| Chain sequence(s) |
A: MSSPTPNVYVISGASRGIGFAITSILAQRDNVLIFAGARDLKSTQLNELALKSGGKVVPVKLESTSVEDAAALAKVVEEKAGKVDYVLAVAGISQSTDPIAQVPLDDVRRHFEVNTIGPLVLFQSLLALLTKSSAPHFIVVSTIAGSIASMPQFLFPVSSYAISKTAVNSAVVRIAVEHPDLDAFVCHPGVVSSDMIKEYVAKTGTALSDFESMGMITPEESAASLVKLFDGAKKETHSGKFFNVDGTFLPW
B: MSSPTPNVYVISGASRGIGFAITSILAQRDNVLIFAGARDLKSTQLNELALKSGGKVVPVKLESTSVEDAAALAKVVEEKAGKVDYVLAVAGISQSTDPIAQVPLDDVRRHFEVNTIGPLVLFQSLLALLTKSSAPHFIVVSTIAGSIASMPQFLFPVSSYAISKTAVNSAVVRIAVEHPDLDAFVCHPGVVSSDMIKEYVAKTGTALSDFESMGMITPEESAASLVKLFDGAKKETHSGKFFNVDGTFLPW 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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:08)
[INFO] Main: Simulation completed successfully. (00:05:11)
|
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 | M | A | 0.8678 | |
| 2 | S | A | 0.1251 | |
| 3 | S | A | -0.2739 | |
| 4 | P | A | -0.7009 | |
| 5 | T | A | -0.5148 | |
| 6 | P | A | -1.1228 | |
| 7 | N | A | -1.0000 | |
| 8 | V | A | 0.0000 | |
| 9 | Y | A | 0.0000 | |
| 10 | V | A | 0.0000 | |
| 11 | I | A | 0.0000 | |
| 12 | S | A | 0.0000 | |
| 13 | G | A | -0.9659 | |
| 14 | A | A | 0.0000 | |
| 15 | S | A | -1.6216 | |
| 16 | R | A | -2.0484 | |
| 17 | G | A | -1.3023 | |
| 18 | I | A | 0.0000 | |
| 19 | G | A | 0.0000 | |
| 20 | F | A | -0.7030 | |
| 21 | A | A | 0.0000 | |
| 22 | I | A | 0.0000 | |
| 23 | T | A | 0.0000 | |
| 24 | S | A | -0.5276 | |
| 25 | I | A | -0.2326 | |
| 26 | L | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | Q | A | -2.2543 | |
| 29 | R | A | -2.5651 | |
| 30 | D | A | -2.9313 | |
| 31 | N | A | -2.0284 | |
| 32 | V | A | 0.0000 | |
| 33 | L | A | -0.8679 | |
| 34 | I | A | 0.0000 | |
| 35 | F | A | 0.0000 | |
| 36 | A | A | 0.0000 | |
| 37 | G | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | R | A | -2.8604 | |
| 40 | D | A | -2.2388 | |
| 41 | L | A | -1.5492 | |
| 42 | K | A | -2.0493 | |
| 43 | S | A | 0.0000 | |
| 44 | T | A | -1.3984 | |
| 45 | Q | A | -1.7016 | |
| 46 | L | A | 0.0000 | |
| 47 | N | A | -1.5529 | |
| 48 | E | A | -1.9652 | |
| 49 | L | A | 0.0000 | |
| 50 | A | A | -0.8110 | |
| 51 | L | A | -0.2174 | |
| 52 | K | A | -1.8553 | |
| 53 | S | A | 0.0000 | |
| 54 | G | A | -0.9570 | |
| 55 | G | A | -0.6776 | |
| 56 | K | A | -1.3139 | |
| 57 | V | A | 0.0000 | |
| 58 | V | A | -0.0700 | |
| 59 | P | A | -0.3738 | |
| 60 | V | A | -0.9335 | |
| 61 | K | A | -2.4362 | |
| 62 | L | A | 0.0000 | |
| 63 | E | A | -1.5906 | |
| 64 | S | A | -0.6321 | |
| 65 | T | A | -0.3860 | |
| 66 | S | A | -0.2414 | |
| 67 | V | A | 0.3590 | |
| 68 | E | A | -1.4162 | |
| 69 | D | A | -1.6155 | |
| 70 | A | A | 0.0000 | |
| 71 | A | A | -0.8167 | |
| 72 | A | A | -1.3791 | |
| 73 | L | A | 0.0000 | |
| 74 | A | A | -1.7977 | |
| 75 | K | A | -2.9733 | |
| 76 | V | A | -2.0161 | |
| 77 | V | A | 0.0000 | |
| 78 | E | A | -3.8675 | |
| 79 | E | A | -3.9143 | |
| 80 | K | A | -3.2826 | |
| 81 | A | A | -2.2127 | |
| 82 | G | A | -2.5427 | |
| 83 | K | A | -2.1321 | |
| 84 | V | A | 0.0000 | |
| 85 | D | A | -0.8327 | |
| 86 | Y | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | V | A | 0.1585 | |
| 91 | A | A | -0.5055 | |
| 92 | G | A | -0.2747 | |
| 93 | I | A | -0.3230 | |
| 94 | S | A | -0.5007 | |
| 95 | Q | A | -1.7778 | |
| 96 | S | A | 0.0000 | |
| 97 | T | A | -0.7946 | |
| 98 | D | A | -0.9139 | |
| 99 | P | A | -0.5119 | |
| 100 | I | A | 0.0000 | |
| 101 | A | A | -0.8450 | |
| 102 | Q | A | -1.3755 | |
| 103 | V | A | 0.0000 | |
| 104 | P | A | -1.4716 | |
| 105 | L | A | -1.3591 | |
| 106 | D | A | -2.9638 | |
| 107 | D | A | -2.7632 | |
| 108 | V | A | 0.0000 | |
| 109 | R | A | -3.2144 | |
| 110 | R | A | -3.1616 | |
| 111 | H | A | 0.0000 | |
| 112 | F | A | 0.0000 | |
| 113 | E | A | -1.3753 | |
| 114 | V | A | 0.0000 | |
| 115 | N | A | 0.0000 | |
| 116 | T | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | G | A | 0.0000 | |
| 119 | P | A | 0.0000 | |
| 120 | L | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | F | A | 0.0000 | |
| 124 | Q | A | -0.3722 | |
| 125 | S | A | -0.3907 | |
| 126 | L | A | 0.0000 | |
| 127 | L | A | -0.1720 | |
| 128 | A | A | -0.5696 | |
| 129 | L | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | T | A | -1.2790 | |
| 132 | K | A | -1.9907 | |
| 133 | S | A | -1.4629 | |
| 134 | S | A | -0.9207 | |
| 135 | A | A | -0.9928 | |
| 136 | P | A | 0.0000 | |
| 137 | H | A | 0.0000 | |
| 138 | F | A | 0.0000 | |
| 139 | I | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | S | A | 0.0000 | |
| 143 | T | A | 0.0669 | |
| 144 | I | A | 0.1144 | |
| 145 | A | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | S | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | A | A | -0.2185 | |
| 150 | S | A | -0.2987 | |
| 151 | M | A | 0.0000 | |
| 152 | P | A | -0.3791 | |
| 153 | Q | A | -0.7253 | |
| 154 | F | A | 0.5434 | |
| 155 | L | A | 1.5300 | |
| 156 | F | A | 0.7446 | |
| 157 | P | A | 0.4227 | |
| 158 | V | A | 0.2777 | |
| 159 | S | A | 0.0000 | |
| 160 | S | A | 0.0000 | |
| 161 | Y | A | -0.4043 | |
| 162 | A | A | 0.0000 | |
| 163 | I | A | 0.0000 | |
| 164 | S | A | 0.0000 | |
| 165 | K | A | 0.0000 | |
| 166 | T | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | N | A | 0.0000 | |
| 170 | S | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | V | A | 0.0000 | |
| 173 | V | A | 0.0000 | |
| 174 | R | A | 0.0000 | |
| 175 | I | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | V | A | 0.0218 | |
| 178 | E | A | -0.4438 | |
| 179 | H | A | -0.9543 | |
| 180 | P | A | -1.4809 | |
| 181 | D | A | -2.0706 | |
| 182 | L | A | 0.0000 | |
| 183 | D | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | F | A | 0.0000 | |
| 186 | V | A | 0.0000 | |
| 187 | C | A | 0.0000 | |
| 188 | H | A | -0.3025 | |
| 189 | P | A | 0.0000 | |
| 190 | G | A | -0.2763 | |
| 191 | V | A | 0.1148 | |
| 192 | V | A | 0.0000 | |
| 193 | S | A | -0.3729 | |
| 194 | S | A | 0.0000 | |
| 195 | D | A | -1.8443 | |
| 196 | M | A | -0.8099 | |
| 197 | I | A | -0.8914 | |
| 198 | K | A | -2.0495 | |
| 199 | E | A | -2.8128 | |
| 200 | Y | A | -1.5951 | |
| 201 | V | A | -1.0725 | |
| 202 | A | A | -1.4790 | |
| 203 | K | A | -2.4056 | |
| 204 | T | A | -1.1961 | |
| 205 | G | A | -0.6987 | |
| 206 | T | A | -0.5048 | |
| 207 | A | A | -0.4011 | |
| 208 | L | A | -0.5582 | |
| 209 | S | A | -1.2255 | |
| 210 | D | A | -1.7240 | |
| 211 | F | A | 0.0000 | |
| 212 | E | A | -1.9998 | |
| 213 | S | A | -1.2940 | |
| 214 | M | A | -0.4999 | |
| 215 | G | A | -0.5744 | |
| 216 | M | A | -0.6147 | |
| 217 | I | A | -0.5124 | |
| 218 | T | A | -0.8745 | |
| 219 | P | A | -1.5453 | |
| 220 | E | A | -2.3002 | |
| 221 | E | A | -2.0826 | |
| 222 | S | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | A | A | -1.4357 | |
| 225 | S | A | -1.8858 | |
| 226 | L | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | K | A | -2.4807 | |
| 229 | L | A | 0.0000 | |
| 230 | F | A | 0.0000 | |
| 231 | D | A | -2.1069 | |
| 232 | G | A | -1.6462 | |
| 233 | A | A | 0.0000 | |
| 234 | K | A | -2.4983 | |
| 235 | K | A | -2.4046 | |
| 236 | E | A | -2.5573 | |
| 237 | T | A | -1.6845 | |
| 238 | H | A | -1.1832 | |
| 239 | S | A | -1.3305 | |
| 240 | G | A | -0.5664 | |
| 241 | K | A | -0.3469 | |
| 242 | F | A | 0.0000 | |
| 243 | F | A | 0.0000 | |
| 244 | N | A | -0.4033 | |
| 245 | V | A | -1.0947 | |
| 246 | D | A | -1.9908 | |
| 247 | G | A | -0.9654 | |
| 248 | T | A | 0.2254 | |
| 249 | F | A | 1.4851 | |
| 250 | L | A | 0.8379 | |
| 251 | P | A | 0.3831 | |
| 252 | W | A | 0.0687 | |
| 1 | M | B | 0.8661 | |
| 2 | S | B | 0.1251 | |
| 3 | S | B | -0.2407 | |
| 4 | P | B | -0.6826 | |
| 5 | T | B | -0.5492 | |
| 6 | P | B | -1.1307 | |
| 7 | N | B | -1.2753 | |
| 8 | V | B | 0.0000 | |
| 9 | Y | B | 0.0000 | |
| 10 | V | B | 0.0000 | |
| 11 | I | B | 0.0000 | |
| 12 | S | B | 0.0000 | |
| 13 | G | B | -0.9097 | |
| 14 | A | B | 0.0000 | |
| 15 | S | B | -1.4872 | |
| 16 | R | B | -2.0117 | |
| 17 | G | B | -1.2608 | |
| 18 | I | B | -0.9049 | |
| 19 | G | B | 0.0000 | |
| 20 | F | B | -0.6166 | |
| 21 | A | B | 0.0000 | |
| 22 | I | B | 0.0000 | |
| 23 | T | B | 0.0000 | |
| 24 | S | B | -0.4692 | |
| 25 | I | B | -0.1668 | |
| 26 | L | B | 0.0000 | |
| 27 | A | B | 0.0000 | |
| 28 | Q | B | -2.1722 | |
| 29 | R | B | -2.2928 | |
| 30 | D | B | -2.7591 | |
| 31 | N | B | -1.8808 | |
| 32 | V | B | 0.0000 | |
| 33 | L | B | -0.7781 | |
| 34 | I | B | 0.0000 | |
| 35 | F | B | 0.0000 | |
| 36 | A | B | 0.0000 | |
| 37 | G | B | 0.0000 | |
| 38 | A | B | 0.0000 | |
| 39 | R | B | -3.2010 | |
| 40 | D | B | -2.0935 | |
| 41 | L | B | -1.2234 | |
| 42 | K | B | -1.8967 | |
| 43 | S | B | -1.7734 | |
| 44 | T | B | -1.3029 | |
| 45 | Q | B | -1.7248 | |
| 46 | L | B | 0.0000 | |
| 47 | N | B | -1.4150 | |
| 48 | E | B | -1.8182 | |
| 49 | L | B | 0.0000 | |
| 50 | A | B | -0.7011 | |
| 51 | L | B | -0.1427 | |
| 52 | K | B | -1.8280 | |
| 53 | S | B | 0.0000 | |
| 54 | G | B | -0.8860 | |
| 55 | G | B | -0.5709 | |
| 56 | K | B | -1.2134 | |
| 57 | V | B | 0.0000 | |
| 58 | V | B | 0.3937 | |
| 59 | P | B | -0.2156 | |
| 60 | V | B | -0.8264 | |
| 61 | K | B | -2.5085 | |
| 62 | L | B | 0.0000 | |
| 63 | E | B | -2.8470 | |
| 64 | S | B | -1.4223 | |
| 65 | T | B | -0.8968 | |
| 66 | S | B | -1.0922 | |
| 67 | V | B | -0.1026 | |
| 68 | E | B | -1.6242 | |
| 69 | D | B | -1.7799 | |
| 70 | A | B | 0.0000 | |
| 71 | A | B | -0.7340 | |
| 72 | A | B | -1.1696 | |
| 73 | L | B | 0.0000 | |
| 74 | A | B | -1.5767 | |
| 75 | K | B | -2.6732 | |
| 76 | V | B | -1.5959 | |
| 77 | V | B | 0.0000 | |
| 78 | E | B | -3.7448 | |
| 79 | E | B | -3.8005 | |
| 80 | K | B | -3.2593 | |
| 81 | A | B | -2.0231 | |
| 82 | G | B | -2.5740 | |
| 83 | K | B | -2.1790 | |
| 84 | V | B | 0.0000 | |
| 85 | D | B | -0.8832 | |
| 86 | Y | B | 0.0000 | |
| 87 | V | B | 0.0000 | |
| 88 | L | B | 0.0000 | |
| 89 | A | B | 0.0000 | |
| 90 | V | B | 0.0515 | |
| 91 | A | B | -0.5837 | |
| 92 | G | B | -0.0731 | |
| 93 | I | B | 0.0145 | |
| 94 | S | B | -0.1838 | |
| 95 | Q | B | -1.1407 | |
| 96 | S | B | 0.0000 | |
| 97 | T | B | -0.8930 | |
| 98 | D | B | -1.1956 | |
| 99 | P | B | -0.8059 | |
| 100 | I | B | 0.0000 | |
| 101 | A | B | -0.8823 | |
| 102 | Q | B | -1.4743 | |
| 103 | V | B | 0.0000 | |
| 104 | P | B | -1.2461 | |
| 105 | L | B | -1.2902 | |
| 106 | D | B | -2.6149 | |
| 107 | D | B | -2.1805 | |
| 108 | V | B | 0.0000 | |
| 109 | R | B | -2.4575 | |
| 110 | R | B | -2.5822 | |
| 111 | H | B | 0.0000 | |
| 112 | F | B | 0.0000 | |
| 113 | E | B | -1.1593 | |
| 114 | V | B | -0.6068 | |
| 115 | N | B | 0.0000 | |
| 116 | T | B | 0.0000 | |
| 117 | I | B | 0.0000 | |
| 118 | G | B | 0.0000 | |
| 119 | P | B | 0.0000 | |
| 120 | L | B | 0.0000 | |
| 121 | V | B | 0.0000 | |
| 122 | L | B | 0.0000 | |
| 123 | F | B | 0.0000 | |
| 124 | Q | B | -0.4184 | |
| 125 | S | B | -0.3916 | |
| 126 | L | B | 0.0000 | |
| 127 | L | B | -0.2075 | |
| 128 | A | B | -0.5839 | |
| 129 | L | B | 0.0000 | |
| 130 | L | B | 0.0000 | |
| 131 | T | B | -1.2794 | |
| 132 | K | B | -1.9674 | |
| 133 | S | B | -1.2730 | |
| 134 | S | B | -0.8959 | |
| 135 | A | B | -0.9671 | |
| 136 | P | B | 0.0000 | |
| 137 | H | B | 0.0000 | |
| 138 | F | B | 0.0000 | |
| 139 | I | B | 0.0000 | |
| 140 | V | B | 0.0000 | |
| 141 | V | B | 0.1979 | |
| 142 | S | B | 0.0000 | |
| 143 | T | B | 0.0000 | |
| 144 | I | B | 0.2942 | |
| 145 | A | B | 0.1048 | |
| 146 | G | B | 0.0000 | |
| 147 | S | B | 0.0000 | |
| 148 | I | B | 0.0000 | |
| 149 | A | B | -0.1818 | |
| 150 | S | B | 0.0000 | |
| 151 | M | B | 0.0000 | |
| 152 | P | B | -0.3648 | |
| 153 | Q | B | -0.6939 | |
| 154 | F | B | 0.5614 | |
| 155 | L | B | 1.4551 | |
| 156 | F | B | 0.8603 | |
| 157 | P | B | 0.3300 | |
| 158 | V | B | 0.2969 | |
| 159 | S | B | 0.0000 | |
| 160 | S | B | 0.0000 | |
| 161 | Y | B | -0.0768 | |
| 162 | A | B | 0.0000 | |
| 163 | I | B | 0.0000 | |
| 164 | S | B | 0.0000 | |
| 165 | K | B | 0.0000 | |
| 166 | T | B | 0.0000 | |
| 167 | A | B | 0.0000 | |
| 168 | V | B | 0.0000 | |
| 169 | N | B | 0.0000 | |
| 170 | S | B | 0.0000 | |
| 171 | A | B | 0.0000 | |
| 172 | V | B | 0.0000 | |
| 173 | V | B | 0.0000 | |
| 174 | R | B | 0.0000 | |
| 175 | I | B | 0.0000 | |
| 176 | A | B | -0.5769 | |
| 177 | V | B | -0.0062 | |
| 178 | E | B | -0.2647 | |
| 179 | H | B | -0.8645 | |
| 180 | P | B | -1.4319 | |
| 181 | D | B | -2.3371 | |
| 182 | L | B | 0.0000 | |
| 183 | D | B | 0.0000 | |
| 184 | A | B | 0.0000 | |
| 185 | F | B | 0.0000 | |
| 186 | V | B | 0.0000 | |
| 187 | C | B | 0.0000 | |
| 188 | H | B | -0.1838 | |
| 189 | P | B | 0.0000 | |
| 190 | G | B | -0.1385 | |
| 191 | V | B | 0.2842 | |
| 192 | V | B | 0.0000 | |
| 193 | S | B | -0.6793 | |
| 194 | S | B | -1.3974 | |
| 195 | D | B | -2.3295 | |
| 196 | M | B | -1.1878 | |
| 197 | I | B | 0.0000 | |
| 198 | K | B | -2.7048 | |
| 199 | E | B | -3.0027 | |
| 200 | Y | B | 0.0000 | |
| 201 | V | B | -1.1343 | |
| 202 | A | B | -1.4744 | |
| 203 | K | B | -1.9687 | |
| 204 | T | B | -0.9514 | |
| 205 | G | B | -0.5219 | |
| 206 | T | B | -0.3609 | |
| 207 | A | B | -0.3778 | |
| 208 | L | B | -0.6134 | |
| 209 | S | B | -1.2390 | |
| 210 | D | B | -1.7108 | |
| 211 | F | B | 0.0000 | |
| 212 | E | B | -1.9417 | |
| 213 | S | B | -1.1682 | |
| 214 | M | B | -0.2484 | |
| 215 | G | B | -0.6314 | |
| 216 | M | B | -0.4924 | |
| 217 | I | B | -0.5225 | |
| 218 | T | B | -0.9408 | |
| 219 | P | B | -1.5797 | |
| 220 | E | B | -2.4362 | |
| 221 | E | B | -2.4303 | |
| 222 | S | B | 0.0000 | |
| 223 | A | B | 0.0000 | |
| 224 | A | B | -1.3542 | |
| 225 | S | B | -1.9563 | |
| 226 | L | B | 0.0000 | |
| 227 | V | B | 0.0000 | |
| 228 | K | B | -2.6092 | |
| 229 | L | B | 0.0000 | |
| 230 | F | B | 0.0000 | |
| 231 | D | B | -2.5798 | |
| 232 | G | B | -1.6595 | |
| 233 | A | B | -1.7894 | |
| 234 | K | B | -2.3750 | |
| 235 | K | B | -2.7203 | |
| 236 | E | B | -2.8628 | |
| 237 | T | B | -1.6655 | |
| 238 | H | B | 0.0000 | |
| 239 | S | B | -1.4229 | |
| 240 | G | B | -0.5016 | |
| 241 | K | B | -0.2739 | |
| 242 | F | B | 0.0000 | |
| 243 | F | B | 0.0000 | |
| 244 | N | B | -0.2714 | |
| 245 | V | B | -0.9123 | |
| 246 | D | B | -1.8846 | |
| 247 | G | B | -0.8113 | |
| 248 | T | B | 0.3066 | |
| 249 | F | B | 1.5593 | |
| 250 | L | B | 0.9465 | |
| 251 | P | B | 0.4039 | |
| 252 | W | B | 0.3102 |
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