| Chain sequence(s) |
A: KVIESRAAVAWEAKAPLVIETIQVDPPKEGEVRVHILATGVCHTDAHTLGGFDSEGMFPCILGHEGGGIVESVGPGVTSVQPGDHVIPLYIPQCRECKFCKSPKTNLCSRVRATQGRGVMPDGTVRFHCKGKDIYHFMGTSTFSEYTVVAEVSLAKVSQEAPLEKVCLLGCGISTGYGAALNTAKVEPNSSVAVWGLGAVGLAVLMGAKRAGATKIIGVDINPDKCAIAKSFG
B: KVIESRAAVAWEAKAPLVIETIQVDPPKEGEVRVHILATGVCHTDAHTLGGFDSEGMFPCILGHEGGGIVESVGPGVTSVQPGDHVIPLYIPQCRECKFCKSPKTNLCSRVRATQGRGVMPDGTVRFHCKGKDIYHFMGTSTFSEYTVVAEVSLAKVSQEAPLEKVCLLGCGISTGYGAALNTAKVEPNSSVAVWGLGAVGLAVLMGAKRAGATKIIGVDINPDKCAIAKSFG 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 (00:05:07)
[INFO] Main: Simulation completed successfully. (00:05:10)
|
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 | |
| 4 | K | A | -1.4767 | |
| 5 | V | A | -0.4127 | |
| 6 | I | A | -1.0889 | |
| 7 | E | A | -2.3266 | |
| 8 | S | A | 0.0000 | |
| 9 | R | A | -1.9800 | |
| 10 | A | A | 0.0000 | |
| 11 | A | A | 0.7685 | |
| 12 | V | A | 0.0000 | |
| 13 | A | A | 0.0000 | |
| 14 | W | A | -0.3388 | |
| 15 | E | A | -1.6962 | |
| 16 | A | A | -1.4081 | |
| 17 | K | A | -1.9157 | |
| 18 | A | A | -1.0608 | |
| 19 | P | A | -0.1045 | |
| 20 | L | A | 0.9005 | |
| 21 | V | A | 2.0191 | |
| 22 | I | A | 2.0127 | |
| 23 | E | A | 0.2644 | |
| 24 | T | A | -1.1334 | |
| 25 | I | A | 0.0000 | |
| 26 | Q | A | -1.7334 | |
| 27 | V | A | 0.0000 | |
| 28 | D | A | -0.7803 | |
| 29 | P | A | -0.9190 | |
| 30 | P | A | -1.2574 | |
| 31 | K | A | -2.3114 | |
| 32 | E | A | -2.8699 | |
| 33 | G | A | -1.5891 | |
| 34 | E | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | R | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | H | A | -0.1134 | |
| 39 | I | A | 0.5667 | |
| 40 | L | A | 0.8652 | |
| 41 | A | A | -0.3013 | |
| 42 | T | A | 0.1023 | |
| 43 | G | A | 0.4618 | |
| 44 | V | A | 1.5827 | |
| 45 | C | A | 0.0000 | |
| 46 | H | A | -0.7778 | |
| 47 | T | A | -0.6497 | |
| 48 | D | A | 0.0000 | |
| 49 | A | A | -0.3803 | |
| 50 | H | A | -1.2296 | |
| 51 | T | A | 0.0000 | |
| 52 | L | A | -0.7390 | |
| 53 | G | A | -0.8740 | |
| 54 | G | A | -0.7712 | |
| 55 | F | A | 0.5416 | |
| 56 | D | A | -1.1350 | |
| 57 | S | A | -1.2055 | |
| 58 | E | A | -2.3187 | |
| 59 | G | A | -1.4883 | |
| 60 | M | A | -0.7348 | |
| 61 | F | A | -0.1851 | |
| 62 | P | A | -0.4292 | |
| 63 | C | A | 0.0000 | |
| 64 | I | A | 0.0000 | |
| 65 | L | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | H | A | 0.0000 | |
| 68 | E | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | G | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | I | A | -0.1912 | |
| 73 | V | A | 0.0000 | |
| 74 | E | A | -0.7371 | |
| 75 | S | A | -0.7039 | |
| 76 | V | A | -0.8206 | |
| 77 | G | A | -1.4334 | |
| 78 | P | A | -1.4423 | |
| 79 | G | A | -1.2103 | |
| 80 | V | A | -0.9765 | |
| 81 | T | A | -0.5444 | |
| 82 | S | A | -0.8029 | |
| 83 | V | A | 0.0000 | |
| 84 | Q | A | -1.4524 | |
| 85 | P | A | -1.1103 | |
| 86 | G | A | -1.1582 | |
| 87 | D | A | -1.4300 | |
| 88 | H | A | -1.4511 | |
| 89 | V | A | 0.0000 | |
| 90 | I | A | 0.0000 | |
| 91 | P | A | 0.0000 | |
| 92 | L | A | 0.6264 | |
| 93 | Y | A | 0.5220 | |
| 94 | I | A | 0.5341 | |
| 95 | P | A | 0.0000 | |
| 96 | Q | A | -1.4636 | |
| 97 | C | A | -2.0045 | |
| 98 | R | A | -3.5641 | |
| 99 | E | A | -3.6164 | |
| 100 | C | A | -2.6149 | |
| 101 | K | A | -2.6261 | |
| 102 | F | A | -1.7262 | |
| 103 | C | A | -2.6898 | |
| 104 | K | A | -3.3274 | |
| 105 | S | A | -2.1466 | |
| 106 | P | A | -1.7624 | |
| 107 | K | A | -2.2479 | |
| 108 | T | A | -1.6506 | |
| 109 | N | A | -1.4640 | |
| 110 | L | A | -0.4352 | |
| 111 | C | A | 0.0000 | |
| 112 | S | A | -1.6225 | |
| 113 | R | A | -2.9029 | |
| 114 | V | A | 0.0000 | |
| 115 | R | A | -2.5362 | |
| 116 | A | A | -1.7326 | |
| 117 | T | A | -1.9134 | |
| 118 | Q | A | -1.4779 | |
| 119 | G | A | -1.8022 | |
| 120 | R | A | -2.3129 | |
| 121 | G | A | 0.0000 | |
| 122 | V | A | -0.7241 | |
| 123 | M | A | 0.0000 | |
| 124 | P | A | -1.9199 | |
| 125 | D | A | -2.3447 | |
| 126 | G | A | -1.5525 | |
| 127 | T | A | -1.0039 | |
| 128 | V | A | -0.6439 | |
| 129 | R | A | 0.0000 | |
| 130 | F | A | 0.0000 | |
| 131 | H | A | -2.1533 | |
| 132 | C | A | 0.0000 | |
| 133 | K | A | -2.7438 | |
| 134 | G | A | -2.4106 | |
| 135 | K | A | -2.9342 | |
| 136 | D | A | -2.7132 | |
| 137 | I | A | 0.0000 | |
| 138 | Y | A | -0.1133 | |
| 139 | H | A | 0.0000 | |
| 140 | F | A | 0.1857 | |
| 141 | M | A | 0.0149 | |
| 142 | G | A | -0.1147 | |
| 143 | T | A | 0.0000 | |
| 144 | S | A | 0.0000 | |
| 145 | T | A | 0.0000 | |
| 146 | F | A | 0.3645 | |
| 147 | S | A | 0.0000 | |
| 148 | E | A | -1.0045 | |
| 149 | Y | A | -0.5967 | |
| 150 | T | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | V | A | 0.0000 | |
| 153 | A | A | 0.0000 | |
| 154 | E | A | -0.9308 | |
| 155 | V | A | -0.6261 | |
| 156 | S | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | A | A | -0.8002 | |
| 159 | K | A | -1.7622 | |
| 160 | V | A | -1.0793 | |
| 161 | S | A | -1.5942 | |
| 162 | Q | A | -2.4265 | |
| 163 | E | A | -2.4700 | |
| 164 | A | A | -1.8155 | |
| 165 | P | A | -1.7301 | |
| 166 | L | A | 0.0000 | |
| 167 | E | A | -2.3325 | |
| 168 | K | A | -2.3458 | |
| 169 | V | A | -0.7192 | |
| 170 | C | A | 0.0000 | |
| 171 | L | A | 0.3239 | |
| 172 | L | A | 0.7000 | |
| 173 | G | A | 0.0000 | |
| 174 | C | A | 0.0000 | |
| 175 | G | A | 0.0000 | |
| 176 | I | A | 1.0625 | |
| 177 | S | A | 0.5719 | |
| 178 | T | A | 0.2741 | |
| 179 | G | A | 0.0000 | |
| 180 | Y | A | 0.2286 | |
| 181 | G | A | -0.3445 | |
| 182 | A | A | -0.2305 | |
| 183 | A | A | 0.0000 | |
| 184 | L | A | -1.1196 | |
| 185 | N | A | -1.7330 | |
| 186 | T | A | -1.1662 | |
| 187 | A | A | -1.1507 | |
| 188 | K | A | -2.2395 | |
| 189 | V | A | -1.9191 | |
| 190 | E | A | -2.5593 | |
| 191 | P | A | -2.4875 | |
| 192 | N | A | -2.4400 | |
| 193 | S | A | -1.8065 | |
| 194 | S | A | -0.9784 | |
| 195 | V | A | -0.1206 | |
| 196 | A | A | 0.8557 | |
| 197 | V | A | 0.0000 | |
| 198 | W | A | 1.7192 | |
| 199 | G | A | 0.6549 | |
| 200 | L | A | 0.0000 | |
| 201 | G | A | 0.0747 | |
| 202 | A | A | 0.3561 | |
| 203 | V | A | 0.8407 | |
| 204 | G | A | 0.0000 | |
| 205 | L | A | 0.7574 | |
| 206 | A | A | 0.0000 | |
| 207 | V | A | 0.6103 | |
| 208 | L | A | 0.0000 | |
| 209 | M | A | -0.2907 | |
| 210 | G | A | 0.0000 | |
| 211 | A | A | 0.0000 | |
| 212 | K | A | -2.7492 | |
| 213 | R | A | -2.5546 | |
| 214 | A | A | -2.3531 | |
| 215 | G | A | -2.4715 | |
| 216 | A | A | 0.0000 | |
| 217 | T | A | -1.9638 | |
| 218 | K | A | -1.7364 | |
| 219 | I | A | -0.3397 | |
| 220 | I | A | 1.1043 | |
| 221 | G | A | 0.5845 | |
| 222 | V | A | 1.3281 | |
| 223 | D | A | 0.5921 | |
| 224 | I | A | 1.2831 | |
| 225 | N | A | -0.8086 | |
| 226 | P | A | -1.1408 | |
| 227 | D | A | -2.0209 | |
| 228 | K | A | -1.3525 | |
| 229 | C | A | -0.6845 | |
| 230 | A | A | -0.4131 | |
| 231 | I | A | 0.3208 | |
| 232 | A | A | 0.0000 | |
| 233 | K | A | -1.0442 | |
| 234 | S | A | -0.1632 | |
| 235 | F | A | 0.3287 | |
| 236 | G | A | -0.8981 | |
| 4 | K | B | -1.6414 | |
| 5 | V | B | -0.7582 | |
| 6 | I | B | -1.1753 | |
| 7 | E | B | -2.3587 | |
| 8 | S | B | 0.0000 | |
| 9 | R | B | -1.8281 | |
| 10 | A | B | 0.0000 | |
| 11 | A | B | 0.7965 | |
| 12 | V | B | 0.0000 | |
| 13 | A | B | 0.0000 | |
| 14 | W | B | -0.4581 | |
| 15 | E | B | -1.9454 | |
| 16 | A | B | -1.4884 | |
| 17 | K | B | -2.0147 | |
| 18 | A | B | -1.1793 | |
| 19 | P | B | -0.1806 | |
| 20 | L | B | 0.8571 | |
| 21 | V | B | 1.7800 | |
| 22 | I | B | 1.9730 | |
| 23 | E | B | 0.2259 | |
| 24 | T | B | -1.1420 | |
| 25 | I | B | 0.0000 | |
| 26 | Q | B | -1.8120 | |
| 27 | V | B | 0.0000 | |
| 28 | D | B | -0.9415 | |
| 29 | P | B | -0.8496 | |
| 30 | P | B | -1.3029 | |
| 31 | K | B | -2.3150 | |
| 32 | E | B | -2.8388 | |
| 33 | G | B | -1.7632 | |
| 34 | E | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | R | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | H | B | -0.1824 | |
| 39 | I | B | 0.0000 | |
| 40 | L | B | 0.6529 | |
| 41 | A | B | -0.3969 | |
| 42 | T | B | 0.0804 | |
| 43 | G | B | 0.4870 | |
| 44 | V | B | 1.6415 | |
| 45 | C | B | 0.0000 | |
| 46 | H | B | -0.5931 | |
| 47 | T | B | -0.5343 | |
| 48 | D | B | 0.0000 | |
| 49 | A | B | -0.4469 | |
| 50 | H | B | -1.1055 | |
| 51 | T | B | 0.0000 | |
| 52 | L | B | -0.7310 | |
| 53 | G | B | -0.9263 | |
| 54 | G | B | -0.7556 | |
| 55 | F | B | 0.6466 | |
| 56 | D | B | -0.8301 | |
| 57 | S | B | -0.9978 | |
| 58 | E | B | -2.2598 | |
| 59 | G | B | -1.3725 | |
| 60 | M | B | -0.6708 | |
| 61 | F | B | -0.0646 | |
| 62 | P | B | -0.5535 | |
| 63 | C | B | 0.0000 | |
| 64 | I | B | 0.0000 | |
| 65 | L | B | 0.0000 | |
| 66 | G | B | 0.0000 | |
| 67 | H | B | 0.0000 | |
| 68 | E | B | 0.0000 | |
| 69 | G | B | 0.0000 | |
| 70 | G | B | 0.0000 | |
| 71 | G | B | 0.0000 | |
| 72 | I | B | -0.2829 | |
| 73 | V | B | 0.0000 | |
| 74 | E | B | -0.7808 | |
| 75 | S | B | -0.7073 | |
| 76 | V | B | -0.8081 | |
| 77 | G | B | 0.0000 | |
| 78 | P | B | -1.2997 | |
| 79 | G | B | -1.2169 | |
| 80 | V | B | -0.9670 | |
| 81 | T | B | -0.5382 | |
| 82 | S | B | -0.7881 | |
| 83 | V | B | 0.0000 | |
| 84 | Q | B | -1.4616 | |
| 85 | P | B | -1.1286 | |
| 86 | G | B | -1.1871 | |
| 87 | D | B | -1.4405 | |
| 88 | H | B | -1.4121 | |
| 89 | V | B | 0.0000 | |
| 90 | I | B | 0.0000 | |
| 91 | P | B | 0.0000 | |
| 92 | L | B | 0.6657 | |
| 93 | Y | B | 0.6641 | |
| 94 | I | B | 0.7804 | |
| 95 | P | B | 0.0000 | |
| 96 | Q | B | -1.3400 | |
| 97 | C | B | -2.1704 | |
| 98 | R | B | -3.5681 | |
| 99 | E | B | -3.5957 | |
| 100 | C | B | -2.5039 | |
| 101 | K | B | -2.5228 | |
| 102 | F | B | -1.4148 | |
| 103 | C | B | -2.5189 | |
| 104 | K | B | -3.3046 | |
| 105 | S | B | -2.0242 | |
| 106 | P | B | -1.7319 | |
| 107 | K | B | -2.1532 | |
| 108 | T | B | -1.3229 | |
| 109 | N | B | -1.1991 | |
| 110 | L | B | 0.3103 | |
| 111 | C | B | 0.0000 | |
| 112 | S | B | -1.0107 | |
| 113 | R | B | -2.2272 | |
| 114 | V | B | 0.0000 | |
| 115 | R | B | -0.9516 | |
| 116 | A | B | -1.0031 | |
| 117 | T | B | -1.4472 | |
| 118 | Q | B | -0.9680 | |
| 119 | G | B | -1.4963 | |
| 120 | R | B | -2.1456 | |
| 121 | G | B | 0.0000 | |
| 122 | V | B | -0.7760 | |
| 123 | M | B | 0.0000 | |
| 124 | P | B | -1.7251 | |
| 125 | D | B | -2.3871 | |
| 126 | G | B | -1.5469 | |
| 127 | T | B | -1.0191 | |
| 128 | V | B | -0.6864 | |
| 129 | R | B | 0.0000 | |
| 130 | F | B | 0.0000 | |
| 131 | H | B | -2.1963 | |
| 132 | C | B | 0.0000 | |
| 133 | K | B | -2.7344 | |
| 134 | G | B | -2.4145 | |
| 135 | K | B | -2.9620 | |
| 136 | D | B | -2.7366 | |
| 137 | I | B | 0.0000 | |
| 138 | Y | B | -0.1991 | |
| 139 | H | B | 0.0000 | |
| 140 | F | B | 0.1980 | |
| 141 | M | B | 0.1853 | |
| 142 | G | B | 0.0597 | |
| 143 | T | B | 0.0000 | |
| 144 | S | B | 0.0000 | |
| 145 | T | B | 0.0000 | |
| 146 | F | B | 0.3852 | |
| 147 | S | B | 0.0000 | |
| 148 | E | B | -0.9338 | |
| 149 | Y | B | -0.5838 | |
| 150 | T | B | 0.0000 | |
| 151 | V | B | 0.0000 | |
| 152 | V | B | 0.0000 | |
| 153 | A | B | 0.0000 | |
| 154 | E | B | -0.9043 | |
| 155 | V | B | 0.0000 | |
| 156 | S | B | 0.0000 | |
| 157 | L | B | -0.2016 | |
| 158 | A | B | -0.6119 | |
| 159 | K | B | -1.5138 | |
| 160 | V | B | -0.9509 | |
| 161 | S | B | -1.5382 | |
| 162 | Q | B | -2.4010 | |
| 163 | E | B | -2.4646 | |
| 164 | A | B | -1.7918 | |
| 165 | P | B | -1.7594 | |
| 166 | L | B | 0.0000 | |
| 167 | E | B | -2.3324 | |
| 168 | K | B | -2.2477 | |
| 169 | V | B | -0.5379 | |
| 170 | C | B | 0.0000 | |
| 171 | L | B | 0.5778 | |
| 172 | L | B | 1.0404 | |
| 173 | G | B | 0.0000 | |
| 174 | C | B | 0.0000 | |
| 175 | G | B | 0.0000 | |
| 176 | I | B | 1.1096 | |
| 177 | S | B | 0.6336 | |
| 178 | T | B | 0.2744 | |
| 179 | G | B | 0.0000 | |
| 180 | Y | B | 0.2318 | |
| 181 | G | B | -0.3960 | |
| 182 | A | B | -0.2631 | |
| 183 | A | B | 0.0000 | |
| 184 | L | B | -1.1248 | |
| 185 | N | B | -1.7317 | |
| 186 | T | B | -1.1608 | |
| 187 | A | B | -1.1616 | |
| 188 | K | B | -2.2450 | |
| 189 | V | B | -1.9174 | |
| 190 | E | B | -2.5630 | |
| 191 | P | B | -2.4569 | |
| 192 | N | B | -2.4362 | |
| 193 | S | B | -1.8022 | |
| 194 | S | B | -0.9828 | |
| 195 | V | B | -0.0986 | |
| 196 | A | B | 0.9317 | |
| 197 | V | B | 0.0000 | |
| 198 | W | B | 1.8156 | |
| 199 | G | B | 0.6803 | |
| 200 | L | B | 0.0000 | |
| 201 | G | B | 0.0929 | |
| 202 | A | B | 0.3527 | |
| 203 | V | B | 0.8204 | |
| 204 | G | B | 0.0000 | |
| 205 | L | B | 0.7018 | |
| 206 | A | B | 0.0000 | |
| 207 | V | B | 0.5821 | |
| 208 | L | B | 0.0000 | |
| 209 | M | B | -0.3092 | |
| 210 | G | B | 0.0000 | |
| 211 | A | B | 0.0000 | |
| 212 | K | B | -2.6527 | |
| 213 | R | B | -2.4917 | |
| 214 | A | B | -2.2907 | |
| 215 | G | B | -2.4153 | |
| 216 | A | B | 0.0000 | |
| 217 | T | B | -1.9479 | |
| 218 | K | B | -1.7813 | |
| 219 | I | B | -0.3196 | |
| 220 | I | B | 1.2158 | |
| 221 | G | B | 0.7179 | |
| 222 | V | B | 1.6067 | |
| 223 | D | B | 0.6877 | |
| 224 | I | B | 1.3076 | |
| 225 | N | B | -0.8030 | |
| 226 | P | B | -1.1005 | |
| 227 | D | B | -1.9519 | |
| 228 | K | B | -1.1903 | |
| 229 | C | B | -0.5168 | |
| 230 | A | B | -0.2971 | |
| 231 | I | B | 0.4865 | |
| 232 | A | B | 0.0000 | |
| 233 | K | B | -1.0030 | |
| 234 | S | B | -0.1786 | |
| 235 | F | B | 0.2286 | |
| 236 | G | B | -0.9251 |
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