| Chain sequence(s) |
A: EIVLTQSPATLSLSPGERATLSCKASKRVTTYVSWYQQKPGQAPRLLIYGASNRYLGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCSQSYNYPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYYMSWVRQAPGKGLEWVSAISLSGGSTYYAASHKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCVREVGASTHNYYGMDVWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT 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 (00:05:10)
[INFO] Main: Simulation completed successfully. (00:05:13)
|
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 | E | A | -1.6005 | |
| 2 | I | A | -0.5784 | |
| 3 | V | A | 0.7335 | |
| 4 | L | A | 0.0000 | |
| 5 | T | A | -0.5337 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.6176 | |
| 8 | P | A | -0.2615 | |
| 9 | A | A | -0.3912 | |
| 10 | T | A | -0.2406 | |
| 11 | L | A | -0.1371 | |
| 12 | S | A | -0.5603 | |
| 13 | L | A | -1.0334 | |
| 14 | S | A | -1.4418 | |
| 15 | P | A | -1.6671 | |
| 16 | G | A | -1.8022 | |
| 17 | E | A | -2.4259 | |
| 18 | R | A | -2.6332 | |
| 19 | A | A | 0.0000 | |
| 20 | T | A | -0.6332 | |
| 21 | L | A | 0.0000 | |
| 22 | S | A | -0.7963 | |
| 23 | C | A | 0.0000 | |
| 24 | K | A | -2.1920 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -1.4498 | |
| 27 | K | A | -2.8060 | |
| 28 | R | A | -2.9644 | |
| 29 | V | A | 0.0000 | |
| 30 | T | A | -1.0423 | |
| 31 | T | A | -0.6128 | |
| 32 | Y | A | -0.0492 | |
| 33 | V | A | 0.0000 | |
| 34 | S | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | -0.6099 | |
| 38 | Q | A | 0.0000 | |
| 39 | K | A | -1.3434 | |
| 40 | P | A | -1.3540 | |
| 41 | G | A | -1.4335 | |
| 42 | Q | A | -2.0334 | |
| 43 | A | A | -1.3198 | |
| 44 | P | A | 0.0000 | |
| 45 | R | A | -1.0206 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | -0.1530 | |
| 50 | G | A | 0.0000 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | -0.6925 | |
| 53 | N | A | -0.6583 | |
| 54 | R | A | -0.7865 | |
| 55 | Y | A | 0.2312 | |
| 56 | L | A | 1.1966 | |
| 57 | G | A | 0.2726 | |
| 58 | I | A | 0.0969 | |
| 59 | P | A | -0.1524 | |
| 60 | A | A | -0.3742 | |
| 61 | R | A | -0.8318 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -0.6272 | |
| 64 | G | A | 0.0000 | |
| 65 | S | A | -0.7597 | |
| 66 | G | A | -1.1012 | |
| 67 | S | A | -1.1154 | |
| 68 | G | A | -1.8266 | |
| 69 | T | A | -2.4244 | |
| 70 | D | A | -2.6587 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.7763 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.6170 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.4900 | |
| 77 | S | A | -1.7659 | |
| 78 | L | A | 0.0000 | |
| 79 | E | A | -1.9720 | |
| 80 | P | A | -1.5700 | |
| 81 | E | A | -2.2371 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | -0.6080 | |
| 84 | A | A | 0.0000 | |
| 85 | V | A | -0.2728 | |
| 86 | Y | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | S | A | 0.0000 | |
| 90 | Q | A | 0.0000 | |
| 91 | S | A | 0.0000 | |
| 92 | Y | A | -0.1161 | |
| 93 | N | A | -0.8419 | |
| 94 | Y | A | -0.1479 | |
| 95 | P | A | -0.2722 | |
| 96 | Y | A | 0.0595 | |
| 97 | T | A | -0.0369 | |
| 98 | F | A | 0.0569 | |
| 99 | G | A | 0.0000 | |
| 100 | Q | A | -1.4094 | |
| 101 | G | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -0.7197 | |
| 104 | L | A | 0.0000 | |
| 105 | E | A | 0.0000 | |
| 106 | I | A | -0.7425 | |
| 107 | K | A | -1.5960 | |
| 108 | R | A | -1.1133 | |
| 109 | T | A | -0.1610 | |
| 110 | V | A | 0.3833 | |
| 111 | A | A | -0.0003 | |
| 112 | A | A | -0.1150 | |
| 113 | P | A | 0.0000 | |
| 114 | S | A | -0.2525 | |
| 115 | V | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | P | A | -0.5771 | |
| 120 | P | A | -0.8763 | |
| 121 | S | A | -1.9027 | |
| 122 | D | A | -3.0424 | |
| 123 | E | A | -3.2702 | |
| 124 | Q | A | 0.0000 | |
| 125 | L | A | -2.4515 | |
| 126 | K | A | -2.9854 | |
| 127 | S | A | -1.8821 | |
| 128 | G | A | -1.4164 | |
| 129 | T | A | -1.1185 | |
| 130 | A | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | C | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | N | A | 0.0000 | |
| 138 | N | A | -1.0137 | |
| 139 | F | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | P | A | -1.5831 | |
| 142 | R | A | -2.6573 | |
| 143 | E | A | -3.0135 | |
| 144 | A | A | -2.1800 | |
| 145 | K | A | -2.3182 | |
| 146 | V | A | -1.0699 | |
| 147 | Q | A | -0.6806 | |
| 148 | W | A | 0.0000 | |
| 149 | K | A | -0.5350 | |
| 150 | V | A | 0.0000 | |
| 151 | D | A | -1.9170 | |
| 152 | N | A | -1.5179 | |
| 153 | A | A | -0.2654 | |
| 154 | L | A | 0.6415 | |
| 155 | Q | A | -0.3382 | |
| 156 | S | A | -0.6588 | |
| 157 | G | A | -1.2333 | |
| 158 | N | A | -1.5012 | |
| 159 | S | A | -1.3808 | |
| 160 | Q | A | -1.3388 | |
| 161 | E | A | -1.5613 | |
| 162 | S | A | -0.8775 | |
| 163 | V | A | -0.7901 | |
| 164 | T | A | -1.2262 | |
| 165 | E | A | -2.2658 | |
| 166 | Q | A | -1.8463 | |
| 167 | D | A | -1.9748 | |
| 168 | S | A | -1.7113 | |
| 169 | K | A | -2.2142 | |
| 170 | D | A | -1.6427 | |
| 171 | S | A | -1.7237 | |
| 172 | T | A | 0.0000 | |
| 173 | Y | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | T | A | -0.6597 | |
| 179 | L | A | 0.0000 | |
| 180 | T | A | -0.6248 | |
| 181 | L | A | -0.7966 | |
| 182 | S | A | -1.0789 | |
| 183 | K | A | -2.2311 | |
| 184 | A | A | -1.8894 | |
| 185 | D | A | -2.3537 | |
| 186 | Y | A | 0.0000 | |
| 187 | E | A | -3.5938 | |
| 188 | K | A | -3.6140 | |
| 189 | H | A | -2.9761 | |
| 190 | K | A | -3.2548 | |
| 191 | V | A | -1.3984 | |
| 192 | Y | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | C | A | 0.0000 | |
| 195 | E | A | -0.6484 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | -1.1734 | |
| 198 | H | A | 0.0000 | |
| 199 | Q | A | -1.6778 | |
| 200 | G | A | -0.3833 | |
| 201 | L | A | -0.2070 | |
| 202 | S | A | -0.4434 | |
| 203 | S | A | -0.3994 | |
| 204 | P | A | -0.4853 | |
| 205 | V | A | 0.1210 | |
| 206 | T | A | -0.3487 | |
| 207 | K | A | -0.8129 | |
| 208 | S | A | -0.6822 | |
| 209 | F | A | 0.0000 | |
| 210 | N | A | -1.7149 | |
| 211 | R | A | -2.3382 | |
| 212 | G | A | -1.9155 | |
| 213 | E | A | -2.0135 | |
| 214 | C | A | -1.1704 | |
| 1 | E | B | -2.0426 | |
| 2 | V | B | -1.1072 | |
| 3 | Q | B | -1.1507 | |
| 4 | L | B | 0.0000 | |
| 5 | L | B | 0.8211 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.3834 | |
| 8 | G | B | -0.7769 | |
| 9 | G | B | -0.3297 | |
| 10 | G | B | 0.2778 | |
| 11 | L | B | 0.5711 | |
| 12 | V | B | 0.0000 | |
| 13 | Q | B | -1.5471 | |
| 14 | P | B | -1.7403 | |
| 15 | G | B | -1.4858 | |
| 16 | G | B | -1.1043 | |
| 17 | S | B | -1.3169 | |
| 18 | L | B | -1.0451 | |
| 19 | R | B | -1.9089 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.3658 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.1764 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.7740 | |
| 26 | G | B | -1.1488 | |
| 27 | F | B | -0.4389 | |
| 28 | T | B | -0.1897 | |
| 29 | F | B | 0.0000 | |
| 30 | S | B | -0.1834 | |
| 31 | S | B | 0.2248 | |
| 32 | Y | B | 0.6995 | |
| 33 | Y | B | 0.8919 | |
| 34 | M | B | 0.0000 | |
| 35 | S | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.7552 | |
| 40 | A | B | -1.1480 | |
| 41 | P | B | -0.9424 | |
| 42 | G | B | -1.4957 | |
| 43 | K | B | -2.3832 | |
| 44 | G | B | -1.5991 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -1.0358 | |
| 47 | W | B | 0.0000 | |
| 48 | V | B | 0.0000 | |
| 49 | S | B | 0.0000 | |
| 50 | A | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | S | B | 0.3450 | |
| 53 | L | B | 0.6205 | |
| 54 | S | B | -0.2145 | |
| 55 | G | B | -0.4315 | |
| 56 | G | B | -0.5562 | |
| 57 | S | B | -0.2115 | |
| 58 | T | B | 0.0322 | |
| 59 | Y | B | 0.3863 | |
| 60 | Y | B | -0.1599 | |
| 61 | A | B | -0.5071 | |
| 62 | A | B | -0.7576 | |
| 63 | S | B | -0.7523 | |
| 64 | H | B | 0.0000 | |
| 65 | K | B | -1.9570 | |
| 66 | G | B | -1.5629 | |
| 67 | R | B | -1.4301 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -0.7806 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.4692 | |
| 72 | R | B | -0.9650 | |
| 73 | D | B | -1.6393 | |
| 74 | N | B | -1.6433 | |
| 75 | S | B | -1.6165 | |
| 76 | K | B | -2.3902 | |
| 77 | N | B | -1.7746 | |
| 78 | T | B | -1.0457 | |
| 79 | L | B | 0.0000 | |
| 80 | Y | B | -0.4841 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.1216 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -1.5525 | |
| 85 | S | B | -1.3233 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -2.5342 | |
| 88 | A | B | -1.8112 | |
| 89 | E | B | -2.2855 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.6587 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.3171 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | V | B | 0.0000 | |
| 98 | R | B | 0.0000 | |
| 99 | E | B | 0.0000 | |
| 100 | V | B | 0.4100 | |
| 101 | G | B | -0.4455 | |
| 102 | A | B | -0.7155 | |
| 103 | S | B | -0.8085 | |
| 104 | T | B | -0.9433 | |
| 105 | H | B | -1.6189 | |
| 106 | N | B | -1.5024 | |
| 107 | Y | B | -0.5688 | |
| 108 | Y | B | -0.0441 | |
| 109 | G | B | 0.0000 | |
| 110 | M | B | 0.0000 | |
| 111 | D | B | 0.0000 | |
| 112 | V | B | -0.1509 | |
| 113 | W | B | 0.0000 | |
| 114 | G | B | 0.0000 | |
| 115 | Q | B | -1.2141 | |
| 116 | G | B | 0.0000 | |
| 117 | T | B | 0.0537 | |
| 118 | M | B | 0.3932 | |
| 119 | V | B | 0.0000 | |
| 120 | T | B | 0.0000 | |
| 121 | V | B | 0.0000 | |
| 122 | S | B | -0.9093 | |
| 123 | S | B | -0.8106 | |
| 124 | A | B | -0.4557 | |
| 125 | S | B | -0.5325 | |
| 126 | T | B | -0.5836 | |
| 127 | K | B | -1.1264 | |
| 128 | G | B | -1.3865 | |
| 129 | P | B | 0.0000 | |
| 130 | S | B | -0.4300 | |
| 131 | V | B | 0.0000 | |
| 132 | F | B | 0.0000 | |
| 133 | P | B | -1.1678 | |
| 134 | L | B | 0.0000 | |
| 135 | A | B | -1.2218 | |
| 136 | P | B | 0.0000 | |
| 137 | S | B | -1.1266 | |
| 138 | S | B | -0.8288 | |
| 139 | K | B | -1.5143 | |
| 140 | S | B | 0.0000 | |
| 141 | T | B | -0.8468 | |
| 142 | S | B | -0.7778 | |
| 143 | G | B | -0.7989 | |
| 144 | G | B | -0.8673 | |
| 145 | T | B | -0.6083 | |
| 146 | A | B | 0.0000 | |
| 147 | A | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | G | B | 0.0000 | |
| 150 | C | B | 0.0000 | |
| 151 | L | B | 0.0000 | |
| 152 | V | B | 0.0000 | |
| 153 | K | B | 0.0000 | |
| 154 | D | B | -0.3145 | |
| 155 | Y | B | 0.0000 | |
| 156 | F | B | 0.0000 | |
| 157 | P | B | 0.0000 | |
| 158 | E | B | -0.9676 | |
| 159 | P | B | -1.0986 | |
| 160 | V | B | -0.9458 | |
| 161 | T | B | -0.7999 | |
| 162 | V | B | -0.2257 | |
| 163 | S | B | -0.3977 | |
| 164 | W | B | 0.0000 | |
| 165 | N | B | -0.6718 | |
| 166 | S | B | -0.5950 | |
| 167 | G | B | -0.4805 | |
| 168 | A | B | -0.2236 | |
| 169 | L | B | 0.0433 | |
| 170 | T | B | -0.1507 | |
| 171 | S | B | -0.1606 | |
| 172 | G | B | -0.1987 | |
| 173 | V | B | 0.1967 | |
| 174 | H | B | -0.3316 | |
| 175 | T | B | 0.0157 | |
| 176 | F | B | 0.0000 | |
| 177 | P | B | -0.4220 | |
| 178 | A | B | 0.1092 | |
| 179 | V | B | 0.4809 | |
| 180 | L | B | 1.1023 | |
| 181 | Q | B | 0.2904 | |
| 182 | S | B | -0.0501 | |
| 183 | S | B | -0.1706 | |
| 184 | G | B | 0.0452 | |
| 185 | L | B | 0.0961 | |
| 186 | Y | B | 0.3245 | |
| 187 | S | B | 0.0000 | |
| 188 | L | B | 0.0000 | |
| 189 | S | B | 0.0000 | |
| 190 | S | B | 0.0000 | |
| 191 | V | B | 0.0000 | |
| 192 | V | B | 0.0000 | |
| 193 | T | B | -0.1256 | |
| 194 | V | B | 0.0000 | |
| 195 | P | B | -0.6129 | |
| 196 | S | B | -0.5775 | |
| 197 | S | B | -0.5810 | |
| 198 | S | B | -0.5638 | |
| 199 | L | B | -0.7879 | |
| 200 | G | B | -0.9476 | |
| 201 | T | B | -0.6713 | |
| 202 | Q | B | -1.1154 | |
| 203 | T | B | -1.0545 | |
| 204 | Y | B | 0.0000 | |
| 205 | I | B | -1.0845 | |
| 206 | C | B | 0.0000 | |
| 207 | N | B | -1.4490 | |
| 208 | V | B | 0.0000 | |
| 209 | N | B | -2.3993 | |
| 210 | H | B | 0.0000 | |
| 211 | K | B | -2.9100 | |
| 212 | P | B | -1.7256 | |
| 213 | S | B | -1.8740 | |
| 214 | N | B | -2.6510 | |
| 215 | T | B | -2.1846 | |
| 216 | K | B | -2.8243 | |
| 217 | V | B | -1.5384 | |
| 218 | D | B | -2.2216 | |
| 219 | K | B | -1.9564 | |
| 220 | K | B | -2.4033 | |
| 221 | V | B | 0.0000 | |
| 222 | E | B | -2.8430 | |
| 223 | P | B | -1.7895 | |
| 224 | K | B | -2.2460 | |
| 225 | S | B | -1.6925 | |
| 226 | C | B | -1.2449 | |
| 227 | D | B | -2.6593 | |
| 228 | K | B | -2.6898 | |
| 229 | T | B | -1.8968 | |
| 230 | H | B | -1.9189 | |
| 231 | T | B | -0.9125 |
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