| Chain sequence(s) |
A: DIVMTQSPLSLPVSLGDQASISCRSSQSIVHSNGNTYLEWYLQKPGQSPKLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYYCFQGSHVPFTFGSGTKLEIKGGGGSGGGGSGGGGSVQLQQSGPELVKPGASVKISCKASGYSFTDYIMLWVKQSHGQSLEWIGNIDPYYGSTGYNLKFKGRATLTVDKSSSTAYMQLNSLTSEDSAVYYCARDGNYGSDYWGQGTTVTVSS
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 (00:04:16)
[INFO] Main: Simulation completed successfully. (00:04:20)
|
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 | -1.2635 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | 0.7562 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -0.3244 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.1573 | |
| 8 | P | A | 0.3615 | |
| 9 | L | A | 1.1066 | |
| 10 | S | A | 0.1414 | |
| 11 | L | A | -0.1658 | |
| 12 | P | A | -1.0476 | |
| 13 | V | A | 0.0000 | |
| 14 | S | A | -0.8533 | |
| 15 | L | A | -0.1190 | |
| 16 | G | A | -1.3152 | |
| 17 | D | A | -1.9988 | |
| 18 | Q | A | -2.4930 | |
| 19 | A | A | 0.0000 | |
| 20 | S | A | -0.9662 | |
| 21 | I | A | 0.0000 | |
| 22 | S | A | -0.8921 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.2349 | |
| 25 | S | A | 0.0000 | |
| 26 | S | A | -0.8078 | |
| 27 | Q | A | -1.1144 | |
| 28 | S | A | -0.7432 | |
| 29 | I | A | 0.0000 | |
| 30 | V | A | 0.1202 | |
| 31 | H | A | -0.5093 | |
| 32 | S | A | -0.7979 | |
| 33 | N | A | -1.3062 | |
| 34 | G | A | -0.9411 | |
| 35 | N | A | -0.7097 | |
| 36 | T | A | -0.3088 | |
| 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 | 0.0000 | |
| 44 | K | A | -1.6288 | |
| 45 | P | A | -1.1329 | |
| 46 | G | A | -1.2525 | |
| 47 | Q | A | -1.6923 | |
| 48 | S | A | -1.1377 | |
| 49 | P | A | 0.0000 | |
| 50 | K | A | -1.7317 | |
| 51 | L | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | Y | A | -0.2819 | |
| 55 | K | A | -0.6339 | |
| 56 | V | A | -0.5677 | |
| 57 | S | A | -0.8377 | |
| 58 | N | A | -1.0804 | |
| 59 | R | A | -1.6180 | |
| 60 | F | A | -0.6846 | |
| 61 | S | A | -0.5909 | |
| 62 | G | A | -0.9117 | |
| 63 | V | A | 0.0000 | |
| 64 | P | A | -1.3067 | |
| 65 | D | A | -2.2018 | |
| 66 | R | A | -2.1523 | |
| 67 | F | A | 0.0000 | |
| 68 | S | A | -1.4288 | |
| 69 | G | A | 0.0000 | |
| 70 | S | A | -0.9178 | |
| 71 | G | A | -1.0460 | |
| 72 | S | A | -0.7972 | |
| 73 | G | A | -0.7014 | |
| 74 | T | A | -1.3916 | |
| 75 | D | A | -2.0316 | |
| 76 | F | A | 0.0000 | |
| 77 | T | A | -1.0856 | |
| 78 | L | A | 0.0000 | |
| 79 | K | A | -2.0220 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | -2.5108 | |
| 82 | R | A | -2.9633 | |
| 83 | V | A | 0.0000 | |
| 84 | E | A | -2.0311 | |
| 85 | A | A | -1.3159 | |
| 86 | E | A | -2.4682 | |
| 87 | D | A | 0.0000 | |
| 88 | L | A | -1.0268 | |
| 89 | G | A | 0.0000 | |
| 90 | V | A | 0.0000 | |
| 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 | -0.6056 | |
| 99 | V | A | -0.2306 | |
| 100 | P | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | T | A | -0.0555 | |
| 103 | F | A | 0.0000 | |
| 104 | G | A | 0.0000 | |
| 105 | S | A | -0.1090 | |
| 106 | G | A | 0.0000 | |
| 107 | T | A | 0.0000 | |
| 108 | K | A | -0.7980 | |
| 109 | L | A | 0.0000 | |
| 110 | E | A | -1.0826 | |
| 111 | I | A | -1.0165 | |
| 112 | K | A | -1.9359 | |
| 113 | G | A | -1.6078 | |
| 114 | G | A | -1.4570 | |
| 115 | G | A | -1.3105 | |
| 116 | G | A | -1.3464 | |
| 117 | S | A | -1.0306 | |
| 118 | G | A | -1.6595 | |
| 119 | G | A | -1.5939 | |
| 120 | G | A | -1.6697 | |
| 121 | G | A | -1.6016 | |
| 122 | S | A | -1.0527 | |
| 123 | G | A | -1.3818 | |
| 124 | G | A | -1.1348 | |
| 125 | G | A | -1.1002 | |
| 126 | G | A | -0.8720 | |
| 127 | S | A | -0.7246 | |
| 128 | V | A | -0.6245 | |
| 129 | Q | A | -1.3484 | |
| 130 | L | A | 0.0000 | |
| 131 | Q | A | -2.0899 | |
| 132 | Q | A | 0.0000 | |
| 133 | S | A | -1.1748 | |
| 134 | G | A | -1.0539 | |
| 135 | P | A | -0.4117 | |
| 136 | E | A | -0.2672 | |
| 137 | L | A | 0.8848 | |
| 138 | V | A | -0.2456 | |
| 139 | K | A | -1.6271 | |
| 140 | P | A | -1.6184 | |
| 141 | G | A | -1.3036 | |
| 142 | A | A | -1.1112 | |
| 143 | S | A | -1.4040 | |
| 144 | V | A | 0.0000 | |
| 145 | K | A | -1.7009 | |
| 146 | I | A | 0.0000 | |
| 147 | S | A | -0.8428 | |
| 148 | C | A | 0.0000 | |
| 149 | K | A | -1.7401 | |
| 150 | A | A | 0.0000 | |
| 151 | S | A | -0.9325 | |
| 152 | G | A | -0.6407 | |
| 153 | Y | A | -0.2097 | |
| 154 | S | A | -0.3513 | |
| 155 | F | A | 0.0000 | |
| 156 | T | A | -0.0960 | |
| 157 | D | A | 0.0000 | |
| 158 | Y | A | 0.1783 | |
| 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 | K | A | -0.4222 | |
| 165 | Q | A | 0.0000 | |
| 166 | S | A | -1.2267 | |
| 167 | H | A | -1.6236 | |
| 168 | G | A | -1.3047 | |
| 169 | Q | A | -1.2611 | |
| 170 | S | A | -0.9576 | |
| 171 | L | A | 0.0000 | |
| 172 | E | A | -0.7882 | |
| 173 | W | A | 0.0000 | |
| 174 | I | 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 | 0.2794 | |
| 181 | Y | A | 0.6038 | |
| 182 | G | A | -0.1017 | |
| 183 | S | A | -0.1902 | |
| 184 | T | A | -0.2875 | |
| 185 | G | A | 0.0000 | |
| 186 | Y | A | -0.5136 | |
| 187 | N | A | 0.0000 | |
| 188 | L | A | -0.1351 | |
| 189 | K | A | -1.6021 | |
| 190 | F | A | 0.0000 | |
| 191 | K | A | -1.9581 | |
| 192 | G | A | -1.6880 | |
| 193 | R | A | -1.8817 | |
| 194 | A | A | 0.0000 | |
| 195 | T | A | -1.0101 | |
| 196 | L | A | 0.0000 | |
| 197 | T | A | -0.2882 | |
| 198 | V | A | -0.6265 | |
| 199 | D | A | -1.5511 | |
| 200 | K | A | -1.9689 | |
| 201 | S | A | -1.2006 | |
| 202 | S | A | -1.1002 | |
| 203 | S | A | -1.2341 | |
| 204 | T | A | 0.0000 | |
| 205 | A | A | 0.0000 | |
| 206 | Y | A | -0.4219 | |
| 207 | M | A | 0.0000 | |
| 208 | Q | A | -1.4064 | |
| 209 | L | A | 0.0000 | |
| 210 | N | A | -1.9151 | |
| 211 | S | A | -1.3055 | |
| 212 | L | A | 0.0000 | |
| 213 | T | A | -1.3891 | |
| 214 | S | A | -1.4476 | |
| 215 | E | A | -2.0787 | |
| 216 | D | A | 0.0000 | |
| 217 | S | A | -0.7100 | |
| 218 | A | A | 0.0000 | |
| 219 | V | A | -0.0871 | |
| 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 | 0.0908 | |
| 228 | Y | A | 0.2521 | |
| 229 | G | A | 0.0000 | |
| 230 | S | A | 0.0000 | |
| 231 | D | A | -0.1815 | |
| 232 | Y | A | -0.1726 | |
| 233 | W | A | -0.6310 | |
| 234 | G | A | 0.0000 | |
| 235 | Q | A | -1.6852 | |
| 236 | G | A | -0.9439 | |
| 237 | T | A | 0.0000 | |
| 238 | T | A | -0.1722 | |
| 239 | V | A | 0.0000 | |
| 240 | T | A | -0.1652 | |
| 241 | V | A | 0.0000 | |
| 242 | S | A | -0.5274 | |
| 243 | S | A | -0.8671 | |
| 1 | A | B | -0.3747 | |
| 2 | Q | B | -1.2120 | |
| 3 | E | B | -2.2510 | |
| 4 | V | B | 0.0000 | |
| 5 | Q | B | -1.9128 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.4640 | |
| 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 | -1.2987 | |
| 15 | V | B | -0.8777 | |
| 16 | G | B | -1.3050 | |
| 17 | A | B | 0.0000 | |
| 18 | S | B | -0.7724 | |
| 19 | V | B | 0.0000 | |
| 20 | N | B | -0.7915 | |
| 21 | I | B | 0.0000 | |
| 22 | T | B | -0.8624 | |
| 23 | C | B | 0.0000 | |
| 24 | S | B | -1.8295 | |
| 25 | T | B | -1.8873 | |
| 26 | S | B | -1.6770 | |
| 27 | G | B | -1.2738 | |
| 28 | G | B | -1.4397 | |
| 29 | L | B | -1.5185 | |
| 30 | R | B | -2.3837 | |
| 31 | G | B | 0.0000 | |
| 32 | I | B | 0.0000 | |
| 33 | Y | B | 0.0532 | |
| 34 | L | B | 0.0000 | |
| 35 | R | B | -0.6416 | |
| 36 | Q | B | -0.9114 | |
| 37 | L | B | 0.0000 | |
| 38 | G | B | -1.0913 | |
| 39 | P | B | -1.1187 | |
| 40 | Q | B | -1.5866 | |
| 41 | P | B | -1.2368 | |
| 42 | Q | B | -1.2438 | |
| 43 | D | B | -1.1512 | |
| 44 | I | B | 0.0000 | |
| 45 | I | B | 0.0000 | |
| 46 | Y | B | 0.3704 | |
| 47 | Y | B | 0.1381 | |
| 48 | E | B | -0.7255 | |
| 49 | D | B | -1.3608 | |
| 50 | G | B | -0.0824 | |
| 51 | V | B | 1.5561 | |
| 52 | V | B | 2.0832 | |
| 53 | P | B | 0.8171 | |
| 54 | T | B | 0.0034 | |
| 55 | T | B | -1.2547 | |
| 56 | D | B | 0.0000 | |
| 57 | R | B | -2.8853 | |
| 58 | R | B | -2.1647 | |
| 59 | F | B | 0.0000 | |
| 60 | R | B | -3.1057 | |
| 61 | G | B | -2.2338 | |
| 62 | R | B | -2.1219 | |
| 63 | I | B | -1.5782 | |
| 64 | D | B | -1.9549 | |
| 65 | F | B | -0.6786 | |
| 66 | S | B | -0.9061 | |
| 67 | G | B | -1.2386 | |
| 68 | S | B | -1.5373 | |
| 69 | Q | B | -1.9500 | |
| 70 | D | B | -2.5445 | |
| 71 | N | B | -2.2821 | |
| 72 | L | B | 0.0000 | |
| 73 | T | B | -1.0034 | |
| 74 | I | B | 0.0000 | |
| 75 | T | B | -0.8891 | |
| 76 | M | B | 0.0000 | |
| 77 | H | B | -1.7427 | |
| 78 | R | B | -2.2917 | |
| 79 | L | B | 0.0000 | |
| 80 | Q | B | -0.9779 | |
| 81 | L | B | 0.2246 | |
| 82 | S | B | -0.0178 | |
| 83 | D | B | 0.0000 | |
| 84 | T | B | -0.0164 | |
| 85 | G | B | -0.2401 | |
| 86 | T | B | -0.2248 | |
| 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 | -0.5311 | |
| 93 | T | B | -1.0148 | |
| 94 | E | B | -1.3705 | |
| 95 | V | B | 0.5517 | |
| 96 | N | B | -0.3168 | |
| 97 | V | B | -0.2153 | |
| 98 | Y | B | -0.3861 | |
| 99 | G | B | -0.6552 | |
| 100 | S | B | -0.6416 | |
| 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 | -3.0089 | |
| 109 | E | B | -3.6052 | |
| 110 | Q | B | -2.7899 | |
| 111 | S | B | -1.7016 | |
| 112 | Q | B | -2.5752 | |
| 113 | G | B | -1.5015 | |
| 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 | -0.2925 | |
| 120 | A | B | -0.4151 | |
| 121 | P | B | -0.7624 | |
| 122 | P | B | -1.2398 | |
| 123 | R | B | -1.9496 | |
| 124 | A | B | -1.0002 | |
| 125 | S | B | -0.7970 | |
| 126 | A | B | -0.3239 | |
| 127 | L | B | -0.1454 | |
| 128 | P | B | -0.1473 | |
| 129 | A | B | -0.2770 | |
| 130 | P | B | -0.4566 | |
| 131 | P | B | -0.5644 | |
| 132 | T | B | -0.5020 | |
| 133 | G | B | -0.4538 | |
| 134 | S | B | -0.0815 | |
| 135 | A | B | 0.1958 | |
| 136 | L | B | 0.8063 | |
| 137 | P | B | -0.6689 | |
| 138 | D | B | -1.9667 | |
| 139 | P | B | -1.5452 | |
| 140 | Q | B | -1.9236 | |
| 141 | T | B | -1.0287 | |
| 142 | A | B | -0.2126 | |
| 143 | S | B | 0.0285 | |
| 144 | A | B | 0.3677 | |
| 145 | L | B | 0.9043 | |
| 146 | P | B | -0.4963 | |
| 147 | D | B | -1.6888 | |
| 148 | P | B | -1.0555 | |
| 149 | P | B | -0.8712 | |
| 150 | A | B | -0.4345 | |
| 151 | A | B | 0.1249 | |
| 152 | S | B | 0.2392 | |
| 153 | A | B | 0.6685 | |
| 154 | L | B | 1.4009 | |
| 155 | P | B | 0.4763 |
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