| Chain sequence(s) |
A: NPRGVAYIINNKNFARFSGMPKRNGTDVDARALNKLWTDFGFKTKTFTDVSGYDMRQNLRSLAKQDHSDYDCVIVSILTHGVEGKLYASDGELVPVEELIQLFNAGEVHKSLIGKPRLFFLQACRGDYFDKGVDQPDGGALALKMLEDYDFTDGKLQSLPSQADMFIGYATIPGYVSWRNSERGAWFVQGIVNVFTRFADSEHLADLNDRVNRYVAIEVEHPATTSKSHP
B: NPRGVAYIINNKNFARFSGMPKRNGTDVDARALNKLWTDFGFKTKTFTDVSGYDMRQNLRSLAKQDHSDYDCVIVSILTHGVEGKLYASDGELVPVEELIQLFNAGEVHKSLIGKPRLFFLQACRGDYFDKGVDQPDGGALALKMLEDYDFTDGKLQSLPSQADMFIGYATIPGYVSWRNSERGAWFVQGIVNVFTRFADSEHLADLNDRVNRYVAIEVEHPATTSKSHP 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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:05)
[INFO] Main: Simulation completed successfully. (00:08:10)
|
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 | N | A | -2.3231 | |
| 2 | P | A | -1.9291 | |
| 3 | R | A | -1.7901 | |
| 4 | G | A | 0.0000 | |
| 5 | V | A | 0.0000 | |
| 6 | A | A | 0.0000 | |
| 7 | Y | A | 0.0000 | |
| 8 | I | A | 0.0000 | |
| 9 | I | A | 0.0000 | |
| 10 | N | A | 0.0000 | |
| 11 | N | A | 0.0000 | |
| 12 | K | A | -1.6566 | |
| 13 | N | A | -2.0456 | |
| 14 | F | A | -1.6880 | |
| 15 | A | A | -1.5690 | |
| 16 | R | A | -1.5002 | |
| 17 | F | A | 0.4755 | |
| 18 | S | A | -0.5104 | |
| 19 | G | A | -0.5504 | |
| 20 | M | A | -1.0062 | |
| 21 | P | A | -1.6128 | |
| 22 | K | A | -2.6196 | |
| 23 | R | A | 0.0000 | |
| 24 | N | A | -2.7255 | |
| 25 | G | A | -2.2126 | |
| 26 | T | A | 0.0000 | |
| 27 | D | A | -1.2645 | |
| 28 | V | A | -1.1207 | |
| 29 | D | A | 0.0000 | |
| 30 | A | A | 0.0000 | |
| 31 | R | A | -2.1988 | |
| 32 | A | A | -1.4112 | |
| 33 | L | A | 0.0000 | |
| 34 | N | A | -2.1988 | |
| 35 | K | A | -2.7246 | |
| 36 | L | A | 0.0000 | |
| 37 | W | A | 0.0000 | |
| 38 | T | A | -1.9005 | |
| 39 | D | A | -2.2428 | |
| 40 | F | A | -1.1091 | |
| 41 | G | A | -1.4259 | |
| 42 | F | A | 0.0000 | |
| 43 | K | A | -1.7126 | |
| 44 | T | A | -1.5190 | |
| 45 | K | A | -1.3733 | |
| 46 | T | A | -0.7285 | |
| 47 | F | A | 0.1552 | |
| 48 | T | A | -0.2469 | |
| 49 | D | A | -1.0834 | |
| 50 | V | A | 0.0000 | |
| 51 | S | A | -1.2065 | |
| 52 | G | A | 0.0000 | |
| 53 | Y | A | -0.1073 | |
| 54 | D | A | -1.4272 | |
| 55 | M | A | 0.0000 | |
| 56 | R | A | -1.8386 | |
| 57 | Q | A | -1.9599 | |
| 58 | N | A | -1.6242 | |
| 59 | L | A | 0.0000 | |
| 60 | R | A | -3.1894 | |
| 61 | S | A | -2.1576 | |
| 62 | L | A | -1.9126 | |
| 63 | A | A | 0.0000 | |
| 64 | K | A | -3.2779 | |
| 65 | Q | A | -3.1466 | |
| 66 | D | A | -3.3335 | |
| 67 | H | A | 0.0000 | |
| 68 | S | A | -2.4360 | |
| 69 | D | A | -2.9831 | |
| 70 | Y | A | -2.4583 | |
| 71 | D | A | -2.5913 | |
| 72 | C | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | S | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | T | A | 0.0000 | |
| 80 | H | A | -0.1138 | |
| 81 | G | A | -0.2517 | |
| 82 | V | A | -0.3618 | |
| 83 | E | A | -1.3122 | |
| 84 | G | A | -1.3313 | |
| 85 | K | A | -1.2358 | |
| 86 | L | A | 0.0000 | |
| 87 | Y | A | -0.4655 | |
| 88 | A | A | 0.0000 | |
| 89 | S | A | 0.0000 | |
| 90 | D | A | -2.2703 | |
| 91 | G | A | -1.6942 | |
| 92 | E | A | -1.7549 | |
| 93 | L | A | -0.7995 | |
| 94 | V | A | 0.0000 | |
| 95 | P | A | -1.1891 | |
| 96 | V | A | 0.0000 | |
| 97 | E | A | -2.1035 | |
| 98 | E | A | -2.3402 | |
| 99 | L | A | 0.0000 | |
| 100 | I | A | 0.0000 | |
| 101 | Q | A | -1.7138 | |
| 102 | L | A | -1.4702 | |
| 103 | F | A | 0.0000 | |
| 104 | N | A | -0.9163 | |
| 105 | A | A | 0.0000 | |
| 106 | G | A | 0.0000 | |
| 107 | E | A | -2.4023 | |
| 108 | V | A | -1.2542 | |
| 109 | H | A | 0.0000 | |
| 110 | K | A | -2.7413 | |
| 111 | S | A | -2.1918 | |
| 112 | L | A | 0.0000 | |
| 113 | I | A | 0.0000 | |
| 114 | G | A | -1.7224 | |
| 115 | K | A | -1.2969 | |
| 116 | P | A | -0.4500 | |
| 117 | R | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | F | A | 0.0000 | |
| 120 | F | A | 0.0000 | |
| 121 | L | A | 0.0000 | |
| 122 | Q | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | C | A | -0.1124 | |
| 125 | R | A | -0.5372 | |
| 126 | G | A | -0.4685 | |
| 127 | D | A | -0.6972 | |
| 128 | Y | A | 1.2228 | |
| 129 | F | A | 1.6484 | |
| 130 | D | A | 0.0000 | |
| 131 | K | A | -1.2416 | |
| 132 | G | A | -1.3668 | |
| 133 | V | A | -1.8267 | |
| 134 | D | A | -2.5803 | |
| 135 | Q | A | -2.5883 | |
| 136 | P | A | -1.9635 | |
| 137 | D | A | -2.2677 | |
| 138 | G | A | -1.2920 | |
| 139 | G | A | -1.0278 | |
| 140 | A | A | -0.0670 | |
| 141 | L | A | 1.2453 | |
| 142 | A | A | 0.3107 | |
| 143 | L | A | 0.0000 | |
| 144 | K | A | -1.6350 | |
| 145 | M | A | -1.1998 | |
| 146 | L | A | -1.4727 | |
| 147 | E | A | -2.4106 | |
| 148 | D | A | -2.7710 | |
| 149 | Y | A | 0.0000 | |
| 150 | D | A | -2.7836 | |
| 151 | F | A | -1.8109 | |
| 152 | T | A | -1.8144 | |
| 153 | D | A | -3.0417 | |
| 154 | G | A | -2.7068 | |
| 155 | K | A | -2.7099 | |
| 156 | L | A | -2.1390 | |
| 157 | Q | A | -2.5182 | |
| 158 | S | A | -2.0123 | |
| 159 | L | A | 0.0000 | |
| 160 | P | A | 0.0000 | |
| 161 | S | A | -1.1058 | |
| 162 | Q | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | D | A | -0.5202 | |
| 165 | M | A | 0.3321 | |
| 166 | F | A | 0.9458 | |
| 167 | I | A | 0.9716 | |
| 168 | G | A | 0.5235 | |
| 169 | Y | A | 0.5744 | |
| 170 | A | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | I | A | 0.3358 | |
| 173 | P | A | -0.2552 | |
| 174 | G | A | -0.1047 | |
| 175 | Y | A | 0.6168 | |
| 176 | V | A | 0.4835 | |
| 177 | S | A | 0.3843 | |
| 178 | W | A | -0.1138 | |
| 179 | R | A | -1.5093 | |
| 180 | N | A | -2.2173 | |
| 181 | S | A | -2.4136 | |
| 182 | E | A | -3.2099 | |
| 183 | R | A | -3.1379 | |
| 184 | G | A | 0.0000 | |
| 185 | A | A | 0.0000 | |
| 186 | W | A | -0.8429 | |
| 187 | F | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | Q | A | -0.8550 | |
| 190 | G | A | 0.0000 | |
| 191 | I | A | 0.0000 | |
| 192 | V | A | -0.4327 | |
| 193 | N | A | -0.2869 | |
| 194 | V | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | T | A | -0.9346 | |
| 197 | R | A | -0.5819 | |
| 198 | F | A | -0.1891 | |
| 199 | A | A | -0.2684 | |
| 200 | D | A | -0.4495 | |
| 201 | S | A | -0.6525 | |
| 202 | E | A | -0.7832 | |
| 203 | H | A | -0.4480 | |
| 204 | L | A | 0.2279 | |
| 205 | A | A | -0.2288 | |
| 206 | D | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | N | A | -0.5401 | |
| 209 | D | A | -0.8653 | |
| 210 | R | A | 0.0000 | |
| 211 | V | A | 0.0000 | |
| 212 | N | A | -0.7323 | |
| 213 | R | A | -1.0732 | |
| 214 | Y | A | -1.1553 | |
| 215 | V | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | I | A | -1.8418 | |
| 218 | E | A | -2.3846 | |
| 219 | V | A | -1.2025 | |
| 220 | E | A | -1.8386 | |
| 221 | H | A | -1.2026 | |
| 222 | P | A | -0.6362 | |
| 223 | A | A | -0.3124 | |
| 224 | T | A | -0.4324 | |
| 225 | T | A | -0.7925 | |
| 226 | S | A | 0.0000 | |
| 227 | K | A | 0.0000 | |
| 228 | S | A | 0.0000 | |
| 229 | H | A | -0.0405 | |
| 230 | P | A | -0.0834 | |
| 1 | N | B | -2.4949 | |
| 2 | P | B | -2.3466 | |
| 3 | R | B | -2.5549 | |
| 4 | G | B | 0.0000 | |
| 5 | V | B | 0.0000 | |
| 6 | A | B | 0.0000 | |
| 7 | Y | B | 0.0000 | |
| 8 | I | B | 0.0000 | |
| 9 | I | B | 0.0000 | |
| 10 | N | B | 0.0000 | |
| 11 | N | B | 0.0000 | |
| 12 | K | B | -1.5932 | |
| 13 | N | B | -1.9973 | |
| 14 | F | B | -1.5653 | |
| 15 | A | B | -1.5192 | |
| 16 | R | B | -1.3549 | |
| 17 | F | B | 0.3159 | |
| 18 | S | B | -0.4553 | |
| 19 | G | B | -0.6234 | |
| 20 | M | B | -0.4971 | |
| 21 | P | B | -1.4713 | |
| 22 | K | B | -2.3741 | |
| 23 | R | B | 0.0000 | |
| 24 | N | B | -2.5781 | |
| 25 | G | B | -2.0473 | |
| 26 | T | B | 0.0000 | |
| 27 | D | B | -1.1886 | |
| 28 | V | B | -0.9035 | |
| 29 | D | B | 0.0000 | |
| 30 | A | B | 0.0000 | |
| 31 | R | B | -2.1593 | |
| 32 | A | B | -1.3239 | |
| 33 | L | B | 0.0000 | |
| 34 | N | B | -2.2175 | |
| 35 | K | B | -2.7527 | |
| 36 | L | B | 0.0000 | |
| 37 | W | B | 0.0000 | |
| 38 | T | B | -2.1006 | |
| 39 | D | B | -2.2838 | |
| 40 | F | B | -1.5544 | |
| 41 | G | B | -1.6981 | |
| 42 | F | B | 0.0000 | |
| 43 | K | B | -2.1321 | |
| 44 | T | B | -1.6855 | |
| 45 | K | B | -1.3065 | |
| 46 | T | B | -0.4758 | |
| 47 | F | B | 0.3147 | |
| 48 | T | B | -0.1747 | |
| 49 | D | B | -1.0111 | |
| 50 | V | B | 0.0000 | |
| 51 | S | B | -1.0666 | |
| 52 | G | B | -0.6780 | |
| 53 | Y | B | 0.0599 | |
| 54 | D | B | -0.9777 | |
| 55 | M | B | 0.0000 | |
| 56 | R | B | -1.5654 | |
| 57 | Q | B | -1.3702 | |
| 58 | N | B | -1.0803 | |
| 59 | L | B | 0.0000 | |
| 60 | R | B | -2.4216 | |
| 61 | S | B | -1.9011 | |
| 62 | L | B | 0.0000 | |
| 63 | A | B | 0.0000 | |
| 64 | K | B | -3.0330 | |
| 65 | Q | B | -3.1241 | |
| 66 | D | B | -3.3534 | |
| 67 | H | B | 0.0000 | |
| 68 | S | B | -2.4229 | |
| 69 | D | B | -3.0969 | |
| 70 | Y | B | -2.7707 | |
| 71 | D | B | -2.8958 | |
| 72 | C | B | 0.0000 | |
| 73 | V | B | 0.0000 | |
| 74 | I | B | 0.0000 | |
| 75 | V | B | 0.0000 | |
| 76 | S | B | 0.0000 | |
| 77 | I | B | 0.0000 | |
| 78 | L | B | 0.0000 | |
| 79 | T | B | 0.0000 | |
| 80 | H | B | 0.0000 | |
| 81 | G | B | 0.0000 | |
| 82 | V | B | -0.3112 | |
| 83 | E | B | -1.3061 | |
| 84 | G | B | -1.1828 | |
| 85 | K | B | -1.0883 | |
| 86 | L | B | 0.0000 | |
| 87 | Y | B | -0.3456 | |
| 88 | A | B | 0.0000 | |
| 89 | S | B | 0.0000 | |
| 90 | D | B | -2.1909 | |
| 91 | G | B | -1.4835 | |
| 92 | E | B | -1.5423 | |
| 93 | L | B | -0.5250 | |
| 94 | V | B | 0.0000 | |
| 95 | P | B | -1.0936 | |
| 96 | V | B | 0.0000 | |
| 97 | E | B | -2.0069 | |
| 98 | E | B | -2.3360 | |
| 99 | L | B | 0.0000 | |
| 100 | I | B | -1.0493 | |
| 101 | Q | B | -1.4086 | |
| 102 | L | B | -1.2025 | |
| 103 | F | B | 0.0000 | |
| 104 | N | B | 0.0000 | |
| 105 | A | B | -0.7878 | |
| 106 | G | B | -1.4449 | |
| 107 | E | B | -1.5523 | |
| 108 | V | B | -0.6710 | |
| 109 | H | B | 0.0000 | |
| 110 | K | B | -2.4396 | |
| 111 | S | B | -2.0798 | |
| 112 | L | B | 0.0000 | |
| 113 | I | B | -1.1296 | |
| 114 | G | B | -1.6264 | |
| 115 | K | B | -1.3613 | |
| 116 | P | B | -0.5055 | |
| 117 | R | B | 0.0000 | |
| 118 | L | B | 0.0000 | |
| 119 | F | B | 0.0000 | |
| 120 | F | B | 0.0000 | |
| 121 | L | B | 0.0000 | |
| 122 | Q | B | 0.0000 | |
| 123 | A | B | 0.0000 | |
| 124 | C | B | -0.0897 | |
| 125 | R | B | -0.5075 | |
| 126 | G | B | -0.4931 | |
| 127 | D | B | -0.7841 | |
| 128 | Y | B | 1.0224 | |
| 129 | F | B | 1.2203 | |
| 130 | D | B | 0.0000 | |
| 131 | K | B | -1.5332 | |
| 132 | G | B | -1.6310 | |
| 133 | V | B | -1.9664 | |
| 134 | D | B | -2.6238 | |
| 135 | Q | B | -2.0629 | |
| 136 | P | B | -2.0252 | |
| 137 | D | B | -2.2101 | |
| 138 | G | B | -1.7822 | |
| 139 | G | B | -1.1712 | |
| 140 | A | B | -0.5425 | |
| 141 | L | B | 0.7252 | |
| 142 | A | B | 0.6887 | |
| 143 | L | B | 0.9678 | |
| 144 | K | B | -0.7124 | |
| 145 | M | B | 0.3490 | |
| 146 | L | B | 0.7835 | |
| 147 | E | B | -1.0120 | |
| 148 | D | B | -1.5072 | |
| 149 | Y | B | 0.0414 | |
| 150 | D | B | -0.9247 | |
| 151 | F | B | 0.5104 | |
| 152 | T | B | -0.4643 | |
| 153 | D | B | -1.9467 | |
| 154 | G | B | -2.0946 | |
| 155 | K | B | -2.6443 | |
| 156 | L | B | -1.9030 | |
| 157 | Q | B | -2.3771 | |
| 158 | S | B | -2.2449 | |
| 159 | L | B | 0.0000 | |
| 160 | P | B | 0.0000 | |
| 161 | S | B | -0.6897 | |
| 162 | Q | B | 0.0000 | |
| 163 | A | B | 0.0000 | |
| 164 | D | B | -0.5037 | |
| 165 | M | B | 0.5106 | |
| 166 | F | B | 1.2454 | |
| 167 | I | B | 1.2738 | |
| 168 | G | B | 0.6058 | |
| 169 | Y | B | 0.4980 | |
| 170 | A | B | 0.0000 | |
| 171 | T | B | 0.0000 | |
| 172 | I | B | 0.2442 | |
| 173 | P | B | -0.2997 | |
| 174 | G | B | -0.1463 | |
| 175 | Y | B | 0.5159 | |
| 176 | V | B | 0.4949 | |
| 177 | S | B | 0.2281 | |
| 178 | W | B | -0.1308 | |
| 179 | R | B | -1.3713 | |
| 180 | N | B | -1.9296 | |
| 181 | S | B | -2.2286 | |
| 182 | E | B | -3.0854 | |
| 183 | R | B | -2.9560 | |
| 184 | G | B | 0.0000 | |
| 185 | A | B | 0.0000 | |
| 186 | W | B | 0.0000 | |
| 187 | F | B | 0.0000 | |
| 188 | V | B | 0.0000 | |
| 189 | Q | B | -0.5012 | |
| 190 | G | B | 0.0000 | |
| 191 | I | B | 0.0000 | |
| 192 | V | B | -0.5916 | |
| 193 | N | B | -0.8853 | |
| 194 | V | B | 0.0000 | |
| 195 | F | B | 0.0000 | |
| 196 | T | B | -1.6687 | |
| 197 | R | B | -2.4341 | |
| 198 | F | B | -1.6229 | |
| 199 | A | B | -1.4564 | |
| 200 | D | B | -2.1701 | |
| 201 | S | B | -1.3034 | |
| 202 | E | B | -1.1283 | |
| 203 | H | B | -0.8031 | |
| 204 | L | B | -0.0311 | |
| 205 | A | B | -0.2458 | |
| 206 | D | B | 0.0000 | |
| 207 | L | B | 0.0000 | |
| 208 | N | B | -0.4604 | |
| 209 | D | B | -0.5701 | |
| 210 | R | B | 0.0000 | |
| 211 | V | B | 0.0000 | |
| 212 | N | B | -0.5893 | |
| 213 | R | B | -1.0612 | |
| 214 | Y | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | A | B | 0.0000 | |
| 217 | I | B | 0.0000 | |
| 218 | E | B | -1.4251 | |
| 219 | V | B | 0.0000 | |
| 220 | E | B | -1.5529 | |
| 221 | H | B | -1.0766 | |
| 222 | P | B | -0.6031 | |
| 223 | A | B | -0.2984 | |
| 224 | T | B | -0.4453 | |
| 225 | T | B | -0.7922 | |
| 226 | S | B | 0.0000 | |
| 227 | K | B | 0.0000 | |
| 228 | S | B | 0.0000 | |
| 229 | H | B | -0.1407 | |
| 230 | P | B | -0.1233 |
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