| Chain sequence(s) |
A: QVQLVQSGGGVVQPGRSLRLSCKASGYTFTRYTMHWVRQAPGKGLEWIGYINPSRGYTNYNQKVKDRFTISRDNSKNTAFLQMDSLRPEDTGVYFCARYYDDHYSLDYWGQGTPVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC
B: DIQMTQSPSSLSASVGDRVTITCSASSSVSYMNWYQQTPGKAPKRWIYDTSKLASGVPSRFSGSGSGTDYTFTISSLQPEDIATYYCQQWSSNPFTFGQGTKLQITRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| 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 minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:07:06)
[INFO] Main: Simulation completed successfully. (00:07:11)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | Q | A | -1.4538 | |
| 2 | V | A | -0.9691 | |
| 3 | Q | A | -1.1707 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 0.3224 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.7341 | |
| 8 | G | A | -1.0615 | |
| 9 | G | A | -0.7630 | |
| 10 | G | A | 0.0000 | |
| 11 | V | A | -0.1792 | |
| 12 | V | A | 0.0000 | |
| 13 | Q | A | -1.9733 | |
| 14 | P | A | -2.2959 | |
| 15 | G | A | -2.2616 | |
| 16 | R | A | -2.8449 | |
| 17 | S | A | -2.1893 | |
| 18 | L | A | -1.5927 | |
| 19 | R | A | -2.0322 | |
| 20 | L | A | 0.0000 | |
| 21 | S | A | -0.5384 | |
| 22 | C | A | 0.0000 | |
| 23 | K | A | -1.4493 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -0.8275 | |
| 26 | G | A | -0.8825 | |
| 27 | Y | A | -0.7059 | |
| 28 | T | A | -0.8208 | |
| 29 | F | A | 0.0000 | |
| 30 | T | A | -1.4383 | |
| 31 | R | A | -1.8899 | |
| 32 | Y | A | 0.0000 | |
| 33 | T | A | -0.6061 | |
| 34 | M | A | 0.0000 | |
| 35 | H | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | -0.6450 | |
| 39 | Q | A | -1.0111 | |
| 40 | A | A | -1.2498 | |
| 41 | P | A | -1.0699 | |
| 42 | G | A | -1.5242 | |
| 43 | K | A | -2.3756 | |
| 44 | G | A | -1.6107 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -1.2475 | |
| 47 | W | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | Y | A | 0.2074 | |
| 51 | I | A | 0.0000 | |
| 52 | N | A | -1.1030 | |
| 53 | P | A | -1.4307 | |
| 54 | S | A | -1.5744 | |
| 55 | R | A | -2.0104 | |
| 56 | G | A | -1.1666 | |
| 57 | Y | A | -0.2773 | |
| 58 | T | A | -0.2400 | |
| 59 | N | A | 0.0000 | |
| 60 | Y | A | -1.4639 | |
| 61 | N | A | 0.0000 | |
| 62 | Q | A | -3.2583 | |
| 63 | K | A | -3.0715 | |
| 64 | V | A | 0.0000 | |
| 65 | K | A | -3.4690 | |
| 66 | D | A | -3.3152 | |
| 67 | R | A | -2.2815 | |
| 68 | F | A | 0.0000 | |
| 69 | T | A | -1.0249 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.3324 | |
| 72 | R | A | -1.2261 | |
| 73 | D | A | -1.8420 | |
| 74 | N | A | -2.0519 | |
| 75 | S | A | -1.7809 | |
| 76 | K | A | -2.7638 | |
| 77 | N | A | -2.3766 | |
| 78 | T | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | F | A | -0.4295 | |
| 81 | L | A | 0.0000 | |
| 82 | Q | A | -1.1086 | |
| 83 | M | A | 0.0000 | |
| 84 | D | A | -2.1341 | |
| 85 | S | A | -2.0048 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -2.8651 | |
| 88 | P | A | -2.0452 | |
| 89 | E | A | -2.4600 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.9087 | |
| 92 | G | A | 0.0000 | |
| 93 | V | A | 0.1240 | |
| 94 | Y | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | R | A | 0.0000 | |
| 99 | Y | A | -0.4152 | |
| 100 | Y | A | -1.2214 | |
| 101 | D | A | -2.2454 | |
| 102 | D | A | -2.4851 | |
| 103 | H | A | -1.4540 | |
| 104 | Y | A | -0.3560 | |
| 105 | S | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | D | A | 0.0000 | |
| 108 | Y | A | -0.3640 | |
| 109 | W | A | 0.0000 | |
| 110 | G | A | 0.0000 | |
| 111 | Q | A | -0.9583 | |
| 112 | G | A | 0.0000 | |
| 113 | T | A | 0.0000 | |
| 114 | P | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | T | A | -0.5411 | |
| 117 | V | A | 0.0000 | |
| 118 | S | A | -1.0221 | |
| 119 | S | A | -0.6007 | |
| 120 | A | A | -0.3763 | |
| 121 | S | A | -0.4805 | |
| 122 | T | A | -0.4235 | |
| 123 | K | A | -1.0701 | |
| 124 | G | A | -1.2007 | |
| 125 | P | A | 0.0000 | |
| 126 | S | A | -0.6978 | |
| 127 | V | A | 0.0000 | |
| 128 | F | A | -0.7467 | |
| 129 | P | A | -1.1814 | |
| 130 | L | A | 0.0000 | |
| 131 | A | A | -0.9083 | |
| 132 | P | A | 0.0000 | |
| 133 | S | A | 0.0000 | |
| 134 | S | A | -0.6640 | |
| 135 | K | A | -1.2255 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | -0.7417 | |
| 138 | S | A | -0.6748 | |
| 139 | G | A | -0.7920 | |
| 140 | G | A | -0.8543 | |
| 141 | T | A | -0.6021 | |
| 142 | A | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | G | A | 0.0000 | |
| 146 | C | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | V | A | 0.0000 | |
| 149 | K | A | -0.3864 | |
| 150 | D | A | -0.6228 | |
| 151 | Y | A | 0.0000 | |
| 152 | F | A | -0.1676 | |
| 153 | P | A | 0.0000 | |
| 154 | E | A | -0.4269 | |
| 155 | P | A | -0.5607 | |
| 156 | V | A | 0.0000 | |
| 157 | T | A | -0.9057 | |
| 158 | V | A | 0.0000 | |
| 159 | S | A | -0.5083 | |
| 160 | W | A | 0.0000 | |
| 161 | N | A | -0.7243 | |
| 162 | S | A | -0.6898 | |
| 163 | G | A | -0.6280 | |
| 164 | A | A | -0.2815 | |
| 165 | L | A | -0.0452 | |
| 166 | T | A | -0.2337 | |
| 167 | S | A | -0.4209 | |
| 168 | G | A | -0.2365 | |
| 169 | V | A | 0.0670 | |
| 170 | H | A | -0.4102 | |
| 171 | T | A | -0.2267 | |
| 172 | F | A | 0.0000 | |
| 173 | P | A | -0.3465 | |
| 174 | A | A | 0.1473 | |
| 175 | V | A | 0.5844 | |
| 176 | L | A | 1.1393 | |
| 177 | Q | A | 0.1701 | |
| 178 | S | A | -0.1309 | |
| 179 | S | A | -0.2695 | |
| 180 | G | A | -0.0791 | |
| 181 | L | A | 0.1371 | |
| 182 | Y | A | 0.4173 | |
| 183 | S | A | 0.1469 | |
| 184 | L | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | V | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | T | A | -0.1169 | |
| 190 | V | A | 0.0000 | |
| 191 | P | A | -0.6277 | |
| 192 | S | A | -0.5596 | |
| 193 | S | A | -0.6091 | |
| 194 | S | A | -0.6445 | |
| 195 | L | A | -0.8579 | |
| 196 | G | A | -1.0535 | |
| 197 | T | A | -0.7801 | |
| 198 | Q | A | -1.3097 | |
| 199 | T | A | -1.0709 | |
| 200 | Y | A | 0.0000 | |
| 201 | I | A | -1.0300 | |
| 202 | C | A | 0.0000 | |
| 203 | N | A | -1.5504 | |
| 204 | V | A | 0.0000 | |
| 205 | N | A | -1.7387 | |
| 206 | H | A | 0.0000 | |
| 207 | K | A | -1.4221 | |
| 208 | P | A | 0.0000 | |
| 209 | S | A | -1.3753 | |
| 210 | N | A | -2.0912 | |
| 211 | T | A | -1.7736 | |
| 212 | K | A | -2.5369 | |
| 213 | V | A | -1.5853 | |
| 214 | D | A | -2.4535 | |
| 215 | K | A | -1.8388 | |
| 216 | K | A | -2.1238 | |
| 217 | V | A | 0.0000 | |
| 218 | E | A | -2.4052 | |
| 219 | P | A | -1.0548 | |
| 220 | K | A | -0.9373 | |
| 221 | S | A | -0.5032 | |
| 222 | C | A | 0.2675 | |
| 1 | D | B | -2.6157 | |
| 2 | I | B | 0.0000 | |
| 3 | Q | B | -1.7334 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -0.8343 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.4515 | |
| 8 | P | B | -0.5951 | |
| 9 | S | B | -0.9374 | |
| 10 | S | B | -1.0431 | |
| 11 | L | B | -0.5070 | |
| 12 | S | B | -0.5181 | |
| 13 | A | B | -0.6771 | |
| 14 | S | B | -0.4616 | |
| 15 | V | B | 0.0127 | |
| 16 | G | B | -0.7850 | |
| 17 | D | B | -1.9685 | |
| 18 | R | B | -2.4916 | |
| 19 | V | B | 0.0000 | |
| 20 | T | B | -0.6434 | |
| 21 | I | B | 0.0000 | |
| 22 | T | B | -0.5428 | |
| 23 | C | B | 0.0000 | |
| 24 | S | B | -1.1963 | |
| 25 | A | B | -1.0706 | |
| 26 | S | B | -1.2299 | |
| 27 | S | B | -1.0635 | |
| 28 | S | B | -0.7839 | |
| 29 | V | B | 0.0000 | |
| 30 | S | B | -0.4292 | |
| 31 | Y | B | -0.4630 | |
| 32 | M | B | 0.0000 | |
| 33 | N | B | 0.0000 | |
| 34 | W | B | 0.0000 | |
| 35 | Y | B | 0.0000 | |
| 36 | Q | B | -0.6008 | |
| 37 | Q | B | -1.0931 | |
| 38 | T | B | -1.2778 | |
| 39 | P | B | -1.3040 | |
| 40 | G | B | -1.5754 | |
| 41 | K | B | -2.2982 | |
| 42 | A | B | -1.2973 | |
| 43 | P | B | 0.0000 | |
| 44 | K | B | -0.8966 | |
| 45 | R | B | 0.0000 | |
| 46 | W | B | 0.0000 | |
| 47 | I | B | 0.0000 | |
| 48 | Y | B | 0.0000 | |
| 49 | D | B | -1.1565 | |
| 50 | T | B | -0.9746 | |
| 51 | S | B | -1.1991 | |
| 52 | K | B | -1.6633 | |
| 53 | L | B | -0.5300 | |
| 54 | A | B | 0.0000 | |
| 55 | S | B | -0.5277 | |
| 56 | G | B | -0.5114 | |
| 57 | V | B | -0.2340 | |
| 58 | P | B | -0.4252 | |
| 59 | S | B | -0.3735 | |
| 60 | R | B | -0.7225 | |
| 61 | F | B | 0.0000 | |
| 62 | S | B | -0.6227 | |
| 63 | G | B | -0.6751 | |
| 64 | S | B | -1.0275 | |
| 65 | G | B | -1.1201 | |
| 66 | S | B | -1.0832 | |
| 67 | G | B | -1.0409 | |
| 68 | T | B | -1.2910 | |
| 69 | D | B | -2.1346 | |
| 70 | Y | B | 0.0000 | |
| 71 | T | B | -0.6971 | |
| 72 | F | B | 0.0000 | |
| 73 | T | B | -0.6092 | |
| 74 | I | B | 0.0000 | |
| 75 | S | B | -1.4323 | |
| 76 | S | B | -1.3133 | |
| 77 | L | B | 0.0000 | |
| 78 | Q | B | -1.4636 | |
| 79 | P | B | -1.8388 | |
| 80 | E | B | -2.5753 | |
| 81 | D | B | 0.0000 | |
| 82 | I | B | 0.0000 | |
| 83 | A | B | 0.0000 | |
| 84 | T | B | 0.0000 | |
| 85 | Y | B | 0.0000 | |
| 86 | Y | B | 0.0000 | |
| 87 | C | B | 0.0000 | |
| 88 | Q | B | 0.0000 | |
| 89 | Q | B | 0.0000 | |
| 90 | W | B | -0.0371 | |
| 91 | S | B | -0.5897 | |
| 92 | S | B | -1.3008 | |
| 93 | N | B | -1.9074 | |
| 94 | P | B | -1.8391 | |
| 95 | F | B | -0.8071 | |
| 96 | T | B | -0.9446 | |
| 97 | F | B | 0.0000 | |
| 98 | G | B | 0.0000 | |
| 99 | Q | B | -1.5881 | |
| 100 | G | B | 0.0000 | |
| 101 | T | B | 0.0000 | |
| 102 | K | B | -1.9563 | |
| 103 | L | B | 0.0000 | |
| 104 | Q | B | -0.9034 | |
| 105 | I | B | 0.0000 | |
| 106 | T | B | -0.1975 | |
| 107 | R | B | -0.3086 | |
| 108 | T | B | 0.2207 | |
| 109 | V | B | 0.7711 | |
| 110 | A | B | 0.2573 | |
| 111 | A | B | -0.0031 | |
| 112 | P | B | 0.0000 | |
| 113 | S | B | -0.2313 | |
| 114 | V | B | 0.0000 | |
| 115 | F | B | 0.0000 | |
| 116 | I | B | 0.0000 | |
| 117 | F | B | 0.0000 | |
| 118 | P | B | 0.0000 | |
| 119 | P | B | 0.0000 | |
| 120 | S | B | 0.0000 | |
| 121 | D | B | -2.4133 | |
| 122 | E | B | -2.8158 | |
| 123 | Q | B | 0.0000 | |
| 124 | L | B | -2.0943 | |
| 125 | K | B | -2.7796 | |
| 126 | S | B | -1.7587 | |
| 127 | G | B | -1.5653 | |
| 128 | T | B | -1.2605 | |
| 129 | A | B | 0.0000 | |
| 130 | S | B | 0.0000 | |
| 131 | V | B | 0.0000 | |
| 132 | V | B | 0.0000 | |
| 133 | C | B | 0.0000 | |
| 134 | L | B | 0.0000 | |
| 135 | L | B | 0.0000 | |
| 136 | N | B | 0.0000 | |
| 137 | N | B | -1.0117 | |
| 138 | F | B | 0.0000 | |
| 139 | Y | B | -0.6198 | |
| 140 | P | B | -1.2082 | |
| 141 | R | B | -2.5227 | |
| 142 | E | B | -2.8867 | |
| 143 | A | B | 0.0000 | |
| 144 | K | B | -2.4922 | |
| 145 | V | B | -1.2470 | |
| 146 | Q | B | -0.8999 | |
| 147 | W | B | 0.0000 | |
| 148 | K | B | -0.5916 | |
| 149 | V | B | 0.0000 | |
| 150 | D | B | -2.0333 | |
| 151 | N | B | -1.6215 | |
| 152 | A | B | -0.2867 | |
| 153 | L | B | 0.7599 | |
| 154 | Q | B | -0.0980 | |
| 155 | S | B | -0.5030 | |
| 156 | G | B | -0.9233 | |
| 157 | N | B | -0.9678 | |
| 158 | S | B | -1.0429 | |
| 159 | Q | B | -0.9703 | |
| 160 | E | B | -1.4936 | |
| 161 | S | B | -0.8239 | |
| 162 | V | B | -1.1492 | |
| 163 | T | B | -1.0311 | |
| 164 | E | B | -1.9403 | |
| 165 | Q | B | 0.0000 | |
| 166 | D | B | -2.3940 | |
| 167 | S | B | -2.5631 | |
| 168 | K | B | -2.9343 | |
| 169 | D | B | -2.0155 | |
| 170 | S | B | 0.0000 | |
| 171 | T | B | 0.0000 | |
| 172 | Y | B | 0.0000 | |
| 173 | S | B | 0.0000 | |
| 174 | L | B | 0.0000 | |
| 175 | S | B | 0.0000 | |
| 176 | S | B | 0.0000 | |
| 177 | T | B | -0.4871 | |
| 178 | L | B | 0.0000 | |
| 179 | T | B | -0.5605 | |
| 180 | L | B | 0.0000 | |
| 181 | S | B | -1.3780 | |
| 182 | K | B | -2.2622 | |
| 183 | A | B | -1.9032 | |
| 184 | D | B | -2.6485 | |
| 185 | Y | B | 0.0000 | |
| 186 | E | B | -3.6164 | |
| 187 | K | B | -3.5102 | |
| 188 | H | B | -2.9773 | |
| 189 | K | B | -2.7911 | |
| 190 | V | B | -1.4501 | |
| 191 | Y | B | 0.0000 | |
| 192 | A | B | 0.0000 | |
| 193 | C | B | 0.0000 | |
| 194 | E | B | -1.0341 | |
| 195 | V | B | 0.0000 | |
| 196 | T | B | -1.2379 | |
| 197 | H | B | 0.0000 | |
| 198 | Q | B | -1.6093 | |
| 199 | G | B | -0.2856 | |
| 200 | L | B | -0.1906 | |
| 201 | S | B | -0.4216 | |
| 202 | S | B | -0.4219 | |
| 203 | P | B | -0.4338 | |
| 204 | V | B | -0.0554 | |
| 205 | T | B | -0.4768 | |
| 206 | K | B | -0.8751 | |
| 207 | S | B | -0.8655 | |
| 208 | F | B | 0.0000 | |
| 209 | N | B | -1.6192 | |
| 210 | R | B | -2.0212 | |
| 211 | G | B | -1.6638 | |
| 212 | E | B | -1.5336 | |
| 213 | C | B | -0.5303 |
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