| Chain sequence(s) |
A: QVQLVESGGLPVQAGGSLKLSCAASAGLRAGPIHYGWFRQAPGKEREGVAVESDDTALGFATYADSVKGRFTISQDNSKNTVYLQMNSLRPEDTAVYYCAASIRRCTWYHPTGYNYWGQGTQVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKV
B: QVQLVESGGLPVQAGGSLKLSCAASAGLRAGPIHYGWFRQAPGKEREGVAVESDDTALGFATYADSVKGRFTISQDNSKNTVYLQMNSLRPEDTAVYYCAASIRRCTWYHPTGYNYWGQGTQVTVSSTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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] (00:00:08)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:08)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:08)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:08)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:08)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:53)
[INFO] Main: Simulation completed successfully. (00:06:57)
|
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 | Q | A | -0.6559 | |
| 2 | V | A | 0.0000 | |
| 3 | Q | A | -0.0541 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 1.4069 | |
| 6 | E | A | 0.0000 | |
| 7 | S | A | -0.1773 | |
| 8 | G | A | -0.5038 | |
| 9 | G | A | -0.1381 | |
| 10 | L | A | 0.6803 | |
| 11 | P | A | 0.2209 | |
| 12 | V | A | -0.1553 | |
| 13 | Q | A | -0.7805 | |
| 14 | A | A | -1.5019 | |
| 15 | G | A | -1.3962 | |
| 16 | G | A | -1.1136 | |
| 17 | S | A | -1.5189 | |
| 18 | L | A | 0.0000 | |
| 19 | K | A | -1.8373 | |
| 20 | L | A | 0.0000 | |
| 21 | S | A | -0.3290 | |
| 22 | C | A | 0.0000 | |
| 23 | A | A | 0.0256 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -0.3687 | |
| 26 | A | A | -0.6545 | |
| 27 | G | A | -1.4608 | |
| 28 | L | A | 0.0000 | |
| 29 | R | A | -2.4232 | |
| 30 | A | A | -0.9574 | |
| 31 | G | A | -1.1589 | |
| 32 | P | A | 0.0000 | |
| 33 | I | A | -0.8615 | |
| 34 | H | A | -0.5402 | |
| 35 | Y | A | 0.0000 | |
| 36 | G | A | 0.0000 | |
| 37 | W | A | 0.0000 | |
| 38 | F | A | -0.2303 | |
| 39 | R | A | 0.0000 | |
| 40 | Q | A | -1.8704 | |
| 41 | A | A | -1.8443 | |
| 42 | P | A | -1.3286 | |
| 43 | G | A | -1.9047 | |
| 44 | K | A | -3.2974 | |
| 45 | E | A | -3.5063 | |
| 46 | R | A | -2.6298 | |
| 47 | E | A | -2.3506 | |
| 48 | G | A | -0.7516 | |
| 49 | V | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | V | A | 0.5386 | |
| 52 | E | A | 0.3214 | |
| 53 | S | A | 0.1559 | |
| 54 | D | A | 0.0000 | |
| 55 | D | A | -1.1914 | |
| 56 | T | A | -0.6450 | |
| 57 | A | A | 0.3912 | |
| 58 | L | A | 1.4439 | |
| 59 | G | A | 0.7193 | |
| 60 | F | A | 1.8895 | |
| 61 | A | A | 1.0573 | |
| 62 | T | A | 0.1029 | |
| 63 | Y | A | -0.8529 | |
| 64 | A | A | -1.4514 | |
| 65 | D | A | -2.5005 | |
| 66 | S | A | -1.8102 | |
| 67 | V | A | 0.0000 | |
| 68 | K | A | -2.6292 | |
| 69 | G | A | -1.8746 | |
| 70 | R | A | -1.8632 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.9951 | |
| 73 | I | A | 0.0000 | |
| 74 | S | A | -0.6486 | |
| 75 | Q | A | -1.3075 | |
| 76 | D | A | -1.9604 | |
| 77 | N | A | -2.7540 | |
| 78 | S | A | -1.9601 | |
| 79 | K | A | -2.6159 | |
| 80 | N | A | -2.2274 | |
| 81 | T | A | 0.0000 | |
| 82 | V | A | 0.0000 | |
| 83 | Y | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | Q | A | -1.6178 | |
| 86 | M | A | 0.0000 | |
| 87 | N | A | -2.2402 | |
| 88 | S | A | -1.5937 | |
| 89 | L | A | 0.0000 | |
| 90 | R | A | -2.7318 | |
| 91 | P | A | -1.9396 | |
| 92 | E | A | -2.4550 | |
| 93 | D | A | 0.0000 | |
| 94 | T | A | -1.1044 | |
| 95 | A | A | 0.0000 | |
| 96 | V | A | -0.2605 | |
| 97 | Y | A | 0.0000 | |
| 98 | Y | A | -0.0756 | |
| 99 | C | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | A | A | 0.0000 | |
| 102 | S | A | -0.5401 | |
| 103 | I | A | 0.0000 | |
| 104 | R | A | -2.2810 | |
| 105 | R | A | -2.3178 | |
| 106 | C | A | 0.0000 | |
| 107 | T | A | -0.2942 | |
| 108 | W | A | 0.9343 | |
| 109 | Y | A | 1.3935 | |
| 110 | H | A | 0.0663 | |
| 111 | P | A | -0.2495 | |
| 112 | T | A | -0.4212 | |
| 113 | G | A | -0.5381 | |
| 114 | Y | A | -0.1901 | |
| 115 | N | A | 0.0000 | |
| 116 | Y | A | 0.0000 | |
| 117 | W | A | 0.2170 | |
| 118 | G | A | 0.0543 | |
| 119 | Q | A | -0.8287 | |
| 120 | G | A | 0.0000 | |
| 121 | T | A | -0.2946 | |
| 122 | Q | A | -0.8518 | |
| 123 | V | A | 0.0000 | |
| 124 | T | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | S | A | 0.0000 | |
| 127 | S | A | -0.7256 | |
| 128 | A | A | -0.4367 | |
| 129 | S | A | -0.5807 | |
| 130 | T | A | -0.7126 | |
| 131 | K | A | -1.1866 | |
| 132 | G | A | -1.3399 | |
| 133 | P | A | 0.0000 | |
| 134 | S | A | -0.4587 | |
| 135 | V | A | 0.0000 | |
| 136 | F | A | 0.0000 | |
| 137 | P | A | -0.7120 | |
| 138 | L | A | 0.0000 | |
| 139 | A | A | -0.1971 | |
| 140 | P | A | -0.1416 | |
| 141 | S | A | -0.3451 | |
| 142 | S | A | -0.6337 | |
| 143 | K | A | -1.0762 | |
| 144 | S | A | 0.0000 | |
| 145 | T | A | -0.7150 | |
| 146 | S | A | -0.6908 | |
| 147 | G | A | -0.7887 | |
| 148 | G | A | -0.8610 | |
| 149 | T | A | -0.5954 | |
| 150 | A | A | 0.0000 | |
| 151 | A | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | C | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | K | A | 0.0000 | |
| 158 | D | A | -0.5107 | |
| 159 | Y | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | P | A | -0.6101 | |
| 162 | E | A | -0.5296 | |
| 163 | P | A | -0.7156 | |
| 164 | V | A | -0.6956 | |
| 165 | T | A | -0.5407 | |
| 166 | V | A | -0.1009 | |
| 167 | S | A | -0.3260 | |
| 168 | W | A | 0.0000 | |
| 169 | N | A | -0.6969 | |
| 170 | S | A | -0.6075 | |
| 171 | G | A | -0.4949 | |
| 172 | A | A | -0.2298 | |
| 173 | L | A | 0.0271 | |
| 174 | T | A | -0.1630 | |
| 175 | S | A | -0.1755 | |
| 176 | G | A | -0.1982 | |
| 177 | V | A | 0.1785 | |
| 178 | H | A | -0.3328 | |
| 179 | T | A | 0.0064 | |
| 180 | F | A | 0.0000 | |
| 181 | P | A | -0.4777 | |
| 182 | A | A | -0.0207 | |
| 183 | V | A | 0.1737 | |
| 184 | L | A | 0.5058 | |
| 185 | Q | A | -0.0290 | |
| 186 | S | A | -0.1864 | |
| 187 | S | A | -0.3084 | |
| 188 | G | A | -0.1207 | |
| 189 | L | A | -0.1582 | |
| 190 | Y | A | 0.0000 | |
| 191 | S | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | S | A | 0.0000 | |
| 194 | S | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | -0.1346 | |
| 198 | V | A | 0.0000 | |
| 199 | P | A | -0.5430 | |
| 200 | S | A | -0.4734 | |
| 201 | S | A | -0.4813 | |
| 202 | S | A | -0.4062 | |
| 203 | L | A | -0.0638 | |
| 204 | G | A | -0.5177 | |
| 205 | T | A | -0.5799 | |
| 206 | Q | A | -0.8327 | |
| 207 | T | A | -0.5911 | |
| 208 | Y | A | 0.0000 | |
| 209 | I | A | -0.8214 | |
| 210 | C | A | 0.0000 | |
| 211 | N | A | -1.3746 | |
| 212 | V | A | 0.0000 | |
| 213 | N | A | -1.8208 | |
| 214 | H | A | 0.0000 | |
| 215 | K | A | -2.7438 | |
| 216 | P | A | -1.6668 | |
| 217 | S | A | -1.8297 | |
| 218 | N | A | -2.5707 | |
| 219 | T | A | -2.0540 | |
| 220 | K | A | -2.6337 | |
| 221 | V | A | -1.5302 | |
| 222 | D | A | -2.2283 | |
| 223 | K | A | -1.8404 | |
| 224 | K | A | -1.8414 | |
| 225 | V | A | -0.4953 | |
| 1 | Q | B | -1.5604 | |
| 2 | V | B | 0.0000 | |
| 3 | Q | B | -1.2578 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.8848 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.2237 | |
| 8 | G | B | -0.4598 | |
| 9 | G | B | -0.1456 | |
| 10 | L | B | 0.8549 | |
| 11 | P | B | 0.0323 | |
| 12 | V | B | -0.3259 | |
| 13 | Q | B | -1.4640 | |
| 14 | A | B | -1.4272 | |
| 15 | G | B | -1.3566 | |
| 16 | G | B | -1.0675 | |
| 17 | S | B | -1.3286 | |
| 18 | L | B | 0.0000 | |
| 19 | K | B | -1.6554 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.2987 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.2066 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.6982 | |
| 26 | A | B | -1.0178 | |
| 27 | G | B | -1.4933 | |
| 28 | L | B | 0.0000 | |
| 29 | R | B | -2.3977 | |
| 30 | A | B | -1.0235 | |
| 31 | G | B | -0.9309 | |
| 32 | P | B | 0.0000 | |
| 33 | I | B | -0.9266 | |
| 34 | H | B | 0.0000 | |
| 35 | Y | B | 0.0000 | |
| 36 | G | B | 0.0000 | |
| 37 | W | B | 0.0000 | |
| 38 | F | B | 0.0000 | |
| 39 | R | B | 0.0000 | |
| 40 | Q | B | -1.9873 | |
| 41 | A | B | -1.8782 | |
| 42 | P | B | -1.3633 | |
| 43 | G | B | -1.9145 | |
| 44 | K | B | -3.3000 | |
| 45 | E | B | -3.4881 | |
| 46 | R | B | -2.6610 | |
| 47 | E | B | -2.3000 | |
| 48 | G | B | 0.0000 | |
| 49 | V | B | 0.0000 | |
| 50 | A | B | 0.0000 | |
| 51 | V | B | 0.0000 | |
| 52 | E | B | -0.0691 | |
| 53 | S | B | 0.0000 | |
| 54 | D | B | 0.0000 | |
| 55 | D | B | -1.0449 | |
| 56 | T | B | -0.6654 | |
| 57 | A | B | 0.3263 | |
| 58 | L | B | 1.1708 | |
| 59 | G | B | 0.2550 | |
| 60 | F | B | 0.8004 | |
| 61 | A | B | 0.4302 | |
| 62 | T | B | -0.2885 | |
| 63 | Y | B | -0.9562 | |
| 64 | A | B | -1.4790 | |
| 65 | D | B | -2.5382 | |
| 66 | S | B | -1.8071 | |
| 67 | V | B | 0.0000 | |
| 68 | K | B | -2.6693 | |
| 69 | G | B | -1.8761 | |
| 70 | R | B | -1.8298 | |
| 71 | F | B | 0.0000 | |
| 72 | T | B | -0.9711 | |
| 73 | I | B | 0.0000 | |
| 74 | S | B | -0.6451 | |
| 75 | Q | B | -1.2925 | |
| 76 | D | B | -1.9571 | |
| 77 | N | B | -2.7587 | |
| 78 | S | B | -1.9688 | |
| 79 | K | B | -2.5987 | |
| 80 | N | B | -2.2301 | |
| 81 | T | B | 0.0000 | |
| 82 | V | B | 0.0000 | |
| 83 | Y | B | -0.5874 | |
| 84 | L | B | 0.0000 | |
| 85 | Q | B | -1.4527 | |
| 86 | M | B | 0.0000 | |
| 87 | N | B | -1.8510 | |
| 88 | S | B | -1.2627 | |
| 89 | L | B | 0.0000 | |
| 90 | R | B | -1.4489 | |
| 91 | P | B | 0.0000 | |
| 92 | E | B | -1.7938 | |
| 93 | D | B | 0.0000 | |
| 94 | T | B | -0.8736 | |
| 95 | A | B | 0.0000 | |
| 96 | V | B | -0.4520 | |
| 97 | Y | B | 0.0000 | |
| 98 | Y | B | -0.2467 | |
| 99 | C | B | 0.0000 | |
| 100 | A | B | 0.0000 | |
| 101 | A | B | 0.0000 | |
| 102 | S | B | 0.0000 | |
| 103 | I | B | -0.2690 | |
| 104 | R | B | -1.4443 | |
| 105 | R | B | -2.2599 | |
| 106 | C | B | 0.0000 | |
| 107 | T | B | 0.0000 | |
| 108 | W | B | 0.0000 | |
| 109 | Y | B | -0.3550 | |
| 110 | H | B | -0.6083 | |
| 111 | P | B | -0.5105 | |
| 112 | T | B | 0.1285 | |
| 113 | G | B | 0.0000 | |
| 114 | Y | B | 0.0000 | |
| 115 | N | B | 0.3131 | |
| 116 | Y | B | -0.1349 | |
| 117 | W | B | 0.0744 | |
| 118 | G | B | -0.1872 | |
| 119 | Q | B | -0.9025 | |
| 120 | G | B | -0.5156 | |
| 121 | T | B | 0.0000 | |
| 122 | Q | B | -0.8305 | |
| 123 | V | B | 0.0000 | |
| 124 | T | B | -0.4422 | |
| 125 | V | B | 0.0000 | |
| 126 | S | B | -0.8693 | |
| 127 | S | B | -0.4405 | |
| 128 | T | B | 0.0318 | |
| 129 | V | B | 0.4548 | |
| 130 | A | B | -0.0550 | |
| 131 | A | B | -0.1038 | |
| 132 | P | B | 0.0000 | |
| 133 | S | B | -0.1680 | |
| 134 | V | B | 0.0000 | |
| 135 | F | B | 0.0000 | |
| 136 | I | B | 0.0000 | |
| 137 | F | B | 0.0000 | |
| 138 | P | B | -0.4378 | |
| 139 | P | B | 0.0000 | |
| 140 | S | B | -1.6492 | |
| 141 | D | B | -3.0077 | |
| 142 | E | B | -3.1218 | |
| 143 | Q | B | 0.0000 | |
| 144 | L | B | -2.3015 | |
| 145 | K | B | -2.9182 | |
| 146 | S | B | -1.8171 | |
| 147 | G | B | -1.3657 | |
| 148 | T | B | -0.9989 | |
| 149 | A | B | 0.0000 | |
| 150 | S | B | 0.0000 | |
| 151 | V | B | 0.0000 | |
| 152 | V | B | 0.0000 | |
| 153 | C | B | 0.0000 | |
| 154 | L | B | 0.0000 | |
| 155 | L | B | 0.0000 | |
| 156 | N | B | 0.0000 | |
| 157 | N | B | -0.8226 | |
| 158 | F | B | 0.0000 | |
| 159 | Y | B | -0.8007 | |
| 160 | P | B | -1.3240 | |
| 161 | R | B | -2.7440 | |
| 162 | E | B | -3.0699 | |
| 163 | A | B | -2.2419 | |
| 164 | K | B | -2.3499 | |
| 165 | V | B | -0.9679 | |
| 166 | Q | B | -0.4636 | |
| 167 | W | B | 0.0000 | |
| 168 | K | B | -0.4920 | |
| 169 | V | B | 0.0000 | |
| 170 | D | B | -1.6709 | |
| 171 | N | B | -1.4174 | |
| 172 | A | B | -0.2381 | |
| 173 | L | B | 0.7178 | |
| 174 | Q | B | -0.2878 | |
| 175 | S | B | -0.6354 | |
| 176 | G | B | -1.2560 | |
| 177 | N | B | -1.5491 | |
| 178 | S | B | -1.3805 | |
| 179 | Q | B | -1.4219 | |
| 180 | E | B | -1.5169 | |
| 181 | S | B | -0.8735 | |
| 182 | V | B | -0.8180 | |
| 183 | T | B | -1.2339 | |
| 184 | E | B | -2.2456 | |
| 185 | Q | B | -2.2181 | |
| 186 | D | B | -2.1852 | |
| 187 | S | B | -1.9226 | |
| 188 | K | B | -2.4897 | |
| 189 | D | B | -1.9869 | |
| 190 | S | B | -1.7075 | |
| 191 | T | B | 0.0000 | |
| 192 | Y | B | 0.0000 | |
| 193 | S | B | 0.0000 | |
| 194 | L | B | 0.0000 | |
| 195 | S | B | 0.0000 | |
| 196 | S | B | 0.0000 | |
| 197 | T | B | -0.6636 | |
| 198 | L | B | 0.0000 | |
| 199 | T | B | -0.6080 | |
| 200 | L | B | -0.6624 | |
| 201 | S | B | -0.8593 | |
| 202 | K | B | -1.8307 | |
| 203 | A | B | -1.5449 | |
| 204 | D | B | -2.0558 | |
| 205 | Y | B | 0.0000 | |
| 206 | E | B | -2.7896 | |
| 207 | K | B | -3.1314 | |
| 208 | H | B | -2.3940 | |
| 209 | K | B | -2.3649 | |
| 210 | V | B | -0.8813 | |
| 211 | Y | B | 0.0000 | |
| 212 | A | B | 0.0000 | |
| 213 | C | B | 0.0000 | |
| 214 | E | B | -0.5013 | |
| 215 | V | B | 0.0000 | |
| 216 | T | B | -1.1801 | |
| 217 | H | B | 0.0000 | |
| 218 | Q | B | -1.7564 | |
| 219 | G | B | -0.4682 | |
| 220 | L | B | -0.2655 | |
| 221 | S | B | -0.4586 | |
| 222 | S | B | -0.4242 | |
| 223 | P | B | -0.5171 | |
| 224 | V | B | 0.1290 | |
| 225 | T | B | -0.2652 | |
| 226 | K | B | -0.5899 | |
| 227 | S | B | -0.5121 | |
| 228 | F | B | 0.0000 | |
| 229 | N | B | -1.3867 | |
| 230 | R | B | -1.8304 | |
| 231 | G | B | -1.6364 | |
| 232 | E | B | -2.0428 | |
| 233 | C | B | -0.5972 |
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