| Chain sequence(s) |
A: DIVMTQTPLSLPVTPGEPASISCRSSQSLVHSNGNTYLEWYLQKPGQSPQLLIYKLSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCFQGSHVPFTFGSGTKLEIKGGGGSGGGGSGGGGSVQLVQSGAEVKKPGASVKVSCKASGYTFTDYIMLWVRQAPGQGLEWMGNIDPYYGSTGYALKFKGRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARDGNYGSDYWGQGTTVTVSS
B: AQEVQQSPHCTTVPVGASVNITCSTSGGLRGIYLRQLGPQPQDIIYYEDGVVPTTDRRFRGRIDFSGSQDNLTITMHRLQLSDTGTYTCQAITEVNVYGSGTLVLVTEEQSQGWHRCSDAPPRASALPAPPTGSALPDPQTASALPDPPAASALP 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:49)
[INFO] Main: Simulation completed successfully. (00:04:52)
|
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 | D | A | -1.2681 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | 0.7901 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -0.2799 | |
| 6 | Q | A | 0.0000 | |
| 7 | T | A | 0.0201 | |
| 8 | P | A | 0.4034 | |
| 9 | L | A | 1.1420 | |
| 10 | S | A | 0.0224 | |
| 11 | L | A | -0.2968 | |
| 12 | P | A | -1.1252 | |
| 13 | V | A | 0.0000 | |
| 14 | T | A | -1.6809 | |
| 15 | P | A | -2.0095 | |
| 16 | G | A | -1.8700 | |
| 17 | E | A | -2.3275 | |
| 18 | P | A | -2.2039 | |
| 19 | A | A | 0.0000 | |
| 20 | S | A | -0.8577 | |
| 21 | I | A | 0.0000 | |
| 22 | S | A | -0.9040 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.2239 | |
| 25 | S | A | 0.0000 | |
| 26 | S | A | -0.8037 | |
| 27 | Q | A | -1.0674 | |
| 28 | S | A | -0.6450 | |
| 29 | L | A | 0.0000 | |
| 30 | V | A | 0.3466 | |
| 31 | H | A | -0.3831 | |
| 32 | S | A | -0.7236 | |
| 33 | N | A | -1.3658 | |
| 34 | G | A | -0.8990 | |
| 35 | N | A | -0.6549 | |
| 36 | T | A | -0.2674 | |
| 37 | Y | A | 0.0000 | |
| 38 | L | A | 0.0000 | |
| 39 | E | A | 0.0000 | |
| 40 | W | A | 0.0000 | |
| 41 | Y | A | 0.0000 | |
| 42 | L | A | 0.0000 | |
| 43 | Q | A | -0.9880 | |
| 44 | K | A | -1.8144 | |
| 45 | P | A | -1.2076 | |
| 46 | G | A | -1.5154 | |
| 47 | Q | A | -2.0869 | |
| 48 | S | A | -1.2282 | |
| 49 | P | A | 0.0000 | |
| 50 | Q | A | -0.8181 | |
| 51 | L | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | Y | A | -0.6145 | |
| 55 | K | A | -1.0531 | |
| 56 | L | A | -0.8352 | |
| 57 | S | A | -1.1877 | |
| 58 | N | A | -1.7269 | |
| 59 | R | A | -1.8599 | |
| 60 | F | A | -0.6512 | |
| 61 | S | A | -0.5856 | |
| 62 | G | A | -0.8824 | |
| 63 | V | A | -0.8902 | |
| 64 | P | A | -1.2671 | |
| 65 | D | A | -2.4116 | |
| 66 | R | A | -2.1708 | |
| 67 | F | A | 0.0000 | |
| 68 | S | A | -1.5960 | |
| 69 | G | A | 0.0000 | |
| 70 | S | A | -1.0378 | |
| 71 | G | A | -1.0736 | |
| 72 | S | A | -0.7675 | |
| 73 | G | A | -0.6181 | |
| 74 | T | A | -1.3575 | |
| 75 | D | A | -2.0476 | |
| 76 | F | A | 0.0000 | |
| 77 | T | A | -1.1439 | |
| 78 | L | A | 0.0000 | |
| 79 | K | A | -2.0850 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | -2.4004 | |
| 82 | R | A | -3.2775 | |
| 83 | V | A | 0.0000 | |
| 84 | E | A | -2.2995 | |
| 85 | A | A | -1.6625 | |
| 86 | E | A | -2.4506 | |
| 87 | D | A | 0.0000 | |
| 88 | V | A | -1.0679 | |
| 89 | G | A | 0.0000 | |
| 90 | V | A | -0.2890 | |
| 91 | Y | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | C | A | 0.0000 | |
| 94 | F | A | 0.0000 | |
| 95 | Q | A | 0.0000 | |
| 96 | G | A | 0.0000 | |
| 97 | S | A | 0.0000 | |
| 98 | H | A | -0.6055 | |
| 99 | V | A | -0.3795 | |
| 100 | P | A | -0.4677 | |
| 101 | F | A | 0.0000 | |
| 102 | T | A | 0.0303 | |
| 103 | F | A | 0.3131 | |
| 104 | G | A | 0.0000 | |
| 105 | S | A | -0.0555 | |
| 106 | G | A | 0.0000 | |
| 107 | T | A | 0.0000 | |
| 108 | K | A | -0.8314 | |
| 109 | L | A | 0.0000 | |
| 110 | E | A | -1.7064 | |
| 111 | I | A | -1.8046 | |
| 112 | K | A | -2.3789 | |
| 113 | G | A | -1.7945 | |
| 114 | G | A | -1.7106 | |
| 115 | G | A | -1.3354 | |
| 116 | G | A | -1.6710 | |
| 117 | S | A | -1.2486 | |
| 118 | G | A | -1.6213 | |
| 119 | G | A | -1.6775 | |
| 120 | G | A | -1.7112 | |
| 121 | G | A | -1.6998 | |
| 122 | S | A | -1.0757 | |
| 123 | G | A | -1.2911 | |
| 124 | G | A | -1.2343 | |
| 125 | G | A | -1.2109 | |
| 126 | G | A | -1.0911 | |
| 127 | S | A | -0.9228 | |
| 128 | V | A | -0.7139 | |
| 129 | Q | A | -1.5020 | |
| 130 | L | A | 0.0000 | |
| 131 | V | A | -0.5482 | |
| 132 | Q | A | 0.0000 | |
| 133 | S | A | -0.7926 | |
| 134 | G | A | -0.7295 | |
| 135 | A | A | -0.1213 | |
| 136 | E | A | -0.2907 | |
| 137 | V | A | 0.8264 | |
| 138 | K | A | -0.9577 | |
| 139 | K | A | -2.1229 | |
| 140 | P | A | -2.1381 | |
| 141 | G | A | -1.4823 | |
| 142 | A | A | -1.1815 | |
| 143 | S | A | -1.2944 | |
| 144 | V | A | 0.0000 | |
| 145 | K | A | -2.0030 | |
| 146 | V | A | 0.0000 | |
| 147 | S | A | -0.7947 | |
| 148 | C | A | 0.0000 | |
| 149 | K | A | -1.3672 | |
| 150 | A | A | 0.0000 | |
| 151 | S | A | -0.8764 | |
| 152 | G | A | -0.7837 | |
| 153 | Y | A | -0.2482 | |
| 154 | T | A | -0.1120 | |
| 155 | F | A | 0.0000 | |
| 156 | T | A | 0.0532 | |
| 157 | D | A | -0.0589 | |
| 158 | Y | A | 0.1094 | |
| 159 | I | A | 0.0000 | |
| 160 | M | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | W | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | 0.0000 | |
| 165 | Q | A | -0.6012 | |
| 166 | A | A | -1.0223 | |
| 167 | P | A | -1.0308 | |
| 168 | G | A | -1.2141 | |
| 169 | Q | A | -1.6812 | |
| 170 | G | A | -0.9581 | |
| 171 | L | A | 0.0000 | |
| 172 | E | A | -0.5464 | |
| 173 | W | A | 0.0000 | |
| 174 | M | A | 0.0000 | |
| 175 | G | A | 0.0000 | |
| 176 | N | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | D | A | 0.0000 | |
| 179 | P | A | 0.0000 | |
| 180 | Y | A | 0.3447 | |
| 181 | Y | A | 0.6153 | |
| 182 | G | A | 0.0206 | |
| 183 | S | A | 0.0000 | |
| 184 | T | A | 0.0000 | |
| 185 | G | A | 0.0000 | |
| 186 | Y | A | -0.3792 | |
| 187 | A | A | 0.0000 | |
| 188 | L | A | 0.0020 | |
| 189 | K | A | -1.4310 | |
| 190 | F | A | 0.0000 | |
| 191 | K | A | -1.5577 | |
| 192 | G | A | -1.2975 | |
| 193 | R | A | -1.2338 | |
| 194 | V | A | 0.0000 | |
| 195 | T | A | -0.8132 | |
| 196 | M | A | 0.0000 | |
| 197 | T | A | -0.5708 | |
| 198 | R | A | -1.0428 | |
| 199 | D | A | -1.2215 | |
| 200 | T | A | -0.6703 | |
| 201 | S | A | -0.5614 | |
| 202 | T | A | -0.7027 | |
| 203 | S | A | -0.8085 | |
| 204 | T | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | Y | A | -0.8273 | |
| 207 | M | A | 0.0000 | |
| 208 | E | A | -1.4615 | |
| 209 | L | A | 0.0000 | |
| 210 | S | A | -1.0405 | |
| 211 | S | A | -1.0658 | |
| 212 | L | A | 0.0000 | |
| 213 | R | A | -2.7712 | |
| 214 | S | A | -2.2455 | |
| 215 | E | A | -2.4613 | |
| 216 | D | A | 0.0000 | |
| 217 | T | A | -0.8729 | |
| 218 | A | A | 0.0000 | |
| 219 | V | A | 0.1694 | |
| 220 | Y | A | 0.0000 | |
| 221 | Y | A | 0.0000 | |
| 222 | C | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | R | A | 0.0000 | |
| 225 | D | A | 0.0000 | |
| 226 | G | A | 0.0000 | |
| 227 | N | A | 0.1240 | |
| 228 | Y | A | 0.1090 | |
| 229 | G | A | 0.0000 | |
| 230 | S | A | 0.0000 | |
| 231 | D | A | 0.0000 | |
| 232 | Y | A | -0.0262 | |
| 233 | W | A | -0.3257 | |
| 234 | G | A | 0.0000 | |
| 235 | Q | A | -1.4363 | |
| 236 | G | A | -0.6590 | |
| 237 | T | A | 0.0000 | |
| 238 | T | A | -0.0328 | |
| 239 | V | A | 0.0000 | |
| 240 | T | A | -0.3419 | |
| 241 | V | A | 0.0000 | |
| 242 | S | A | -0.8638 | |
| 243 | S | A | -1.1619 | |
| 1 | A | B | -0.5786 | |
| 2 | Q | B | -1.5043 | |
| 3 | E | B | -2.4095 | |
| 4 | V | B | 0.0000 | |
| 5 | Q | B | -1.9426 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.4987 | |
| 8 | P | B | 0.0000 | |
| 9 | H | B | 0.0000 | |
| 10 | C | B | 0.0000 | |
| 11 | T | B | 0.0000 | |
| 12 | T | B | 0.0000 | |
| 13 | V | B | 0.0000 | |
| 14 | P | B | -0.8728 | |
| 15 | V | B | -0.4870 | |
| 16 | G | B | -1.1722 | |
| 17 | A | B | 0.0000 | |
| 18 | S | B | -0.7759 | |
| 19 | V | B | 0.0000 | |
| 20 | N | B | -0.9830 | |
| 21 | I | B | 0.0000 | |
| 22 | T | B | -0.7619 | |
| 23 | C | B | 0.0000 | |
| 24 | S | B | -1.8146 | |
| 25 | T | B | -1.9184 | |
| 26 | S | B | -1.7450 | |
| 27 | G | B | -1.3370 | |
| 28 | G | B | -1.5255 | |
| 29 | L | B | -1.5893 | |
| 30 | R | B | -2.3741 | |
| 31 | G | B | 0.0000 | |
| 32 | I | B | 0.0000 | |
| 33 | Y | B | 0.0612 | |
| 34 | L | B | 0.0000 | |
| 35 | R | B | -0.6058 | |
| 36 | Q | B | 0.0000 | |
| 37 | L | B | -0.4441 | |
| 38 | G | B | -1.0487 | |
| 39 | P | B | -1.2447 | |
| 40 | Q | B | -1.5373 | |
| 41 | P | B | -1.2286 | |
| 42 | Q | B | -1.2723 | |
| 43 | D | B | -1.4257 | |
| 44 | I | B | 0.0000 | |
| 45 | I | B | 0.0000 | |
| 46 | Y | B | 0.3038 | |
| 47 | Y | B | 0.2054 | |
| 48 | E | B | -0.6164 | |
| 49 | D | B | -1.2262 | |
| 50 | G | B | 0.0007 | |
| 51 | V | B | 1.6365 | |
| 52 | V | B | 2.1221 | |
| 53 | P | B | 0.8628 | |
| 54 | T | B | -0.0590 | |
| 55 | T | B | -1.3932 | |
| 56 | D | B | -2.1249 | |
| 57 | R | B | -3.0666 | |
| 58 | R | B | -2.1645 | |
| 59 | F | B | 0.0000 | |
| 60 | R | B | -3.1482 | |
| 61 | G | B | -2.2498 | |
| 62 | R | B | -2.1077 | |
| 63 | I | B | -1.6067 | |
| 64 | D | B | -1.9500 | |
| 65 | F | B | -0.6355 | |
| 66 | S | B | -0.8930 | |
| 67 | G | B | -1.2326 | |
| 68 | S | B | -1.5134 | |
| 69 | Q | B | -1.9309 | |
| 70 | D | B | -2.5895 | |
| 71 | N | B | -2.3118 | |
| 72 | L | B | 0.0000 | |
| 73 | T | B | -1.0301 | |
| 74 | I | B | 0.0000 | |
| 75 | T | B | -0.9312 | |
| 76 | M | B | 0.0000 | |
| 77 | H | B | -1.7391 | |
| 78 | R | B | -2.2307 | |
| 79 | L | B | 0.0000 | |
| 80 | Q | B | -0.9473 | |
| 81 | L | B | 0.1799 | |
| 82 | S | B | -0.0327 | |
| 83 | D | B | 0.0000 | |
| 84 | T | B | -0.1697 | |
| 85 | G | B | -0.2152 | |
| 86 | T | B | -0.1296 | |
| 87 | Y | B | 0.0000 | |
| 88 | T | B | 0.0000 | |
| 89 | C | B | 0.0000 | |
| 90 | Q | B | 0.0000 | |
| 91 | A | B | 0.0000 | |
| 92 | I | B | -0.3395 | |
| 93 | T | B | -0.8680 | |
| 94 | E | B | -1.2417 | |
| 95 | V | B | 0.7990 | |
| 96 | N | B | 0.4076 | |
| 97 | V | B | 0.0061 | |
| 98 | Y | B | -0.2814 | |
| 99 | G | B | 0.0000 | |
| 100 | S | B | -0.8815 | |
| 101 | G | B | 0.0000 | |
| 102 | T | B | 0.0000 | |
| 103 | L | B | 0.0000 | |
| 104 | V | B | 0.0000 | |
| 105 | L | B | 0.0000 | |
| 106 | V | B | 0.0000 | |
| 107 | T | B | 0.0000 | |
| 108 | E | B | -2.8435 | |
| 109 | E | B | -3.3356 | |
| 110 | Q | B | -2.3384 | |
| 111 | S | B | -1.6732 | |
| 112 | Q | B | -2.4659 | |
| 113 | G | B | -1.4963 | |
| 114 | W | B | 0.0000 | |
| 115 | H | B | 0.0000 | |
| 116 | R | B | 0.0000 | |
| 117 | C | B | 0.0000 | |
| 118 | S | B | 0.0000 | |
| 119 | D | B | -0.3723 | |
| 120 | A | B | -0.4808 | |
| 121 | P | B | -0.6985 | |
| 122 | P | B | -1.2051 | |
| 123 | R | B | -1.8534 | |
| 124 | A | B | -0.6296 | |
| 125 | S | B | -0.3500 | |
| 126 | A | B | 0.3399 | |
| 127 | L | B | 1.1203 | |
| 128 | P | B | 0.4052 | |
| 129 | A | B | 0.3145 | |
| 130 | P | B | -0.2919 | |
| 131 | P | B | -0.6008 | |
| 132 | T | B | -0.5243 | |
| 133 | G | B | -0.4573 | |
| 134 | S | B | -0.0741 | |
| 135 | A | B | 0.1933 | |
| 136 | L | B | 0.8057 | |
| 137 | P | B | -0.6714 | |
| 138 | D | B | -1.9739 | |
| 139 | P | B | -1.5399 | |
| 140 | Q | B | -1.9311 | |
| 141 | T | B | -1.0267 | |
| 142 | A | B | -0.2162 | |
| 143 | S | B | 0.0294 | |
| 144 | A | B | 0.3690 | |
| 145 | L | B | 0.9072 | |
| 146 | P | B | -0.5033 | |
| 147 | D | B | -1.6902 | |
| 148 | P | B | -1.0577 | |
| 149 | P | B | -0.8737 | |
| 150 | A | B | -0.4388 | |
| 151 | A | B | 0.1165 | |
| 152 | S | B | 0.2213 | |
| 153 | A | B | 0.6652 | |
| 154 | L | B | 1.4031 | |
| 155 | P | B | 0.4725 |
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