| Chain sequence(s) |
A: QIVLSQSPAILSASPGEKVTMTCRASSSVSYIHWFQQKPGSSPKPWIYATSNLASGVPVRFSGSGSGTSYSLTISRVEAEDAATYYCQQWTSNPPTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: QVQLQQPGAELVKPGASVKMSCKASGYTFTSYNMHWVKQTPGRGLEWIGAIYPGNGDTSYNQKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYYCARSTYYGGDWYFNVWGAGTTVTVSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:11:01)
[INFO] Main: Simulation completed successfully. (00:11:07)
|
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 | -1.0934 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | 1.0111 | |
| 4 | L | A | 0.0000 | |
| 5 | S | A | -0.6716 | |
| 6 | Q | A | -0.5393 | |
| 7 | S | A | -0.4184 | |
| 8 | P | A | 0.2531 | |
| 9 | A | A | 0.5243 | |
| 10 | I | A | 1.4519 | |
| 11 | L | A | 0.6767 | |
| 12 | S | A | -0.2260 | |
| 13 | A | A | 0.0000 | |
| 14 | S | A | -2.1559 | |
| 15 | P | A | -2.5020 | |
| 16 | G | A | -2.8181 | |
| 17 | E | A | -3.5636 | |
| 18 | K | A | -3.3405 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.4471 | |
| 21 | M | A | 0.0000 | |
| 22 | T | A | -0.7497 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -1.9620 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -0.3689 | |
| 27 | S | A | -0.5180 | |
| 28 | S | A | -0.6970 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -0.2739 | |
| 31 | Y | A | 0.0496 | |
| 32 | I | A | 0.0000 | |
| 33 | H | A | 0.0000 | |
| 34 | W | A | 0.0000 | |
| 35 | F | A | 0.0000 | |
| 36 | Q | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | K | A | -1.4306 | |
| 39 | P | A | -1.1129 | |
| 40 | G | A | -0.7757 | |
| 41 | S | A | -0.7754 | |
| 42 | S | A | -0.5396 | |
| 43 | P | A | 0.0000 | |
| 44 | K | A | -1.2947 | |
| 45 | P | A | 0.0000 | |
| 46 | W | A | -0.3018 | |
| 47 | I | A | 0.0000 | |
| 48 | Y | A | 0.0986 | |
| 49 | A | A | 0.0000 | |
| 50 | T | A | 0.0000 | |
| 51 | S | A | -0.4596 | |
| 52 | N | A | -0.4090 | |
| 53 | L | A | 0.3961 | |
| 54 | A | A | -0.2581 | |
| 55 | S | A | -0.4048 | |
| 56 | G | A | -0.2638 | |
| 57 | V | A | 0.0000 | |
| 58 | P | A | 0.6171 | |
| 59 | V | A | 1.3839 | |
| 60 | R | A | -0.3656 | |
| 61 | F | A | 0.0000 | |
| 62 | S | A | -0.0272 | |
| 63 | G | A | -0.3975 | |
| 64 | S | A | -0.6059 | |
| 65 | G | A | -0.8634 | |
| 66 | S | A | -0.7666 | |
| 67 | G | A | -0.7701 | |
| 68 | T | A | -1.0628 | |
| 69 | S | A | -1.2610 | |
| 70 | Y | A | 0.0000 | |
| 71 | S | A | -0.6417 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -0.7837 | |
| 74 | I | A | 0.0000 | |
| 75 | S | A | -2.1070 | |
| 76 | R | A | -3.4773 | |
| 77 | V | A | 0.0000 | |
| 78 | E | A | -2.7590 | |
| 79 | A | A | -2.3893 | |
| 80 | E | A | -2.5358 | |
| 81 | D | A | 0.0000 | |
| 82 | A | A | -1.6447 | |
| 83 | A | A | 0.0000 | |
| 84 | T | A | -0.2798 | |
| 85 | Y | A | 0.0000 | |
| 86 | Y | A | -0.2188 | |
| 87 | C | A | 0.0000 | |
| 88 | Q | A | 0.0000 | |
| 89 | Q | A | 0.0000 | |
| 90 | W | A | -0.0873 | |
| 91 | T | A | -0.2958 | |
| 92 | S | A | -1.0099 | |
| 93 | N | A | -1.7039 | |
| 94 | P | A | -1.4799 | |
| 95 | P | A | 0.0000 | |
| 96 | T | A | -0.0692 | |
| 97 | F | A | 0.1159 | |
| 98 | G | A | 0.0000 | |
| 99 | G | A | -0.8353 | |
| 100 | G | A | -0.2381 | |
| 101 | T | A | 0.0000 | |
| 102 | K | A | -0.1559 | |
| 103 | L | A | 0.0000 | |
| 104 | E | A | -0.6561 | |
| 105 | I | A | 0.0000 | |
| 106 | K | A | -1.6486 | |
| 107 | R | A | -1.2079 | |
| 108 | T | A | -0.1646 | |
| 109 | V | A | 0.3869 | |
| 110 | A | A | -0.0023 | |
| 111 | A | A | -0.1322 | |
| 112 | P | A | 0.0000 | |
| 113 | S | A | -0.2456 | |
| 114 | V | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | I | A | 0.0000 | |
| 117 | F | A | 0.0000 | |
| 118 | P | A | -0.5859 | |
| 119 | P | A | -0.7555 | |
| 120 | S | A | -1.6949 | |
| 121 | D | A | -2.9090 | |
| 122 | E | A | -2.5496 | |
| 123 | Q | A | 0.0000 | |
| 124 | L | A | -2.1422 | |
| 125 | K | A | -2.6913 | |
| 126 | S | A | -1.6607 | |
| 127 | G | A | -1.2024 | |
| 128 | T | A | -0.9269 | |
| 129 | A | A | 0.0000 | |
| 130 | S | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | C | A | 0.0000 | |
| 134 | L | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | N | A | 0.0000 | |
| 137 | N | A | -0.9176 | |
| 138 | F | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | P | A | -1.3743 | |
| 141 | R | A | -2.1603 | |
| 142 | E | A | -2.8203 | |
| 143 | A | A | -2.1187 | |
| 144 | K | A | -2.3555 | |
| 145 | V | A | -1.0933 | |
| 146 | Q | A | -0.5828 | |
| 147 | W | A | 0.0000 | |
| 148 | K | A | -0.5798 | |
| 149 | V | A | 0.0000 | |
| 150 | D | A | -2.0296 | |
| 151 | N | A | -1.5885 | |
| 152 | A | A | -0.2907 | |
| 153 | L | A | 0.7299 | |
| 154 | Q | A | -0.2962 | |
| 155 | S | A | -0.6488 | |
| 156 | G | A | -1.2667 | |
| 157 | N | A | -1.5721 | |
| 158 | S | A | -1.4097 | |
| 159 | Q | A | -1.3915 | |
| 160 | E | A | -1.5601 | |
| 161 | S | A | -0.7485 | |
| 162 | V | A | -0.4060 | |
| 163 | T | A | -0.9255 | |
| 164 | E | A | -1.9583 | |
| 165 | Q | A | -1.8576 | |
| 166 | D | A | -2.0630 | |
| 167 | S | A | -2.3624 | |
| 168 | K | A | -2.6805 | |
| 169 | D | A | -1.8224 | |
| 170 | S | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | Y | A | 0.0000 | |
| 173 | S | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | T | A | -0.6826 | |
| 178 | L | A | 0.0000 | |
| 179 | T | A | -0.5987 | |
| 180 | L | A | -0.7421 | |
| 181 | S | A | -0.9581 | |
| 182 | K | A | -1.9937 | |
| 183 | A | A | -1.7643 | |
| 184 | D | A | -2.2541 | |
| 185 | Y | A | 0.0000 | |
| 186 | E | A | -3.5895 | |
| 187 | K | A | -3.5938 | |
| 188 | H | A | -2.9850 | |
| 189 | K | A | -3.3257 | |
| 190 | V | A | -1.5158 | |
| 191 | Y | A | 0.0000 | |
| 192 | A | A | 0.0000 | |
| 193 | C | A | 0.0000 | |
| 194 | E | A | -0.8290 | |
| 195 | V | A | 0.0000 | |
| 196 | T | A | -1.2326 | |
| 197 | H | A | 0.0000 | |
| 198 | Q | A | -1.6629 | |
| 199 | G | A | -0.4314 | |
| 200 | L | A | -0.2459 | |
| 201 | S | A | -0.4634 | |
| 202 | S | A | -0.4362 | |
| 203 | P | A | -0.5662 | |
| 204 | V | A | 0.0361 | |
| 205 | T | A | -0.4132 | |
| 206 | K | A | -0.8145 | |
| 207 | S | A | -0.7063 | |
| 208 | F | A | 0.0000 | |
| 209 | N | A | -1.7972 | |
| 210 | R | A | -2.4146 | |
| 211 | G | A | -1.8916 | |
| 212 | E | A | -2.0434 | |
| 213 | C | A | -0.6845 | |
| 1 | Q | B | -1.4322 | |
| 2 | V | B | -0.8394 | |
| 3 | Q | B | -1.6096 | |
| 4 | L | B | 0.0000 | |
| 5 | Q | B | -1.9398 | |
| 6 | Q | B | -1.2103 | |
| 7 | P | B | -0.9595 | |
| 8 | G | B | -0.9331 | |
| 9 | A | B | 0.0000 | |
| 10 | E | B | -0.8697 | |
| 11 | L | B | -0.4947 | |
| 12 | V | B | 0.0000 | |
| 13 | K | B | -1.8988 | |
| 14 | P | B | -1.2643 | |
| 15 | G | B | -1.1238 | |
| 16 | A | B | -0.9417 | |
| 17 | S | B | -1.1374 | |
| 18 | V | B | 0.0000 | |
| 19 | K | B | -1.9127 | |
| 20 | M | B | 0.0000 | |
| 21 | S | B | -0.9182 | |
| 22 | C | B | 0.0000 | |
| 23 | K | B | -1.7561 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -1.1390 | |
| 26 | G | B | -0.9578 | |
| 27 | Y | B | -0.3165 | |
| 28 | T | B | -0.2210 | |
| 29 | F | B | 0.0000 | |
| 30 | T | B | -0.7024 | |
| 31 | S | B | -0.1061 | |
| 32 | Y | B | 0.4079 | |
| 33 | N | B | -0.1671 | |
| 34 | M | B | 0.0000 | |
| 35 | H | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | K | B | 0.0000 | |
| 39 | Q | B | -0.6180 | |
| 40 | T | B | -1.1391 | |
| 41 | P | B | -1.0666 | |
| 42 | G | B | -1.5811 | |
| 43 | R | B | -2.3426 | |
| 44 | G | B | -1.4104 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.8621 | |
| 47 | W | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | A | B | -0.2757 | |
| 51 | I | B | 0.0000 | |
| 52 | Y | B | -0.6730 | |
| 53 | P | B | 0.0000 | |
| 54 | G | B | -1.4171 | |
| 55 | N | B | -2.1363 | |
| 56 | G | B | -2.0230 | |
| 57 | D | B | -2.2989 | |
| 58 | T | B | -1.1067 | |
| 59 | S | B | -0.9131 | |
| 60 | Y | B | -1.1383 | |
| 61 | N | B | 0.0000 | |
| 62 | Q | B | -2.7946 | |
| 63 | K | B | -2.8809 | |
| 64 | F | B | 0.0000 | |
| 65 | K | B | -2.9109 | |
| 66 | G | B | -1.8837 | |
| 67 | K | B | -1.6803 | |
| 68 | A | B | 0.0000 | |
| 69 | T | B | -0.8970 | |
| 70 | L | B | 0.0000 | |
| 71 | T | B | -0.7810 | |
| 72 | A | B | -1.2273 | |
| 73 | D | B | -1.7561 | |
| 74 | K | B | -2.3949 | |
| 75 | S | B | -1.2977 | |
| 76 | S | B | -1.1244 | |
| 77 | S | B | -1.2753 | |
| 78 | T | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | Y | B | -0.5845 | |
| 81 | M | B | 0.0000 | |
| 82 | Q | B | -1.3705 | |
| 83 | L | B | 0.0000 | |
| 84 | S | B | -0.9088 | |
| 85 | S | B | -0.8364 | |
| 86 | L | B | 0.0000 | |
| 87 | T | B | -1.2600 | |
| 88 | S | B | -1.4033 | |
| 89 | E | B | -1.9642 | |
| 90 | D | B | 0.0000 | |
| 91 | S | B | -0.6860 | |
| 92 | A | B | -0.2442 | |
| 93 | V | B | 0.2426 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | R | B | 0.0000 | |
| 99 | S | B | 0.0000 | |
| 100 | T | B | 0.8117 | |
| 101 | Y | B | 1.5466 | |
| 102 | Y | B | 0.8123 | |
| 103 | G | B | -0.0644 | |
| 104 | G | B | -0.0303 | |
| 105 | D | B | 0.4384 | |
| 106 | W | B | 1.0375 | |
| 107 | Y | B | 0.0000 | |
| 108 | F | B | 0.0000 | |
| 109 | N | B | -0.1371 | |
| 110 | V | B | -0.2140 | |
| 111 | W | B | -0.3739 | |
| 112 | G | B | 0.0000 | |
| 113 | A | B | -0.4156 | |
| 114 | G | B | 0.0000 | |
| 115 | T | B | 0.0000 | |
| 116 | T | B | -0.1871 | |
| 117 | V | B | 0.0000 | |
| 118 | T | B | -0.5767 | |
| 119 | V | B | 0.0000 | |
| 120 | S | B | -0.6988 | |
| 121 | A | B | -0.7296 | |
| 122 | S | B | -0.6381 | |
| 123 | T | B | -0.7248 | |
| 124 | K | B | -1.3307 | |
| 125 | G | B | -1.3832 | |
| 126 | P | B | -0.6369 | |
| 127 | S | B | -0.3982 | |
| 128 | V | B | 0.0000 | |
| 129 | F | B | 0.0000 | |
| 130 | P | B | -1.2673 | |
| 131 | L | B | 0.0000 | |
| 132 | A | B | -1.3627 | |
| 133 | P | B | 0.0000 | |
| 134 | S | B | -1.0403 | |
| 135 | S | B | -0.6652 | |
| 136 | K | B | -1.1908 | |
| 137 | S | B | 0.0000 | |
| 138 | T | B | -0.7396 | |
| 139 | S | B | -0.7267 | |
| 140 | G | B | -0.8043 | |
| 141 | G | B | -0.8702 | |
| 142 | T | B | -0.6102 | |
| 143 | A | B | 0.0000 | |
| 144 | A | B | 0.0000 | |
| 145 | L | B | 0.0000 | |
| 146 | G | B | 0.0000 | |
| 147 | C | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | V | B | 0.0000 | |
| 150 | K | B | 0.0000 | |
| 151 | D | B | -0.3563 | |
| 152 | Y | B | 0.0000 | |
| 153 | F | B | -0.1058 | |
| 154 | P | B | 0.0000 | |
| 155 | E | B | -0.3905 | |
| 156 | P | B | -0.6840 | |
| 157 | V | B | -0.5694 | |
| 158 | T | B | -0.6493 | |
| 159 | V | B | -0.1943 | |
| 160 | S | B | -0.4024 | |
| 161 | W | B | 0.0000 | |
| 162 | N | B | -0.7425 | |
| 163 | S | B | -0.6234 | |
| 164 | G | B | -0.5034 | |
| 165 | A | B | -0.2291 | |
| 166 | L | B | 0.0193 | |
| 167 | T | B | -0.1622 | |
| 168 | S | B | -0.1755 | |
| 169 | G | B | -0.2241 | |
| 170 | V | B | 0.1806 | |
| 171 | H | B | -0.2784 | |
| 172 | T | B | 0.0482 | |
| 173 | F | B | 0.0000 | |
| 174 | P | B | -0.2651 | |
| 175 | A | B | 0.2239 | |
| 176 | V | B | 0.4738 | |
| 177 | L | B | 1.1376 | |
| 178 | Q | B | 0.2591 | |
| 179 | S | B | -0.0819 | |
| 180 | S | B | -0.2221 | |
| 181 | G | B | 0.0678 | |
| 182 | L | B | 0.1994 | |
| 183 | Y | B | 0.5002 | |
| 184 | S | B | 0.0000 | |
| 185 | L | B | 0.0000 | |
| 186 | S | B | 0.0000 | |
| 187 | S | B | 0.0000 | |
| 188 | V | B | 0.0000 | |
| 189 | V | B | 0.0000 | |
| 190 | T | B | -0.1329 | |
| 191 | V | B | 0.0000 | |
| 192 | P | B | -0.6118 | |
| 193 | S | B | -0.5780 | |
| 194 | S | B | -0.5808 | |
| 195 | S | B | -0.5604 | |
| 196 | L | B | -0.8237 | |
| 197 | G | B | -0.9610 | |
| 198 | T | B | -0.6702 | |
| 199 | Q | B | -1.1338 | |
| 200 | T | B | -1.1200 | |
| 201 | Y | B | 0.0000 | |
| 202 | I | B | -1.2777 | |
| 203 | C | B | 0.0000 | |
| 204 | N | B | -1.4656 | |
| 205 | V | B | 0.0000 | |
| 206 | N | B | -2.1039 | |
| 207 | H | B | 0.0000 | |
| 208 | K | B | -2.3031 | |
| 209 | P | B | -1.3883 | |
| 210 | S | B | -1.6320 | |
| 211 | N | B | -2.4206 | |
| 212 | T | B | -2.0417 | |
| 213 | K | B | -2.6737 | |
| 214 | V | B | -1.5073 | |
| 215 | D | B | -2.2288 | |
| 216 | K | B | -2.0302 | |
| 217 | R | B | -2.5769 | |
| 218 | V | B | 0.0000 | |
| 219 | E | B | -2.9121 | |
| 220 | P | B | -1.8992 | |
| 221 | K | B | -2.2317 | |
| 222 | S | B | -0.8679 | |
| 223 | C | B | 0.0672 |
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