 | |
| 160 | N | A | -1.8684 | |
| 161 | G | A | -1.7703 | |
| 162 | Q | A | -2.3022 | |
| 163 | P | A | -1.9758 | |
| 164 | E | A | -1.8911 | |
| 165 | N | A | -2.1432 | |
| 166 | N | A | -1.5813 | |
| 167 | Y | A | -0.9978 | |
| 168 | K | A | -0.7586 | |
| 169 | T | A | -0.2331 | |
| 170 | T | A | 0.0000 | |
| 171 | P | A | -0.1152 | |
| 172 | P | A | 0.2250 | |
| 173 | V | A | 0.6889 | |
| 174 | L | A | 1.1075 | |
| 175 | D | A | -0.3045 | |
| 176 | S | A | -1.0607 | |
| 177 | D | A | -1.8243 | |
| 178 | G | A | -0.7747 | |
| 179 | S | A | 0.0000 | |
| 180 | F | A | 0.3447 | |
| 181 | F | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | Y | A | 0.0000 | |
| 184 | S | A | 0.0000 | |
| 185 | K | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | T | A | -0.9599 | |
| 188 | V | A | 0.0000 | |
| 189 | D | A | -2.5581 | |
| 190 | K | A | -2.4141 | |
| 191 | S | A | -2.1480 | |
| 192 | R | A | -1.9129 | |
| 193 | W | A | 0.0000 | |
| 194 | Q | A | -2.1531 | |
| 195 | Q | A | -2.0041 | |
| 196 | G | A | -1.0531 | |
| 197 | N | A | -0.7436 | |
| 198 | V | A | 0.2906 | |
| 199 | F | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | C | A | 0.0000 | |
| 202 | S | A | 0.0000 | |
| 203 | V | A | 0.0000 | |
| 204 | M | A | 0.0000 | |
| 205 | H | A | 0.0000 | |
| 206 | E | A | -0.9998 | |
| 207 | A | A | -1.5237 | |
| 208 | L | A | 0.0000 | |
| 209 | H | A | -1.7450 | |
| 210 | N | A | -1.3774 | |
| 211 | H | A | -0.8100 | |
| 212 | Y | A | -0.0681 | |
| 213 | T | A | -0.4801 | |
| 214 | Q | A | -0.8108 | |
| 215 | K | A | -0.9895 | |
| 216 | S | A | -0.4743 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | 0.0727 | |
| 219 | L | A | 0.1006 | |
| 220 | S | A | -0.2359 | |
| 221 | P | A | -0.4047 | |
| 222 | G | A | -0.5147 | |
| 1 | T | B | 0.1853 | |
| 2 | C | B | 0.5455 | |
| 3 | P | B | 0.0834 | |
| 4 | P | B | -0.0159 | |
| 5 | C | B | 0.0935 | |
| 6 | P | B | -0.4600 | |
| 7 | A | B | -0.7689 | |
| 8 | P | B | -1.1634 | |
| 9 | E | B | -1.4128 | |
| 10 | L | B | 0.1325 | |
| 11 | L | B | 1.2063 | |
| 12 | G | B | 0.5800 | |
| 13 | G | B | -0.1848 | |
| 14 | P | B | 0.0000 | |
| 15 | S | B | 0.2440 | |
| 16 | V | B | 0.0000 | |
| 17 | F | B | 1.9100 | |
| 18 | L | B | 1.3693 | |
| 19 | F | B | 1.6045 | |
| 20 | P | B | 0.0081 | |
| 21 | P | B | 0.0000 | |
| 22 | K | B | -1.9982 | |
| 23 | P | B | -1.2633 | |
| 24 | K | B | -0.8615 | |
| 25 | D | B | -1.0055 | |
| 26 | T | B | 0.0000 | |
| 27 | L | B | 0.0000 | |
| 28 | M | B | 0.6867 | |
| 29 | I | B | 1.5826 | |
| 30 | S | B | 0.3958 | |
| 31 | R | B | -0.4980 | |
| 32 | T | B | -0.4082 | |
| 33 | P | B | 0.0000 | |
| 34 | E | B | -1.0179 | |
| 35 | V | B | 0.0000 | |
| 36 | T | B | 0.4519 | |
| 37 | C | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | V | B | 0.0000 | |
| 40 | V | B | -0.3406 | |
| 41 | D | B | -0.8998 | |
| 42 | V | B | 0.0000 | |
| 43 | S | B | -1.9368 | |
| 44 | H | B | -2.1827 | |
| 45 | E | B | -2.7931 | |
| 46 | D | B | -2.4574 | |
| 47 | P | B | -2.5049 | |
| 48 | E | B | -3.0530 | |
| 49 | V | B | -2.0128 | |
| 50 | K | B | -2.2264 | |
| 51 | F | B | -1.1320 | |
| 52 | N | B | -1.0434 | |
| 53 | W | B | 0.0000 | |
| 54 | Y | B | -0.4447 | |
| 55 | V | B | -0.7342 | |
| 56 | D | B | -2.0265 | |
| 57 | G | B | -0.7811 | |
| 58 | V | B | 0.7339 | |
| 59 | E | B | -0.4036 | |
| 60 | V | B | -0.3419 | |
| 61 | H | B | -1.7880 | |
| 62 | N | B | -2.1019 | |
| 63 | A | B | -1.8813 | |
| 64 | K | B | -2.5263 | |
| 65 | T | B | -2.2111 | |
| 66 | K | B | -2.8877 | |
| 67 | P | B | -2.6160 | |
| 68 | R | B | -3.5359 | |
| 69 | E | B | -3.4443 | |
| 70 | E | B | -3.2347 | |
| 71 | Q | B | -1.7826 | |
| 72 | Y | B | -0.1110 | |
| 73 | N | B | -1.1731 | |
| 74 | S | B | -1.1888 | |
| 75 | T | B | 0.0000 | |
| 76 | Y | B | -2.3098 | |
| 77 | R | B | -2.1627 | |
| 78 | V | B | 0.0000 | |
| 79 | V | B | 0.0000 | |
| 80 | S | B | 0.0000 | |
| 81 | V | B | -0.8908 | |
| 82 | L | B | 0.0000 | |
| 83 | T | B | -0.5779 | |
| 84 | V | B | 0.0000 | |
| 85 | L | B | 0.9383 | |
| 86 | H | B | 0.0169 | |
| 87 | Q | B | -1.0669 | |
| 88 | D | B | -1.2166 | |
| 89 | W | B | 0.0000 | |
| 90 | L | B | -0.9797 | |
| 91 | N | B | -2.0159 | |
| 92 | G | B | -2.0377 | |
| 93 | K | B | -1.9855 | |
| 94 | E | B | -1.8914 | |
| 95 | Y | B | 0.0000 | |
| 96 | K | B | -1.5219 | |
| 97 | C | B | 0.0000 | |
| 98 | K | B | -1.4051 | |
| 99 | V | B | 0.0000 | |
| 100 | S | B | -1.3832 | |
| 101 | N | B | 0.0000 | |
| 102 | K | B | -2.5391 | |
| 103 | A | B | -1.1250 | |
| 104 | L | B | -0.4391 | |
| 105 | P | B | -0.5230 | |
| 106 | A | B | -0.3792 | |
| 107 | P | B | -0.7776 | |
| 108 | I | B | -0.5882 | |
| 109 | E | B | -1.6353 | |
| 110 | K | B | -1.0785 | |
| 111 | T | B | -0.8638 | |
| 112 | I | B | -0.1555 | |
| 113 | S | B | -1.0261 | |
| 114 | K | B | -1.2280 | |
| 115 | A | B | -1.1730 | |
| 116 | K | B | -2.3543 | |
| 117 | G | B | -1.9768 | |
| 118 | Q | B | -2.1315 | |
| 119 | P | B | -1.7725 | |
| 120 | R | B | -2.0412 | |
| 121 | E | B | -2.6198 | |
| 122 | P | B | 0.0000 | |
| 123 | Q | B | -1.1906 | |
| 124 | V | B | 0.0000 | |
| 125 | Y | B | 0.0000 | |
| 126 | T | B | -0.7292 | |
| 127 | L | B | 0.0000 | |
| 128 | P | B | -0.2964 | |
| 129 | P | B | -0.6976 | |
| 130 | S | B | -1.3482 | |
| 131 | R | B | -2.4062 | |
| 132 | D | B | -2.3541 | |
| 133 | E | B | 0.0000 | |
| 134 | L | B | -1.4386 | |
| 135 | T | B | -1.3459 | |
| 136 | K | B | -2.0443 | |
| 137 | N | B | -2.4515 | |
| 138 | Q | B | -2.3188 | |
| 139 | V | B | 0.0000 | |
| 140 | S | B | 0.0000 | |
| 141 | L | B | 0.0000 | |
| 142 | T | B | 0.0000 | |
| 143 | C | B | 0.0000 | |
| 144 | L | B | 0.0000 | |
| 145 | V | B | 0.0000 | |
| 146 | K | B | -0.4387 | |
| 147 | G | B | -0.9204 | |
| 148 | F | B | 0.0000 | |
| 149 | Y | B | -0.9720 | |
| 150 | P | B | 0.0000 | |
| 151 | S | B | -0.0893 | |
| 152 | D | B | -0.9382 | |
| 153 | I | B | -0.4820 | |
| 154 | A | B | -0.4252 | |
| 155 | V | B | 0.0000 | |
| 156 | E | B | -1.0554 | |
| 157 | W | B | 0.0000 | |
| 158 | E | B | -1.7715 | |
| 159 | S | B | 0.0000 | |
| 160 | N | B | -1.8712 | |
| 161 | G | B | -1.7718 | |
| 162 | Q | B | -2.3025 | |
| 163 | P | B | -1.9779 | |
| 164 | E | B | -1.8922 | |
| 165 | N | B | -2.1419 | |
| 166 | N | B | -1.5733 | |
| 167 | Y | B | -0.9963 | |
| 168 | K | B | -0.7580 | |
| 169 | T | B | -0.2349 | |
| 170 | T | B | 0.0000 | |
| 171 | P | B | -0.0529 | |
| 172 | P | B | 0.2171 | |
| 173 | V | B | 0.6872 | |
| 174 | L | B | 1.1060 | |
| 175 | D | B | -0.3060 | |
| 176 | S | B | -1.0631 | |
| 177 | D | B | -1.8263 | |
| 178 | G | B | -0.7793 | |
| 179 | S | B | 0.0000 | |
| 180 | F | B | 0.3405 | |
| 181 | F | B | 0.0000 | |
| 182 | L | B | 0.0000 | |
| 183 | Y | B | 0.0000 | |
| 184 | S | B | 0.0000 | |
| 185 | K | B | 0.0000 | |
| 186 | L | B | 0.0000 | |
| 187 | T | B | -0.9589 | |
| 188 | V | B | 0.0000 | |
| 189 | D | B | -2.5652 | |
| 190 | K | B | -2.4217 | |
| 191 | S | B | -2.0979 | |
| 192 | R | B | -1.9140 | |
| 193 | W | B | 0.0000 | |
| 194 | Q | B | -2.1530 | |
| 195 | Q | B | -2.0063 | |
| 196 | G | B | -1.0571 | |
| 197 | N | B | -0.7516 | |
| 198 | V | B | 0.2745 | |
| 199 | F | B | 0.0000 | |
| 200 | S | B | 0.0000 | |
| 201 | C | B | 0.0000 | |
| 202 | S | B | 0.0000 | |
| 203 | V | B | 0.0000 | |
| 204 | M | B | 0.0000 | |
| 205 | H | B | 0.0000 | |
| 206 | E | B | -1.0036 | |
| 207 | A | B | -1.5198 | |
| 208 | L | B | 0.0000 | |
| 209 | H | B | -1.7422 | |
| 210 | N | B | -1.3715 | |
| 211 | H | B | -0.8019 | |
| 212 | Y | B | -0.0606 | |
| 213 | T | B | -0.4743 | |
| 214 | Q | B | -0.8065 | |
| 215 | K | B | -0.9871 | |
| 216 | S | B | -0.4765 | |
| 217 | L | B | 0.0000 | |
| 218 | S | B | 0.0683 | |
| 219 | L | B | 0.1027 | |
| 220 | S | B | -0.2328 | |
| 221 | P | B | -0.4027 | |
| 222 | G | B | -0.5140 |
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