| Chain sequence(s) |
A: DIQLTQSPSTLSASVGDRVTITCQSSESVYGNYLAWFQQKPGKAPKFLIYEASKLESGVPSRFSGSGSGTEFTLTISSLQPDDFATYYCAGGDISEGVAFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: EVQLVESGGGLVQPGGSLRLSCAASGIDLNSYYMTWVRQAPGKGLEWIGFIDAGGDAYYASWAKGRFTISRDNSKNTVYLQMNSLRAEDTAVYFCARDLDLWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT 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 (00:04:33)
[INFO] Main: Simulation completed successfully. (00:04:36)
|
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 | D | A | -2.6116 | |
| 2 | I | A | -2.0664 | |
| 3 | Q | A | -2.1160 | |
| 4 | L | A | 0.0000 | |
| 5 | T | A | -1.0554 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.6187 | |
| 8 | P | A | -0.5299 | |
| 9 | S | A | -0.7405 | |
| 10 | T | A | -0.6533 | |
| 11 | L | A | -0.4220 | |
| 12 | S | A | -0.8411 | |
| 13 | A | A | 0.0000 | |
| 14 | S | A | -0.5762 | |
| 15 | V | A | 0.2831 | |
| 16 | G | A | -0.7304 | |
| 17 | D | A | -1.6185 | |
| 18 | R | A | -2.2685 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.6135 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.7719 | |
| 23 | C | A | 0.0000 | |
| 24 | Q | A | -2.1009 | |
| 25 | S | A | -1.9673 | |
| 26 | S | A | -2.1147 | |
| 27 | E | A | -2.5374 | |
| 28 | S | A | -1.2496 | |
| 29 | V | A | 0.0000 | |
| 30 | Y | A | 0.6030 | |
| 31 | G | A | -0.2755 | |
| 32 | N | A | -0.6502 | |
| 33 | Y | A | 0.0532 | |
| 34 | L | A | 0.0000 | |
| 35 | A | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | Q | A | 0.0000 | |
| 39 | Q | A | 0.0000 | |
| 40 | K | A | -2.1625 | |
| 41 | P | A | -1.7793 | |
| 42 | G | A | -1.7140 | |
| 43 | K | A | -2.7507 | |
| 44 | A | A | -1.7860 | |
| 45 | P | A | 0.0000 | |
| 46 | K | A | -1.9852 | |
| 47 | F | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | Y | A | -0.4325 | |
| 51 | E | A | -0.9949 | |
| 52 | A | A | 0.0000 | |
| 53 | S | A | -1.2608 | |
| 54 | K | A | -1.6652 | |
| 55 | L | A | -0.5453 | |
| 56 | E | A | -1.0201 | |
| 57 | S | A | -0.7197 | |
| 58 | G | A | -0.5777 | |
| 59 | V | A | -0.4368 | |
| 60 | P | A | -0.3722 | |
| 61 | S | A | -0.4278 | |
| 62 | R | A | -0.8372 | |
| 63 | F | A | 0.0000 | |
| 64 | S | A | -0.5565 | |
| 65 | G | A | -0.6326 | |
| 66 | S | A | -1.1671 | |
| 67 | G | A | -1.4260 | |
| 68 | S | A | -1.1532 | |
| 69 | G | A | -1.2064 | |
| 70 | T | A | -1.8372 | |
| 71 | E | A | -2.6279 | |
| 72 | F | A | 0.0000 | |
| 73 | T | A | -0.8145 | |
| 74 | L | A | 0.0000 | |
| 75 | T | A | -0.6089 | |
| 76 | I | A | 0.0000 | |
| 77 | S | A | -1.3414 | |
| 78 | S | A | -1.1342 | |
| 79 | L | A | 0.0000 | |
| 80 | Q | A | -0.9792 | |
| 81 | P | A | -0.9283 | |
| 82 | D | A | -1.9283 | |
| 83 | D | A | 0.0000 | |
| 84 | F | A | -0.5938 | |
| 85 | A | A | 0.0000 | |
| 86 | T | A | -0.8950 | |
| 87 | Y | A | 0.0000 | |
| 88 | Y | A | 0.0000 | |
| 89 | C | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | G | A | 0.0000 | |
| 92 | G | A | 0.0000 | |
| 93 | D | A | -0.4876 | |
| 94 | I | A | 0.5338 | |
| 95 | S | A | -0.8433 | |
| 96 | E | A | -1.9039 | |
| 97 | G | A | 0.0000 | |
| 98 | V | A | 0.0000 | |
| 99 | A | A | -0.8216 | |
| 100 | F | A | 0.0000 | |
| 101 | G | A | 0.0000 | |
| 102 | G | A | -1.2235 | |
| 103 | G | A | 0.0000 | |
| 104 | T | A | 0.0000 | |
| 105 | K | A | -1.4926 | |
| 106 | V | A | 0.0000 | |
| 107 | E | A | 0.0000 | |
| 108 | I | A | -0.5936 | |
| 109 | K | A | -1.4476 | |
| 110 | R | A | -1.1255 | |
| 111 | T | A | -0.1695 | |
| 112 | V | A | 0.2978 | |
| 113 | A | A | -0.0028 | |
| 114 | A | A | -0.0877 | |
| 115 | P | A | 0.0000 | |
| 116 | S | A | -0.1930 | |
| 117 | V | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | F | A | 0.0000 | |
| 121 | P | A | -0.5794 | |
| 122 | P | A | -0.8673 | |
| 123 | S | A | -1.9306 | |
| 124 | D | A | -3.2507 | |
| 125 | E | A | -3.2768 | |
| 126 | Q | A | 0.0000 | |
| 127 | L | A | -2.3538 | |
| 128 | K | A | -2.9435 | |
| 129 | S | A | -1.8338 | |
| 130 | G | A | -1.3020 | |
| 131 | T | A | -1.0419 | |
| 132 | A | A | 0.0000 | |
| 133 | S | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | V | A | 0.0000 | |
| 136 | C | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | N | A | 0.0000 | |
| 140 | N | A | -0.7863 | |
| 141 | F | A | 0.0000 | |
| 142 | Y | A | 0.0000 | |
| 143 | P | A | -1.6959 | |
| 144 | R | A | -2.8331 | |
| 145 | E | A | -3.0903 | |
| 146 | A | A | -2.1783 | |
| 147 | K | A | -2.2333 | |
| 148 | V | A | -1.0442 | |
| 149 | Q | A | -0.7112 | |
| 150 | W | A | 0.0000 | |
| 151 | K | A | -0.5827 | |
| 152 | V | A | 0.0000 | |
| 153 | D | A | -1.8657 | |
| 154 | N | A | -1.5034 | |
| 155 | A | A | -0.2473 | |
| 156 | L | A | 0.6733 | |
| 157 | Q | A | -0.3281 | |
| 158 | S | A | -0.6721 | |
| 159 | G | A | -1.2683 | |
| 160 | N | A | -1.5799 | |
| 161 | S | A | -1.4119 | |
| 162 | Q | A | -1.3413 | |
| 163 | E | A | -1.5313 | |
| 164 | S | A | -0.8565 | |
| 165 | V | A | -0.7924 | |
| 166 | T | A | -1.1836 | |
| 167 | E | A | -2.2407 | |
| 168 | Q | A | -1.7785 | |
| 169 | D | A | -1.8242 | |
| 170 | S | A | -1.6422 | |
| 171 | K | A | -2.2066 | |
| 172 | D | A | -1.6278 | |
| 173 | S | A | -1.6516 | |
| 174 | T | A | 0.0000 | |
| 175 | Y | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | S | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | T | A | -0.6633 | |
| 181 | L | A | 0.0000 | |
| 182 | T | A | -0.6386 | |
| 183 | L | A | -0.7606 | |
| 184 | S | A | -0.9804 | |
| 185 | K | A | -1.9972 | |
| 186 | A | A | -1.7533 | |
| 187 | D | A | -2.3125 | |
| 188 | Y | A | 0.0000 | |
| 189 | E | A | -3.2973 | |
| 190 | K | A | -3.4727 | |
| 191 | H | A | -2.8556 | |
| 192 | K | A | -3.1378 | |
| 193 | V | A | -1.3647 | |
| 194 | Y | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | E | A | -0.6468 | |
| 198 | V | A | 0.0000 | |
| 199 | T | A | -1.1483 | |
| 200 | H | A | 0.0000 | |
| 201 | Q | A | -1.7086 | |
| 202 | G | A | -0.4154 | |
| 203 | L | A | -0.2317 | |
| 204 | S | A | -0.4527 | |
| 205 | S | A | -0.4144 | |
| 206 | P | A | -0.5499 | |
| 207 | V | A | 0.1103 | |
| 208 | T | A | -0.3222 | |
| 209 | K | A | -0.6216 | |
| 210 | S | A | -0.6046 | |
| 211 | F | A | 0.0000 | |
| 212 | N | A | -1.7290 | |
| 213 | R | A | -2.3340 | |
| 214 | G | A | -1.8335 | |
| 215 | E | A | -2.0320 | |
| 216 | C | A | -0.9445 | |
| 1 | E | B | -1.8754 | |
| 2 | V | B | -1.0099 | |
| 3 | Q | B | -0.8960 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.4632 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.5001 | |
| 8 | G | B | -0.8729 | |
| 9 | G | B | -0.3756 | |
| 10 | G | B | 0.1025 | |
| 11 | L | B | 0.2878 | |
| 12 | V | B | 0.0000 | |
| 13 | Q | B | -1.6590 | |
| 14 | P | B | -1.8834 | |
| 15 | G | B | -1.5764 | |
| 16 | G | B | -1.1704 | |
| 17 | S | B | -1.4063 | |
| 18 | L | B | -1.2091 | |
| 19 | R | B | -2.2017 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.5619 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.3227 | |
| 24 | A | B | -0.5972 | |
| 25 | S | B | -0.9087 | |
| 26 | G | B | -1.1898 | |
| 27 | I | B | -1.0980 | |
| 28 | D | B | -2.2578 | |
| 29 | L | B | 0.0000 | |
| 30 | N | B | -1.8634 | |
| 31 | S | B | -0.8228 | |
| 32 | Y | B | -0.2871 | |
| 33 | Y | B | 0.0128 | |
| 34 | M | B | 0.0000 | |
| 35 | T | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.7490 | |
| 40 | A | B | -1.1422 | |
| 41 | P | B | -0.9279 | |
| 42 | G | B | -1.5033 | |
| 43 | K | B | -2.2872 | |
| 44 | G | B | -1.4808 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -1.1564 | |
| 47 | W | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | F | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | D | B | -0.8277 | |
| 53 | A | B | -0.9067 | |
| 54 | G | B | -1.2277 | |
| 55 | G | B | -1.6654 | |
| 56 | D | B | -2.0510 | |
| 57 | A | B | -1.0268 | |
| 58 | Y | B | -0.5539 | |
| 59 | Y | B | -0.6461 | |
| 60 | A | B | 0.0000 | |
| 61 | S | B | -0.9134 | |
| 62 | W | B | -0.3059 | |
| 63 | A | B | 0.0000 | |
| 64 | K | B | -1.8820 | |
| 65 | G | B | -1.5093 | |
| 66 | R | B | -1.3883 | |
| 67 | F | B | 0.0000 | |
| 68 | T | B | -0.9106 | |
| 69 | I | B | 0.0000 | |
| 70 | S | B | -0.8465 | |
| 71 | R | B | -1.5282 | |
| 72 | D | B | -1.8939 | |
| 73 | N | B | -2.7539 | |
| 74 | S | B | -1.9474 | |
| 75 | K | B | -2.7432 | |
| 76 | N | B | -2.3210 | |
| 77 | T | B | -1.4251 | |
| 78 | V | B | 0.0000 | |
| 79 | Y | B | -0.6740 | |
| 80 | L | B | 0.0000 | |
| 81 | Q | B | -1.4721 | |
| 82 | M | B | 0.0000 | |
| 83 | N | B | -1.5250 | |
| 84 | S | B | -1.4100 | |
| 85 | L | B | 0.0000 | |
| 86 | R | B | -2.9333 | |
| 87 | A | B | -2.0061 | |
| 88 | E | B | -2.4191 | |
| 89 | D | B | 0.0000 | |
| 90 | T | B | -0.7140 | |
| 91 | A | B | 0.0000 | |
| 92 | V | B | 0.4691 | |
| 93 | Y | B | 0.0000 | |
| 94 | F | B | 0.0000 | |
| 95 | C | B | 0.0000 | |
| 96 | A | B | 0.0000 | |
| 97 | R | B | -0.4270 | |
| 98 | D | B | -0.7503 | |
| 99 | L | B | 0.0000 | |
| 100 | D | B | -1.0116 | |
| 101 | L | B | -0.5098 | |
| 102 | W | B | 0.0000 | |
| 103 | G | B | 0.0000 | |
| 104 | Q | B | -1.3708 | |
| 105 | G | B | 0.0000 | |
| 106 | T | B | 0.1241 | |
| 107 | L | B | 0.5346 | |
| 108 | V | B | 0.0000 | |
| 109 | T | B | 0.0000 | |
| 110 | V | B | 0.0000 | |
| 111 | S | B | -1.0314 | |
| 112 | S | B | -0.8682 | |
| 113 | A | B | -0.4737 | |
| 114 | S | B | -0.5523 | |
| 115 | T | B | -0.5517 | |
| 116 | K | B | -1.1456 | |
| 117 | G | B | -1.3834 | |
| 118 | P | B | 0.0000 | |
| 119 | S | B | -0.4455 | |
| 120 | V | B | 0.0000 | |
| 121 | F | B | 0.0000 | |
| 122 | P | B | -1.3133 | |
| 123 | L | B | 0.0000 | |
| 124 | A | B | -1.3496 | |
| 125 | P | B | 0.0000 | |
| 126 | S | B | -1.0379 | |
| 127 | S | B | -0.6835 | |
| 128 | K | B | -1.2045 | |
| 129 | S | B | 0.0000 | |
| 130 | T | B | -0.7463 | |
| 131 | S | B | -0.7179 | |
| 132 | G | B | -0.7916 | |
| 133 | G | B | -0.8617 | |
| 134 | T | B | -0.6002 | |
| 135 | A | B | 0.0000 | |
| 136 | A | B | 0.0000 | |
| 137 | L | B | 0.0000 | |
| 138 | G | B | 0.0000 | |
| 139 | C | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | V | B | 0.0000 | |
| 142 | K | B | 0.0000 | |
| 143 | D | B | -0.3861 | |
| 144 | Y | B | 0.0000 | |
| 145 | F | B | 0.0000 | |
| 146 | P | B | -0.5841 | |
| 147 | E | B | -0.4500 | |
| 148 | P | B | -0.8500 | |
| 149 | V | B | -0.7881 | |
| 150 | T | B | -0.7077 | |
| 151 | V | B | -0.2428 | |
| 152 | S | B | -0.4358 | |
| 153 | W | B | 0.0000 | |
| 154 | N | B | -0.7102 | |
| 155 | S | B | -0.6499 | |
| 156 | G | B | -0.4857 | |
| 157 | A | B | -0.2240 | |
| 158 | L | B | 0.0258 | |
| 159 | T | B | -0.1605 | |
| 160 | S | B | -0.1762 | |
| 161 | G | B | -0.2003 | |
| 162 | V | B | 0.1763 | |
| 163 | H | B | -0.2975 | |
| 164 | T | B | 0.0215 | |
| 165 | F | B | 0.0000 | |
| 166 | P | B | -0.4386 | |
| 167 | A | B | 0.1798 | |
| 168 | V | B | 0.4805 | |
| 169 | L | B | 1.1201 | |
| 170 | Q | B | 0.2751 | |
| 171 | S | B | -0.0545 | |
| 172 | S | B | -0.1860 | |
| 173 | G | B | 0.0266 | |
| 174 | L | B | 0.1059 | |
| 175 | Y | B | 0.3666 | |
| 176 | S | B | 0.0000 | |
| 177 | L | B | 0.0000 | |
| 178 | S | B | 0.0000 | |
| 179 | S | B | 0.0000 | |
| 180 | V | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | T | B | -0.1310 | |
| 183 | V | B | 0.0000 | |
| 184 | P | B | -0.6019 | |
| 185 | S | B | -0.5653 | |
| 186 | S | B | -0.5716 | |
| 187 | S | B | -0.5466 | |
| 188 | L | B | -0.7532 | |
| 189 | G | B | -0.9284 | |
| 190 | T | B | -0.6620 | |
| 191 | Q | B | -1.1066 | |
| 192 | T | B | -1.0168 | |
| 193 | Y | B | 0.0000 | |
| 194 | I | B | -1.1350 | |
| 195 | C | B | 0.0000 | |
| 196 | N | B | -1.5275 | |
| 197 | V | B | 0.0000 | |
| 198 | N | B | -2.3138 | |
| 199 | H | B | 0.0000 | |
| 200 | K | B | -2.8334 | |
| 201 | P | B | -1.6521 | |
| 202 | S | B | -1.8637 | |
| 203 | N | B | -2.6317 | |
| 204 | T | B | -2.1481 | |
| 205 | K | B | -2.8319 | |
| 206 | V | B | -1.6253 | |
| 207 | D | B | -2.4884 | |
| 208 | K | B | -1.9944 | |
| 209 | K | B | -2.2705 | |
| 210 | V | B | 0.0000 | |
| 211 | E | B | -2.8104 | |
| 212 | P | B | -1.8678 | |
| 213 | K | B | -2.4560 | |
| 214 | S | B | -1.7034 | |
| 215 | C | B | -1.3347 | |
| 216 | D | B | -2.6620 | |
| 217 | K | B | -2.7872 | |
| 218 | T | B | -1.8879 | |
| 219 | H | B | -1.9244 | |
| 220 | T | B | -1.1824 |
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