| Chain sequence(s) |
A: EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSGGTAKLGCLVKDYFAEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP
B: DIQMTQSPSSLSASVGDRVTITCCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCCQQHYTTPPTFGQGTKVEIKRTVAAPSVDIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 (00:09:46)
[INFO] Main: Simulation completed successfully. (00:09:52)
|
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 | -2.1045 | |
| 2 | V | A | -1.3696 | |
| 3 | Q | A | -1.0735 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 1.0199 | |
| 6 | E | A | 0.0000 | |
| 7 | S | A | -0.4088 | |
| 8 | G | A | -0.8839 | |
| 9 | G | A | -0.5251 | |
| 10 | G | A | -0.5712 | |
| 11 | L | A | -0.1496 | |
| 12 | V | A | 0.0000 | |
| 13 | Q | A | -1.6716 | |
| 14 | P | A | -1.7850 | |
| 15 | G | A | -1.4761 | |
| 16 | G | A | -1.1455 | |
| 17 | S | A | -1.0969 | |
| 18 | L | A | -1.1047 | |
| 19 | R | A | -2.0068 | |
| 20 | L | A | 0.0000 | |
| 21 | S | A | -0.3110 | |
| 22 | C | A | 0.0000 | |
| 23 | A | A | -0.0618 | |
| 24 | A | A | -0.5233 | |
| 25 | S | A | -1.1622 | |
| 26 | G | A | -1.4818 | |
| 27 | F | A | -1.5272 | |
| 28 | N | A | -2.5665 | |
| 29 | I | A | 0.0000 | |
| 30 | K | A | -2.9630 | |
| 31 | D | A | -3.1583 | |
| 32 | T | A | 0.0000 | |
| 33 | Y | A | -0.2744 | |
| 34 | I | A | 0.0000 | |
| 35 | H | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -0.8362 | |
| 40 | A | A | -1.2270 | |
| 41 | P | A | -1.2012 | |
| 42 | G | A | -1.4792 | |
| 43 | K | A | -2.4318 | |
| 44 | G | A | -1.7050 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -1.3233 | |
| 47 | W | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | R | A | -0.6556 | |
| 51 | I | A | 0.0000 | |
| 52 | Y | A | -0.3355 | |
| 53 | P | A | 0.0000 | |
| 54 | T | A | -1.1914 | |
| 55 | N | A | -0.8042 | |
| 56 | G | A | -0.4595 | |
| 57 | Y | A | 0.5615 | |
| 58 | T | A | -0.4351 | |
| 59 | R | A | -2.0094 | |
| 60 | Y | A | -1.8737 | |
| 61 | A | A | -1.8822 | |
| 62 | D | A | -2.7871 | |
| 63 | S | A | -1.6478 | |
| 64 | V | A | 0.0000 | |
| 65 | K | A | -2.9507 | |
| 66 | G | A | -1.8182 | |
| 67 | R | A | -1.5648 | |
| 68 | F | A | 0.0000 | |
| 69 | T | A | -1.0710 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.1486 | |
| 72 | A | A | -0.9806 | |
| 73 | D | A | -1.6444 | |
| 74 | T | A | -1.7332 | |
| 75 | S | A | -1.6602 | |
| 76 | K | A | -2.2956 | |
| 77 | N | A | -1.9251 | |
| 78 | T | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | Y | A | -0.5187 | |
| 81 | L | A | 0.0000 | |
| 82 | Q | A | -1.1554 | |
| 83 | M | A | 0.0000 | |
| 84 | N | A | -1.4312 | |
| 85 | S | A | -1.2929 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -2.4480 | |
| 88 | A | A | -1.8297 | |
| 89 | E | A | -2.2865 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.7295 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.1421 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | S | A | 0.0000 | |
| 98 | R | A | -0.2703 | |
| 99 | W | A | 0.0000 | |
| 100 | G | A | 0.0000 | |
| 101 | G | A | -1.6363 | |
| 102 | D | A | -2.1986 | |
| 103 | G | A | -0.9050 | |
| 104 | F | A | 0.5657 | |
| 105 | Y | A | 0.9238 | |
| 106 | A | A | 0.0000 | |
| 107 | M | A | 0.0000 | |
| 108 | D | A | -0.2206 | |
| 109 | Y | A | -0.2635 | |
| 110 | W | A | -0.4457 | |
| 111 | G | A | 0.0000 | |
| 112 | Q | A | -1.3116 | |
| 113 | G | A | -0.5831 | |
| 114 | T | A | -0.0195 | |
| 115 | L | A | 0.2747 | |
| 116 | V | A | 0.0000 | |
| 117 | T | A | -0.4599 | |
| 118 | V | A | 0.0000 | |
| 119 | S | A | -0.7899 | |
| 120 | S | A | -0.6655 | |
| 121 | A | A | -0.5017 | |
| 122 | S | A | -0.6663 | |
| 123 | T | A | -0.8240 | |
| 124 | K | A | -1.4529 | |
| 125 | G | A | -1.5795 | |
| 126 | P | A | -0.6876 | |
| 127 | S | A | -0.4238 | |
| 128 | V | A | 0.0000 | |
| 129 | F | A | 0.0000 | |
| 130 | P | A | -1.0849 | |
| 131 | L | A | 0.0000 | |
| 132 | A | A | -0.7022 | |
| 133 | P | A | 0.0000 | |
| 134 | S | A | -0.5323 | |
| 140 | G | A | -0.7995 | |
| 141 | G | A | -0.8253 | |
| 142 | T | A | -0.6062 | |
| 143 | A | A | -0.4711 | |
| 144 | K | A | -0.4038 | |
| 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 | 0.0000 | |
| 151 | D | A | -0.5331 | |
| 152 | Y | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | E | A | -0.6137 | |
| 156 | P | A | -0.7088 | |
| 157 | V | A | -0.6530 | |
| 158 | T | A | -0.5492 | |
| 159 | V | A | -0.4146 | |
| 160 | S | A | -0.3896 | |
| 161 | W | A | 0.0000 | |
| 162 | N | A | -0.8672 | |
| 163 | S | A | -0.6557 | |
| 164 | G | A | -0.3324 | |
| 165 | A | A | -0.1326 | |
| 166 | L | A | 0.0836 | |
| 167 | T | A | -0.0842 | |
| 168 | S | A | -0.1728 | |
| 169 | G | A | -0.1935 | |
| 170 | V | A | 0.0988 | |
| 171 | H | A | -0.3117 | |
| 172 | T | A | -0.2000 | |
| 173 | F | A | 0.0000 | |
| 174 | P | A | -0.2967 | |
| 175 | A | A | 0.3501 | |
| 176 | V | A | 0.5621 | |
| 177 | L | A | 0.9639 | |
| 178 | Q | A | 0.1572 | |
| 179 | S | A | -0.1364 | |
| 180 | S | A | -0.2465 | |
| 181 | G | A | -0.0136 | |
| 182 | L | A | -0.0138 | |
| 183 | Y | A | 0.3548 | |
| 184 | S | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | T | A | -0.2559 | |
| 191 | V | A | 0.0000 | |
| 192 | P | A | -0.6032 | |
| 193 | S | A | -0.5653 | |
| 194 | S | A | -0.5742 | |
| 195 | S | A | -0.4928 | |
| 196 | L | A | -0.5559 | |
| 197 | G | A | -0.9911 | |
| 198 | T | A | -0.6614 | |
| 199 | Q | A | -1.2174 | |
| 200 | T | A | -1.1593 | |
| 201 | Y | A | 0.0000 | |
| 202 | I | A | -1.4695 | |
| 203 | C | A | 0.0000 | |
| 204 | N | A | -1.5694 | |
| 205 | V | A | 0.0000 | |
| 206 | N | A | -1.8138 | |
| 207 | H | A | 0.0000 | |
| 208 | K | A | -2.7404 | |
| 209 | P | A | -1.7417 | |
| 210 | S | A | -1.9540 | |
| 211 | N | A | -2.4203 | |
| 212 | T | A | -2.2817 | |
| 213 | K | A | -2.7117 | |
| 214 | V | A | -1.8405 | |
| 215 | D | A | -2.7620 | |
| 216 | K | A | -2.5166 | |
| 217 | K | A | -2.6689 | |
| 218 | V | A | 0.0000 | |
| 219 | E | A | -2.0833 | |
| 220 | P | A | -0.9717 | |
| 1 | D | B | -2.1832 | |
| 2 | I | B | -1.8485 | |
| 3 | Q | B | -2.2162 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -1.3853 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.8905 | |
| 8 | P | B | -0.6045 | |
| 9 | S | B | -0.8458 | |
| 10 | S | B | -0.6742 | |
| 11 | L | B | -0.4306 | |
| 12 | S | B | -0.6242 | |
| 13 | A | B | 0.0000 | |
| 14 | S | B | -0.8375 | |
| 15 | V | B | -0.1434 | |
| 16 | G | B | -0.8429 | |
| 17 | D | B | -1.8336 | |
| 18 | R | B | -2.3399 | |
| 19 | V | B | 0.0000 | |
| 20 | T | B | -0.6381 | |
| 21 | I | B | 0.0000 | |
| 22 | T | B | -0.8027 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -2.8068 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -2.1377 | |
| 27 | Q | B | -2.7039 | |
| 28 | D | B | -2.6518 | |
| 29 | V | B | 0.0000 | |
| 30 | N | B | -1.6530 | |
| 31 | T | B | -0.8235 | |
| 32 | A | B | 0.1026 | |
| 33 | V | B | 0.0000 | |
| 34 | A | 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 | -1.7537 | |
| 40 | P | B | -1.4074 | |
| 41 | G | B | -1.5352 | |
| 42 | K | B | -2.5272 | |
| 43 | A | B | -1.6680 | |
| 44 | P | B | 0.0000 | |
| 45 | K | B | -1.8585 | |
| 46 | L | B | 0.0000 | |
| 47 | L | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | Y | B | 1.3587 | |
| 50 | S | B | 0.6925 | |
| 51 | A | B | 0.0000 | |
| 52 | S | B | 0.6873 | |
| 53 | F | B | 2.2017 | |
| 54 | L | B | 1.5036 | |
| 55 | Y | B | 0.6545 | |
| 56 | S | B | 0.0340 | |
| 57 | G | B | -0.4637 | |
| 58 | V | B | 0.0000 | |
| 59 | P | B | -0.3523 | |
| 60 | S | B | -0.4243 | |
| 61 | R | B | -0.8093 | |
| 62 | F | B | 0.0000 | |
| 63 | S | B | 0.1375 | |
| 64 | G | B | 0.0000 | |
| 65 | S | B | -0.6506 | |
| 66 | R | B | -1.7203 | |
| 67 | S | B | -1.3776 | |
| 68 | G | B | -1.8395 | |
| 69 | T | B | -2.2056 | |
| 70 | D | B | -1.9032 | |
| 71 | F | B | 0.0000 | |
| 72 | T | B | -0.7804 | |
| 73 | L | B | 0.0000 | |
| 74 | T | B | -0.6212 | |
| 75 | I | B | 0.0000 | |
| 76 | S | B | -1.4605 | |
| 77 | S | B | -1.3076 | |
| 78 | L | B | 0.0000 | |
| 79 | Q | B | -1.0141 | |
| 80 | P | B | -1.4718 | |
| 81 | E | B | -1.6683 | |
| 82 | D | B | 0.0000 | |
| 83 | F | B | 0.0000 | |
| 84 | A | B | 0.0000 | |
| 85 | T | B | -0.7857 | |
| 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 | H | B | 0.5686 | |
| 92 | Y | B | 0.5699 | |
| 93 | T | B | 0.2326 | |
| 94 | T | B | -0.4536 | |
| 95 | P | B | -1.0095 | |
| 96 | P | B | 0.0000 | |
| 97 | T | B | -0.6837 | |
| 98 | F | B | -0.5692 | |
| 99 | G | B | 0.0000 | |
| 100 | Q | B | -1.9148 | |
| 101 | G | B | 0.0000 | |
| 102 | T | B | 0.0000 | |
| 103 | K | B | -1.3265 | |
| 104 | V | B | 0.0000 | |
| 105 | E | B | -0.9097 | |
| 106 | I | B | 0.0000 | |
| 107 | K | B | -1.0944 | |
| 108 | R | B | -0.5830 | |
| 109 | T | B | 0.2247 | |
| 110 | V | B | 1.0346 | |
| 111 | A | B | 0.1999 | |
| 112 | A | B | 0.0014 | |
| 113 | P | B | 0.0000 | |
| 114 | S | B | -0.2345 | |
| 115 | V | B | 0.0000 | |
| 116 | D | B | -0.6741 | |
| 117 | I | B | 0.0000 | |
| 118 | F | B | 0.0000 | |
| 119 | P | B | -0.5084 | |
| 120 | P | B | -0.7063 | |
| 121 | S | B | -1.3526 | |
| 122 | D | B | -2.5900 | |
| 123 | E | B | -2.3108 | |
| 124 | Q | B | 0.0000 | |
| 125 | L | B | -1.9608 | |
| 126 | K | B | -2.6096 | |
| 127 | S | B | -1.6103 | |
| 128 | G | B | -1.1635 | |
| 129 | T | B | -0.9176 | |
| 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 | L | B | 0.0000 | |
| 136 | L | B | 0.0000 | |
| 137 | N | B | 0.0000 | |
| 138 | N | B | -0.9154 | |
| 139 | F | B | 0.0000 | |
| 140 | Y | B | 0.0000 | |
| 141 | P | B | -1.5839 | |
| 142 | R | B | -2.8842 | |
| 143 | E | B | -3.2769 | |
| 144 | A | B | -2.4377 | |
| 145 | K | B | -2.4991 | |
| 146 | V | B | -1.1521 | |
| 147 | Q | B | -0.7877 | |
| 148 | W | B | 0.0000 | |
| 149 | K | B | -0.7272 | |
| 150 | V | B | 0.0000 | |
| 151 | D | B | -2.2352 | |
| 152 | N | B | -1.7484 | |
| 153 | A | B | -0.3716 | |
| 154 | L | B | 0.6988 | |
| 155 | Q | B | -0.1658 | |
| 156 | S | B | -0.4646 | |
| 157 | G | B | -0.8417 | |
| 158 | N | B | -0.7056 | |
| 159 | S | B | -0.9163 | |
| 160 | Q | B | -1.0541 | |
| 161 | E | B | -1.3557 | |
| 162 | S | B | -0.7338 | |
| 163 | V | B | -0.7286 | |
| 164 | T | B | -1.1321 | |
| 165 | E | B | -1.9311 | |
| 166 | Q | B | 0.0000 | |
| 167 | D | B | -1.9867 | |
| 168 | S | B | -2.0900 | |
| 169 | K | B | -2.5110 | |
| 170 | D | B | -1.8659 | |
| 171 | S | B | 0.0000 | |
| 172 | T | B | 0.0000 | |
| 173 | Y | B | 0.0000 | |
| 174 | S | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | S | B | 0.0000 | |
| 177 | S | B | 0.0000 | |
| 178 | T | B | -0.5028 | |
| 179 | L | B | 0.0000 | |
| 180 | T | B | -0.3901 | |
| 181 | L | B | -0.5977 | |
| 182 | S | B | -1.1332 | |
| 183 | K | B | -1.9167 | |
| 184 | A | B | -1.7466 | |
| 185 | D | B | -2.3024 | |
| 186 | Y | B | 0.0000 | |
| 187 | E | B | -3.1730 | |
| 188 | K | B | -3.4921 | |
| 189 | H | B | -3.0378 | |
| 190 | K | B | -3.0536 | |
| 191 | V | B | -1.5150 | |
| 192 | Y | B | 0.0000 | |
| 193 | A | B | 0.0000 | |
| 194 | C | B | 0.0000 | |
| 195 | E | B | -0.9763 | |
| 196 | V | B | 0.0000 | |
| 197 | T | B | -1.2415 | |
| 198 | H | B | 0.0000 | |
| 199 | Q | B | -1.6398 | |
| 200 | G | B | -0.2743 | |
| 201 | L | B | -0.2116 | |
| 202 | S | B | -0.4672 | |
| 203 | S | B | -0.4053 | |
| 204 | P | B | -0.5864 | |
| 205 | V | B | 0.0359 | |
| 206 | T | B | -0.6013 | |
| 207 | K | B | -0.9815 | |
| 208 | S | B | -0.6743 | |
| 209 | F | B | -0.8897 | |
| 210 | N | B | -1.7701 | |
| 211 | R | B | -2.4335 | |
| 212 | G | B | -2.1013 | |
| 213 | E | B | -2.2913 |
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