| Chain sequence(s) |
A: QVQLQQSGPELVKPGASVKISCKASGYSFNFYWMHWVKQRPGQGLEWIGMIDPSESESYLNQKFKDKATLTVDRSSSTAHMQLSSPTSEDSAVYYCTRSNYRYDYFDVWGAGTTVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPR
B: QIVLTQSPAIMSAFPGESVTMTCSASSSVSYMYWYQQKPGSSPRLLIYDTSNLASGVPVRFSGSGKGTSYSLTINRLEAEDGATYYCQQWTSYPLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNE 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 (00:00:09)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:21)
[INFO] Main: Simulation completed successfully. (00:06:26)
|
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 | |
| 2 | Q | A | -0.8154 | |
| 3 | V | A | 0.7399 | |
| 4 | Q | A | -0.4047 | |
| 5 | L | A | 0.0000 | |
| 6 | Q | A | -1.3427 | |
| 7 | Q | A | -1.0174 | |
| 8 | S | A | -1.0586 | |
| 9 | G | A | -0.8612 | |
| 10 | P | A | -0.6730 | |
| 11 | E | A | -1.0109 | |
| 12 | L | A | -0.3065 | |
| 13 | V | A | -0.9906 | |
| 14 | K | A | -2.0379 | |
| 15 | P | A | -1.5781 | |
| 16 | G | A | -1.1313 | |
| 17 | A | A | -0.8665 | |
| 18 | S | A | -1.2812 | |
| 19 | V | A | 0.0000 | |
| 20 | K | A | -2.2337 | |
| 21 | I | A | 0.0000 | |
| 22 | S | A | -1.0828 | |
| 23 | C | A | 0.0000 | |
| 24 | K | A | -1.5452 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -0.9316 | |
| 27 | G | A | -0.7099 | |
| 28 | Y | A | 0.0118 | |
| 29 | S | A | 0.2994 | |
| 30 | F | A | 0.0000 | |
| 31 | N | A | -0.1366 | |
| 32 | F | A | 2.0263 | |
| 33 | Y | A | 1.2948 | |
| 34 | W | A | 0.6615 | |
| 35 | M | A | 0.0000 | |
| 36 | H | A | 0.0000 | |
| 37 | W | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | K | A | -0.5745 | |
| 40 | Q | A | 0.0000 | |
| 41 | R | A | -1.1855 | |
| 42 | P | A | -1.0087 | |
| 43 | G | A | -1.3000 | |
| 44 | Q | A | -1.7233 | |
| 45 | G | A | 0.0000 | |
| 46 | L | A | 0.0000 | |
| 47 | E | A | -1.1637 | |
| 48 | W | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | G | A | 0.0000 | |
| 51 | M | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | D | A | -0.9233 | |
| 54 | P | A | 0.0000 | |
| 55 | S | A | -1.3752 | |
| 56 | E | A | -2.7229 | |
| 57 | S | A | -2.3889 | |
| 58 | E | A | -2.4286 | |
| 59 | S | A | -0.9000 | |
| 60 | Y | A | -0.0819 | |
| 61 | L | A | -0.6851 | |
| 62 | N | A | 0.0000 | |
| 63 | Q | A | -2.5980 | |
| 64 | K | A | -2.8587 | |
| 65 | F | A | 0.0000 | |
| 66 | K | A | -3.5250 | |
| 67 | D | A | -3.4713 | |
| 68 | K | A | -2.6870 | |
| 69 | A | A | 0.0000 | |
| 70 | T | A | -1.1294 | |
| 71 | L | A | -0.2533 | |
| 72 | T | A | -0.6905 | |
| 73 | V | A | -1.0962 | |
| 74 | D | A | -1.8302 | |
| 75 | R | A | -2.4316 | |
| 76 | S | A | -1.4027 | |
| 77 | S | A | -1.2407 | |
| 78 | S | A | -1.4647 | |
| 79 | T | A | -1.3065 | |
| 80 | A | A | 0.0000 | |
| 81 | H | A | -0.9643 | |
| 82 | M | A | 0.0000 | |
| 83 | Q | A | -1.7272 | |
| 84 | L | A | 0.0000 | |
| 85 | S | A | -1.4201 | |
| 86 | S | A | -1.0678 | |
| 87 | P | A | -0.9709 | |
| 88 | T | A | -0.8804 | |
| 89 | S | A | -1.6733 | |
| 90 | E | A | -2.4101 | |
| 91 | D | A | -1.4696 | |
| 92 | S | A | -0.7789 | |
| 93 | A | A | -0.2700 | |
| 94 | V | A | 0.0195 | |
| 95 | Y | A | 0.0000 | |
| 96 | Y | A | 0.0000 | |
| 97 | C | A | 0.0000 | |
| 98 | T | A | 0.0000 | |
| 99 | R | A | 0.0000 | |
| 100 | S | A | -0.3073 | |
| 101 | N | A | -0.3297 | |
| 102 | Y | A | 0.5839 | |
| 103 | R | A | -1.0252 | |
| 104 | Y | A | -0.2585 | |
| 105 | D | A | -0.8200 | |
| 106 | Y | A | 0.0000 | |
| 107 | F | A | 0.0000 | |
| 108 | D | A | -1.0362 | |
| 109 | V | A | -0.2992 | |
| 110 | W | A | 0.0000 | |
| 111 | G | A | 0.0000 | |
| 112 | A | A | -0.4082 | |
| 113 | G | A | -0.3063 | |
| 114 | T | A | 0.0000 | |
| 115 | T | A | -0.2645 | |
| 116 | V | A | 0.0000 | |
| 117 | T | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | S | A | -1.4286 | |
| 120 | S | A | -1.4566 | |
| 121 | A | A | -1.2007 | |
| 122 | K | A | -1.9184 | |
| 123 | T | A | -0.8129 | |
| 124 | T | A | -0.4373 | |
| 125 | A | A | -0.1781 | |
| 126 | P | A | 0.0236 | |
| 127 | S | A | -0.2817 | |
| 128 | V | A | 0.0000 | |
| 129 | Y | A | 0.0000 | |
| 130 | P | A | -1.2399 | |
| 131 | L | A | 0.0000 | |
| 132 | A | A | -0.8731 | |
| 133 | P | A | -0.1299 | |
| 134 | V | A | 0.1379 | |
| 135 | C | A | 0.1165 | |
| 136 | G | A | -0.8489 | |
| 137 | D | A | -1.8774 | |
| 138 | T | A | -1.1520 | |
| 139 | T | A | -0.7971 | |
| 140 | G | A | -0.8167 | |
| 141 | S | A | -0.5587 | |
| 142 | S | A | -0.3799 | |
| 143 | V | A | -0.0685 | |
| 144 | T | A | 0.0598 | |
| 145 | L | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | C | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | K | A | -0.0018 | |
| 151 | G | A | 0.0000 | |
| 152 | Y | A | 0.1769 | |
| 153 | F | A | -0.0943 | |
| 154 | P | A | -0.1442 | |
| 155 | E | A | 0.0000 | |
| 156 | P | A | -0.1088 | |
| 157 | V | A | 0.0000 | |
| 158 | T | A | -0.0460 | |
| 159 | L | A | 0.0967 | |
| 160 | T | A | -0.3222 | |
| 161 | W | A | 0.0000 | |
| 162 | N | A | -0.5446 | |
| 163 | S | A | -0.7020 | |
| 164 | G | A | -0.5597 | |
| 165 | S | A | -0.4645 | |
| 166 | L | A | -0.1046 | |
| 167 | S | A | -0.2758 | |
| 168 | S | A | -0.2335 | |
| 169 | G | A | -0.1894 | |
| 170 | V | A | 0.1828 | |
| 171 | H | A | -0.2154 | |
| 172 | T | A | 0.0427 | |
| 173 | F | A | 0.0000 | |
| 174 | P | A | 0.1968 | |
| 175 | A | A | 0.4509 | |
| 176 | V | A | 0.4432 | |
| 177 | L | A | 0.2598 | |
| 178 | Q | A | -0.9021 | |
| 179 | S | A | -1.1944 | |
| 180 | D | A | -2.0046 | |
| 181 | L | A | -0.7794 | |
| 182 | Y | A | -0.0026 | |
| 183 | T | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | T | A | -0.0099 | |
| 190 | V | A | 0.0602 | |
| 191 | T | A | -0.2814 | |
| 192 | S | A | -0.4651 | |
| 193 | S | A | -0.5637 | |
| 194 | T | A | -0.6638 | |
| 195 | W | A | -0.8309 | |
| 196 | P | A | -1.1514 | |
| 197 | S | A | -1.0116 | |
| 198 | Q | A | -1.4833 | |
| 199 | S | A | -1.5849 | |
| 200 | I | A | 0.0000 | |
| 201 | T | A | -1.5171 | |
| 202 | C | A | 0.0000 | |
| 203 | N | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | A | A | -0.8251 | |
| 206 | H | A | -0.5278 | |
| 207 | P | A | -0.6613 | |
| 208 | A | A | -0.4333 | |
| 209 | S | A | -0.7038 | |
| 210 | S | A | -0.7134 | |
| 211 | T | A | -0.9590 | |
| 212 | K | A | -2.0142 | |
| 213 | V | A | -1.2528 | |
| 214 | D | A | -2.4685 | |
| 215 | K | A | -2.0622 | |
| 216 | K | A | -2.6404 | |
| 217 | I | A | 0.0000 | |
| 218 | E | A | -3.0026 | |
| 219 | P | A | -2.2134 | |
| 220 | R | A | -2.2598 | |
| 2 | Q | B | -0.8003 | |
| 3 | I | B | 0.0000 | |
| 4 | V | B | 1.3951 | |
| 5 | L | B | 0.0000 | |
| 6 | T | B | 0.2086 | |
| 7 | Q | B | 0.0000 | |
| 8 | S | B | -0.0132 | |
| 9 | P | B | 0.3693 | |
| 10 | A | B | 0.7972 | |
| 11 | I | B | 1.7984 | |
| 12 | M | B | 0.8672 | |
| 13 | S | B | 0.1722 | |
| 14 | A | B | 0.0000 | |
| 15 | F | B | 0.1135 | |
| 16 | P | B | -1.2192 | |
| 17 | G | B | -1.9542 | |
| 18 | E | B | -2.2449 | |
| 19 | S | B | -1.9974 | |
| 20 | V | B | -0.8795 | |
| 21 | T | B | -0.2369 | |
| 22 | M | B | 0.0000 | |
| 23 | T | B | -0.2685 | |
| 24 | C | B | 0.0000 | |
| 25 | S | B | -0.1029 | |
| 26 | A | B | 0.2001 | |
| 27 | S | B | -0.0055 | |
| 28 | S | B | -0.3047 | |
| 29 | S | B | -0.6787 | |
| 30 | V | B | 0.0000 | |
| 31 | S | B | -0.4672 | |
| 32 | Y | B | 0.0863 | |
| 33 | M | B | 0.0000 | |
| 34 | Y | B | 0.0000 | |
| 35 | W | B | 0.0000 | |
| 36 | Y | B | 0.0000 | |
| 37 | Q | B | 0.0000 | |
| 38 | Q | B | 0.0000 | |
| 39 | K | B | -2.4888 | |
| 40 | P | B | -1.3588 | |
| 41 | G | B | -1.1458 | |
| 42 | S | B | -1.1952 | |
| 43 | S | B | -0.9035 | |
| 44 | P | B | 0.0000 | |
| 45 | R | B | -1.9322 | |
| 46 | L | B | -0.8179 | |
| 47 | L | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | Y | B | 0.0000 | |
| 50 | D | B | -0.4421 | |
| 51 | T | B | -0.6884 | |
| 52 | S | B | -0.6343 | |
| 53 | N | B | -0.7703 | |
| 54 | L | B | 1.0212 | |
| 55 | A | B | 0.0000 | |
| 56 | S | B | -0.4439 | |
| 57 | G | B | -0.0148 | |
| 58 | V | B | 0.4614 | |
| 59 | P | B | 0.8271 | |
| 60 | V | B | 1.7054 | |
| 61 | R | B | -0.4032 | |
| 62 | F | B | 0.0000 | |
| 63 | S | B | -0.1072 | |
| 64 | G | B | -0.6311 | |
| 65 | S | B | -0.8969 | |
| 66 | G | B | -1.3084 | |
| 67 | K | B | -1.9984 | |
| 68 | G | B | -1.1540 | |
| 69 | T | B | -0.8666 | |
| 70 | S | B | -0.9373 | |
| 71 | Y | B | 0.0000 | |
| 72 | S | B | -0.5206 | |
| 73 | L | B | 0.0000 | |
| 74 | T | B | -0.6481 | |
| 75 | I | B | 0.0000 | |
| 76 | N | B | -2.2849 | |
| 77 | R | B | -3.1973 | |
| 78 | L | B | 0.0000 | |
| 79 | E | B | -2.5442 | |
| 80 | A | B | -2.0249 | |
| 81 | E | B | -2.6981 | |
| 82 | D | B | 0.0000 | |
| 83 | G | B | -1.3464 | |
| 84 | A | B | 0.0000 | |
| 85 | T | B | -0.4009 | |
| 86 | Y | B | 0.0000 | |
| 87 | Y | B | 0.0000 | |
| 88 | C | B | 0.0000 | |
| 89 | Q | B | 0.0000 | |
| 90 | Q | B | 0.0000 | |
| 91 | W | B | 0.1843 | |
| 92 | T | B | 0.0982 | |
| 93 | S | B | -0.1230 | |
| 94 | Y | B | 0.2481 | |
| 95 | P | B | -0.0235 | |
| 96 | L | B | 0.0000 | |
| 97 | T | B | 0.2428 | |
| 98 | F | B | 0.1534 | |
| 99 | G | B | 0.0000 | |
| 100 | A | B | -0.5516 | |
| 101 | G | B | -0.1290 | |
| 102 | T | B | 0.0000 | |
| 103 | K | B | 0.3231 | |
| 104 | L | B | 0.0000 | |
| 105 | E | B | -0.1859 | |
| 106 | L | B | 0.0000 | |
| 107 | K | B | -1.0677 | |
| 108 | R | B | -1.2180 | |
| 109 | A | B | -1.0172 | |
| 110 | D | B | -2.0102 | |
| 111 | A | B | -1.0310 | |
| 112 | A | B | -0.4438 | |
| 113 | P | B | -0.2792 | |
| 114 | T | B | -0.2702 | |
| 115 | V | B | 0.0000 | |
| 116 | S | B | -0.0761 | |
| 117 | I | B | 0.0000 | |
| 118 | F | B | 0.0000 | |
| 119 | P | B | 0.0000 | |
| 120 | P | B | 0.0000 | |
| 121 | S | B | 0.0000 | |
| 122 | S | B | -1.3480 | |
| 123 | E | B | -1.2844 | |
| 124 | Q | B | 0.0000 | |
| 125 | L | B | -0.5436 | |
| 126 | T | B | -0.6568 | |
| 127 | S | B | -0.7309 | |
| 128 | G | B | -0.9452 | |
| 129 | G | B | -0.8807 | |
| 130 | A | B | 0.0000 | |
| 131 | S | B | 0.0000 | |
| 132 | V | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | C | B | 0.0000 | |
| 135 | F | B | 0.0000 | |
| 136 | L | B | 0.0000 | |
| 137 | N | B | -0.4645 | |
| 138 | N | B | -0.9756 | |
| 139 | F | B | 0.0000 | |
| 140 | Y | B | -1.3531 | |
| 141 | P | B | -1.4642 | |
| 142 | K | B | -1.7890 | |
| 143 | D | B | -2.4454 | |
| 144 | I | B | -1.5860 | |
| 145 | N | B | -2.0039 | |
| 146 | V | B | -0.8954 | |
| 147 | K | B | -1.4575 | |
| 148 | W | B | 0.0000 | |
| 149 | K | B | -2.1185 | |
| 150 | I | B | 0.0000 | |
| 151 | D | B | -2.4528 | |
| 152 | G | B | -1.7214 | |
| 153 | S | B | -1.8826 | |
| 154 | E | B | -3.0104 | |
| 155 | R | B | -2.4572 | |
| 156 | Q | B | -2.3794 | |
| 157 | N | B | -2.0361 | |
| 158 | G | B | -0.9280 | |
| 159 | V | B | -0.6425 | |
| 160 | L | B | -0.5921 | |
| 161 | N | B | -0.9963 | |
| 162 | S | B | -0.2140 | |
| 163 | W | B | 0.0086 | |
| 164 | T | B | -0.4555 | |
| 165 | D | B | -1.2794 | |
| 166 | Q | B | -1.7528 | |
| 167 | D | B | -2.2226 | |
| 168 | S | B | -2.5544 | |
| 169 | K | B | -3.0537 | |
| 170 | D | B | -3.0819 | |
| 171 | S | B | -2.1457 | |
| 172 | T | B | 0.0000 | |
| 173 | Y | B | 0.0000 | |
| 174 | S | B | 0.0000 | |
| 175 | M | B | 0.0000 | |
| 176 | S | B | 0.0000 | |
| 177 | S | B | 0.0000 | |
| 178 | T | B | 0.0000 | |
| 179 | L | B | 0.0000 | |
| 180 | T | B | -0.2267 | |
| 181 | L | B | -0.7973 | |
| 182 | T | B | -1.5208 | |
| 183 | K | B | -2.3185 | |
| 184 | D | B | -3.4025 | |
| 185 | E | B | -2.7817 | |
| 186 | Y | B | 0.0000 | |
| 187 | E | B | -4.3366 | |
| 188 | R | B | -3.9391 | |
| 189 | H | B | -3.1824 | |
| 190 | N | B | -2.9996 | |
| 191 | S | B | -2.0636 | |
| 192 | Y | B | 0.0000 | |
| 193 | T | B | -1.1138 | |
| 194 | C | B | 0.0000 | |
| 195 | E | B | -0.4982 | |
| 196 | A | B | 0.0000 | |
| 197 | T | B | -1.1285 | |
| 198 | H | B | -1.6920 | |
| 199 | K | B | -2.2782 | |
| 200 | T | B | -1.0924 | |
| 201 | S | B | -0.9043 | |
| 202 | T | B | -0.5260 | |
| 203 | S | B | -0.1889 | |
| 204 | P | B | -0.2991 | |
| 205 | I | B | 0.4682 | |
| 206 | V | B | 0.4069 | |
| 207 | K | B | -0.3613 | |
| 208 | S | B | -0.6020 | |
| 209 | F | B | -0.6204 | |
| 210 | N | B | -2.1251 | |
| 211 | R | B | -2.4730 | |
| 212 | N | B | -3.3640 | |
| 213 | E | B | -3.0111 |
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