| Chain sequence(s) |
A: ARLLIQLPSSSDDFKFQVWRKMFRALMPVTEELTFDPSSAHPSLVVSPSGRRVECSEQKAPPAGDDKRRFDKAVAVVAKQQLSEGEHYWEVEVGDKPRWALGVIAADASRRGKLHAVPSQGLWLLGLRDGKILEAHVEAKEPRVLRTPERRPTRIGIYLSFADGVLTFYDASDPDALVPLFTFHERLPGPVYPFFDVCWHDKGKNSQPLLLVGP
B: ARLLIQLPSSSDDFKFQVWRKMFRALMPVTEELTFDPSSAHPSLVVSPSGRRVECSEQKAPPAGDDKRRFDKAVAVVAKQQLSEGEHYWEVEVGDKPRWALGVIAADASRRGKLHAVPSQGLWLLGLRDGKILEAHVEAKEPRVLRTPERRPTRIGIYLSFADGVLTFYDASDPDALVPLFTFHERLPGPVYPFFDVCWHDKGKNSQPLLLVGP 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 (00:08:26)
[INFO] Main: Simulation completed successfully. (00:08:30)
|
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 | -0.6789 | |
| 2 | R | A | -1.5984 | |
| 3 | L | A | -0.4921 | |
| 4 | L | A | -0.3827 | |
| 5 | I | A | 0.0000 | |
| 6 | Q | A | -1.3477 | |
| 7 | L | A | -0.6490 | |
| 8 | P | A | -0.4841 | |
| 9 | S | A | -0.5776 | |
| 10 | S | A | -0.6004 | |
| 11 | S | A | -0.7987 | |
| 12 | D | A | 0.0000 | |
| 13 | D | A | -1.9480 | |
| 14 | F | A | -0.9284 | |
| 15 | K | A | 0.0000 | |
| 16 | F | A | -1.2590 | |
| 17 | Q | A | -1.9792 | |
| 18 | V | A | 0.0000 | |
| 19 | W | A | 0.0000 | |
| 20 | R | A | -2.6373 | |
| 21 | K | A | -2.5094 | |
| 22 | M | A | 0.0000 | |
| 23 | F | A | 0.0000 | |
| 24 | R | A | -1.1235 | |
| 25 | A | A | -0.3577 | |
| 26 | L | A | 0.0000 | |
| 27 | M | A | 0.0000 | |
| 28 | P | A | 0.3333 | |
| 29 | V | A | 1.0885 | |
| 30 | T | A | 0.0000 | |
| 31 | E | A | -1.0744 | |
| 32 | E | A | -2.1362 | |
| 33 | L | A | 0.0000 | |
| 34 | T | A | -1.5994 | |
| 35 | F | A | 0.0000 | |
| 36 | D | A | -1.2817 | |
| 37 | P | A | -0.3859 | |
| 38 | S | A | -1.0429 | |
| 39 | S | A | 0.0000 | |
| 40 | A | A | 0.0000 | |
| 41 | H | A | 0.0000 | |
| 42 | P | A | -0.5471 | |
| 43 | S | A | 0.0000 | |
| 44 | L | A | 0.0000 | |
| 45 | V | A | 0.9094 | |
| 46 | V | A | -0.1958 | |
| 47 | S | A | -0.6948 | |
| 48 | P | A | -0.6284 | |
| 49 | S | A | -0.9956 | |
| 50 | G | A | 0.0000 | |
| 51 | R | A | -2.1433 | |
| 52 | R | A | -2.0868 | |
| 53 | V | A | 0.0000 | |
| 54 | E | A | -0.8692 | |
| 55 | C | A | 0.0000 | |
| 56 | S | A | -1.6869 | |
| 57 | E | A | -3.3596 | |
| 58 | Q | A | -2.9603 | |
| 59 | K | A | -2.8093 | |
| 60 | A | A | -1.6219 | |
| 61 | P | A | -0.9855 | |
| 62 | P | A | -0.9845 | |
| 63 | A | A | -1.8570 | |
| 64 | G | A | -2.0216 | |
| 65 | D | A | -3.3667 | |
| 66 | D | A | -3.5435 | |
| 67 | K | A | -3.9434 | |
| 68 | R | A | -3.8291 | |
| 69 | R | A | -3.0378 | |
| 70 | F | A | 0.0000 | |
| 71 | D | A | -2.5367 | |
| 72 | K | A | -2.3896 | |
| 73 | A | A | -1.3535 | |
| 74 | V | A | 0.0000 | |
| 75 | A | A | 0.0000 | |
| 76 | V | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | A | A | 0.0000 | |
| 79 | K | A | -1.9604 | |
| 80 | Q | A | -1.7006 | |
| 81 | Q | A | -1.5845 | |
| 82 | L | A | 0.0000 | |
| 83 | S | A | -1.6099 | |
| 84 | E | A | -2.4235 | |
| 85 | G | A | -1.8558 | |
| 86 | E | A | -2.0166 | |
| 87 | H | A | -1.1863 | |
| 88 | Y | A | 0.0000 | |
| 89 | W | A | 0.0000 | |
| 90 | E | A | 0.0000 | |
| 91 | V | A | 0.0000 | |
| 92 | E | A | -1.3627 | |
| 93 | V | A | 0.0000 | |
| 94 | G | A | -1.5240 | |
| 95 | D | A | -2.2765 | |
| 96 | K | A | 0.0000 | |
| 97 | P | A | 0.0000 | |
| 98 | R | A | -2.1773 | |
| 99 | W | A | 0.0000 | |
| 100 | A | A | -0.3712 | |
| 101 | L | A | 0.0000 | |
| 102 | G | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | I | A | 0.0000 | |
| 105 | A | A | -0.9487 | |
| 106 | A | A | -1.2871 | |
| 107 | D | A | -2.1804 | |
| 108 | A | A | -1.5196 | |
| 109 | S | A | -1.8199 | |
| 110 | R | A | 0.0000 | |
| 111 | R | A | -2.5828 | |
| 112 | G | A | -1.9198 | |
| 113 | K | A | -2.5544 | |
| 114 | L | A | -1.7753 | |
| 115 | H | A | -1.8538 | |
| 116 | A | A | -1.6562 | |
| 117 | V | A | 0.0000 | |
| 118 | P | A | -1.3020 | |
| 119 | S | A | -1.3383 | |
| 120 | Q | A | -1.9513 | |
| 121 | G | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | W | A | 0.0000 | |
| 124 | L | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | G | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | R | A | -2.5015 | |
| 129 | D | A | -2.9470 | |
| 130 | G | A | -2.5956 | |
| 131 | K | A | -2.6698 | |
| 132 | I | A | -1.1834 | |
| 133 | L | A | 0.0000 | |
| 134 | E | A | 0.0000 | |
| 135 | A | A | 0.0000 | |
| 136 | H | A | -1.5399 | |
| 137 | V | A | 0.0000 | |
| 138 | E | A | -2.9061 | |
| 139 | A | A | -2.6804 | |
| 140 | K | A | -3.3557 | |
| 141 | E | A | -3.2187 | |
| 142 | P | A | -2.1446 | |
| 143 | R | A | -2.0252 | |
| 144 | V | A | 0.3757 | |
| 145 | L | A | -0.1459 | |
| 146 | R | A | -1.6551 | |
| 147 | T | A | -1.5928 | |
| 148 | P | A | -1.8376 | |
| 149 | E | A | -2.7089 | |
| 150 | R | A | -2.4321 | |
| 151 | R | A | -2.1105 | |
| 152 | P | A | 0.0000 | |
| 153 | T | A | -1.4117 | |
| 154 | R | A | -1.1524 | |
| 155 | I | A | 0.0000 | |
| 156 | G | A | 0.0000 | |
| 157 | I | A | 0.0000 | |
| 158 | Y | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | S | A | 0.0000 | |
| 161 | F | A | -1.4320 | |
| 162 | A | A | -0.9013 | |
| 163 | D | A | 0.0000 | |
| 164 | G | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | T | A | 0.0000 | |
| 168 | F | A | 0.0000 | |
| 169 | Y | A | 0.0000 | |
| 170 | D | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | S | A | -1.1232 | |
| 173 | D | A | -1.6612 | |
| 174 | P | A | -1.7114 | |
| 175 | D | A | -2.6248 | |
| 176 | A | A | -1.6831 | |
| 177 | L | A | 0.0000 | |
| 178 | V | A | 0.9008 | |
| 179 | P | A | 0.7282 | |
| 180 | L | A | 0.3435 | |
| 181 | F | A | 0.0339 | |
| 182 | T | A | -0.4116 | |
| 183 | F | A | 0.0000 | |
| 184 | H | A | -1.9697 | |
| 185 | E | A | -2.2326 | |
| 186 | R | A | -2.4805 | |
| 187 | L | A | 0.0000 | |
| 188 | P | A | -1.0903 | |
| 189 | G | A | -1.1274 | |
| 190 | P | A | -1.0612 | |
| 191 | V | A | 0.0000 | |
| 192 | Y | A | -0.6407 | |
| 193 | P | A | 0.0000 | |
| 194 | F | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | D | A | -0.2054 | |
| 197 | V | A | 0.0000 | |
| 198 | C | A | -0.1498 | |
| 199 | W | A | -0.6037 | |
| 200 | H | A | -1.8511 | |
| 201 | D | A | -2.3666 | |
| 202 | K | A | -2.9851 | |
| 203 | G | A | -2.4950 | |
| 204 | K | A | -2.6260 | |
| 205 | N | A | 0.0000 | |
| 206 | S | A | -1.6685 | |
| 207 | Q | A | -1.2943 | |
| 208 | P | A | -1.1918 | |
| 209 | L | A | 0.0000 | |
| 210 | L | A | -1.1339 | |
| 211 | L | A | 0.0000 | |
| 212 | V | A | -0.7235 | |
| 213 | G | A | -0.6077 | |
| 214 | P | A | -0.3496 | |
| 1 | A | B | -0.7410 | |
| 2 | R | B | -1.6519 | |
| 3 | L | B | -0.4982 | |
| 4 | L | B | -0.2845 | |
| 5 | I | B | -0.4509 | |
| 6 | Q | B | -1.2173 | |
| 7 | L | B | -0.5920 | |
| 8 | P | B | -0.5116 | |
| 9 | S | B | -0.6270 | |
| 10 | S | B | -0.6389 | |
| 11 | S | B | -0.9401 | |
| 12 | D | B | 0.0000 | |
| 13 | D | B | -1.9814 | |
| 14 | F | B | -1.0239 | |
| 15 | K | B | 0.0000 | |
| 16 | F | B | -1.1011 | |
| 17 | Q | B | -1.8365 | |
| 18 | V | B | 0.0000 | |
| 19 | W | B | -1.3627 | |
| 20 | R | B | -2.2440 | |
| 21 | K | B | -2.0975 | |
| 22 | M | B | 0.0000 | |
| 23 | F | B | 0.0000 | |
| 24 | R | B | -0.9275 | |
| 25 | A | B | -0.2203 | |
| 26 | L | B | 0.0000 | |
| 27 | M | B | 0.0000 | |
| 28 | P | B | 0.3728 | |
| 29 | V | B | 1.1172 | |
| 30 | T | B | 0.0000 | |
| 31 | E | B | -1.0584 | |
| 32 | E | B | -2.1450 | |
| 33 | L | B | 0.0000 | |
| 34 | T | B | -1.6457 | |
| 35 | F | B | 0.0000 | |
| 36 | D | B | -1.3067 | |
| 37 | P | B | -0.3863 | |
| 38 | S | B | -1.0382 | |
| 39 | S | B | 0.0000 | |
| 40 | A | B | 0.0000 | |
| 41 | H | B | 0.0000 | |
| 42 | P | B | -0.6080 | |
| 43 | S | B | 0.0000 | |
| 44 | L | B | 0.0000 | |
| 45 | V | B | 0.9063 | |
| 46 | V | B | -0.2233 | |
| 47 | S | B | -0.7317 | |
| 48 | P | B | -0.6522 | |
| 49 | S | B | -1.0304 | |
| 50 | G | B | 0.0000 | |
| 51 | R | B | -2.2217 | |
| 52 | R | B | -2.1715 | |
| 53 | V | B | 0.0000 | |
| 54 | E | B | -0.8220 | |
| 55 | C | B | 0.0000 | |
| 56 | S | B | -1.6423 | |
| 57 | E | B | -3.4635 | |
| 58 | Q | B | -2.9613 | |
| 59 | K | B | -2.8089 | |
| 60 | A | B | -1.6255 | |
| 61 | P | B | -0.9937 | |
| 62 | P | B | -1.0460 | |
| 63 | A | B | -1.9645 | |
| 64 | G | B | -2.0814 | |
| 65 | D | B | -3.3969 | |
| 66 | D | B | -3.5360 | |
| 67 | K | B | -3.9587 | |
| 68 | R | B | -3.8322 | |
| 69 | R | B | -3.0919 | |
| 70 | F | B | 0.0000 | |
| 71 | D | B | -2.8479 | |
| 72 | K | B | -2.5402 | |
| 73 | A | B | -1.4282 | |
| 74 | V | B | 0.0000 | |
| 75 | A | B | 0.0000 | |
| 76 | V | B | 0.0000 | |
| 77 | V | B | 0.0000 | |
| 78 | A | B | 0.0000 | |
| 79 | K | B | -2.0330 | |
| 80 | Q | B | -1.8384 | |
| 81 | Q | B | -1.6499 | |
| 82 | L | B | 0.0000 | |
| 83 | S | B | -1.6576 | |
| 84 | E | B | -2.4890 | |
| 85 | G | B | -1.9124 | |
| 86 | E | B | -1.9219 | |
| 87 | H | B | -1.1397 | |
| 88 | Y | B | 0.0000 | |
| 89 | W | B | 0.0000 | |
| 90 | E | B | 0.0000 | |
| 91 | V | B | 0.0000 | |
| 92 | E | B | -1.2755 | |
| 93 | V | B | 0.0000 | |
| 94 | G | B | -1.5850 | |
| 95 | D | B | -2.4543 | |
| 96 | K | B | 0.0000 | |
| 97 | P | B | -2.7658 | |
| 98 | R | B | -2.8030 | |
| 99 | W | B | 0.0000 | |
| 100 | A | B | -0.5481 | |
| 101 | L | B | 0.0000 | |
| 102 | G | B | 0.0000 | |
| 103 | V | B | 0.0000 | |
| 104 | I | B | 0.0000 | |
| 105 | A | B | -0.9542 | |
| 106 | A | B | -1.2912 | |
| 107 | D | B | -2.1820 | |
| 108 | A | B | -1.5260 | |
| 109 | S | B | -1.8374 | |
| 110 | R | B | 0.0000 | |
| 111 | R | B | -2.7273 | |
| 112 | G | B | -2.0841 | |
| 113 | K | B | -2.6347 | |
| 114 | L | B | -1.7614 | |
| 115 | H | B | -1.7956 | |
| 116 | A | B | -1.5543 | |
| 117 | V | B | -1.6393 | |
| 118 | P | B | -1.2006 | |
| 119 | S | B | -1.2634 | |
| 120 | Q | B | -1.8779 | |
| 121 | G | B | 0.0000 | |
| 122 | L | B | 0.0000 | |
| 123 | W | B | 0.0000 | |
| 124 | L | B | 0.0000 | |
| 125 | L | B | 0.0000 | |
| 126 | G | B | 0.0000 | |
| 127 | L | B | 0.0000 | |
| 128 | R | B | -3.0215 | |
| 129 | D | B | -3.1989 | |
| 130 | G | B | 0.0000 | |
| 131 | K | B | -3.1549 | |
| 132 | I | B | -1.5965 | |
| 133 | L | B | 0.0000 | |
| 134 | E | B | -0.9124 | |
| 135 | A | B | 0.0000 | |
| 136 | H | B | -1.5880 | |
| 137 | V | B | 0.0000 | |
| 138 | E | B | -2.8404 | |
| 139 | A | B | -2.6419 | |
| 140 | K | B | -3.3287 | |
| 141 | E | B | -3.2411 | |
| 142 | P | B | -2.2255 | |
| 143 | R | B | -2.1678 | |
| 144 | V | B | 0.2253 | |
| 145 | L | B | -0.2642 | |
| 146 | R | B | -1.7206 | |
| 147 | T | B | -1.9778 | |
| 148 | P | B | -2.4034 | |
| 149 | E | B | -3.3019 | |
| 150 | R | B | -3.6737 | |
| 151 | R | B | -3.4458 | |
| 152 | P | B | 0.0000 | |
| 153 | T | B | -1.7073 | |
| 154 | R | B | -1.2260 | |
| 155 | I | B | 0.0000 | |
| 156 | G | B | 0.0000 | |
| 157 | I | B | 0.0000 | |
| 158 | Y | B | 0.0000 | |
| 159 | L | B | 0.0000 | |
| 160 | S | B | 0.0000 | |
| 161 | F | B | 0.0000 | |
| 162 | A | B | -1.0005 | |
| 163 | D | B | 0.0000 | |
| 164 | G | B | 0.0000 | |
| 165 | V | B | 0.0000 | |
| 166 | L | B | 0.0000 | |
| 167 | T | B | 0.0000 | |
| 168 | F | B | 0.0000 | |
| 169 | Y | B | 0.0000 | |
| 170 | D | B | -0.4138 | |
| 171 | A | B | 0.0000 | |
| 172 | S | B | -1.1862 | |
| 173 | D | B | -1.2016 | |
| 174 | P | B | -1.3179 | |
| 175 | D | B | -1.9994 | |
| 176 | A | B | -1.3057 | |
| 177 | L | B | 0.0000 | |
| 178 | V | B | 0.7235 | |
| 179 | P | B | 0.5587 | |
| 180 | L | B | 0.1948 | |
| 181 | F | B | 0.1194 | |
| 182 | T | B | -0.2417 | |
| 183 | F | B | 0.0000 | |
| 184 | H | B | -1.9658 | |
| 185 | E | B | -2.2684 | |
| 186 | R | B | -2.5380 | |
| 187 | L | B | 0.0000 | |
| 188 | P | B | -1.1166 | |
| 189 | G | B | -1.1645 | |
| 190 | P | B | -1.1028 | |
| 191 | V | B | 0.0000 | |
| 192 | Y | B | -0.6807 | |
| 193 | P | B | 0.0000 | |
| 194 | F | B | 0.0000 | |
| 195 | F | B | 0.0000 | |
| 196 | D | B | -0.2477 | |
| 197 | V | B | 0.0000 | |
| 198 | C | B | -0.3284 | |
| 199 | W | B | -0.7790 | |
| 200 | H | B | -2.2619 | |
| 201 | D | B | -3.2982 | |
| 202 | K | B | -3.4155 | |
| 203 | G | B | -2.8004 | |
| 204 | K | B | -2.9705 | |
| 205 | N | B | 0.0000 | |
| 206 | S | B | -1.8523 | |
| 207 | Q | B | -1.3403 | |
| 208 | P | B | -1.1858 | |
| 209 | L | B | 0.0000 | |
| 210 | L | B | -1.1267 | |
| 211 | L | B | 0.0000 | |
| 212 | V | B | -0.6435 | |
| 213 | G | B | -0.5356 | |
| 214 | P | B | -0.3108 |
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