| Chain sequence(s) |
A: TGEVQLVQSGAEVKKPGSSVKVSCKASGGTFNRYTVNWVRQAPGQGLEWMGGIIPIFGTANYAQRFQGRLTITADESTSTAYMELSSLRSDDTAVYFCARENLDNSGTYYYFSGWFDPWGQGTLVTVSSQSALTQPRSVSGSPGQSVTISCTGTSSDIGGYNFVSWYQQHPGKAPKLMIYDATKRPSGVPDRFSGSKSGNTASLTISGLQAEDEADYYCCSYAGDYTPGVVFGGGTKLTVLG
B: SKLEEILKQIEEQYDFMKSWLGYEELKKEAEKAGEKAKEKFKELAEKKSLNEATKEVSREIYKDFVDLFEKQVKLDE 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 (00:11:53)
[INFO] Main: Simulation completed successfully. (00:11:57)
|
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 | T | A | -0.6250 | |
| 2 | G | A | -1.3935 | |
| 3 | E | A | -2.6104 | |
| 4 | V | A | -1.8165 | |
| 5 | Q | A | -1.8551 | |
| 6 | L | A | 0.0000 | |
| 7 | V | A | 0.1285 | |
| 8 | Q | A | 0.0000 | |
| 9 | S | A | -0.5075 | |
| 10 | G | A | -0.5821 | |
| 11 | A | A | 0.3418 | |
| 12 | E | A | 0.4141 | |
| 13 | V | A | 0.6815 | |
| 14 | K | A | -1.0934 | |
| 15 | K | A | -2.3375 | |
| 16 | P | A | -2.5312 | |
| 17 | G | A | -1.5560 | |
| 18 | S | A | -1.2278 | |
| 19 | S | A | -1.2214 | |
| 20 | V | A | 0.0000 | |
| 21 | K | A | -0.8526 | |
| 22 | V | A | 0.0000 | |
| 23 | S | A | -0.2398 | |
| 24 | C | A | 0.0000 | |
| 25 | K | A | -0.6555 | |
| 26 | A | A | -0.8401 | |
| 27 | S | A | -1.0101 | |
| 28 | G | A | -1.3418 | |
| 29 | G | A | 0.0000 | |
| 30 | T | A | -0.7556 | |
| 31 | F | A | -0.8860 | |
| 32 | N | A | -1.6876 | |
| 33 | R | A | -0.7839 | |
| 34 | Y | A | -0.0109 | |
| 35 | T | A | 0.0000 | |
| 36 | V | A | 0.0000 | |
| 37 | N | A | 0.0000 | |
| 38 | W | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | R | A | -0.5071 | |
| 41 | Q | A | -0.7469 | |
| 42 | A | A | -1.0954 | |
| 43 | P | A | -0.9932 | |
| 44 | G | A | -1.3292 | |
| 45 | Q | A | -1.8068 | |
| 46 | G | A | -1.1102 | |
| 47 | L | A | -0.0431 | |
| 48 | E | A | -0.9638 | |
| 49 | W | A | -0.2613 | |
| 50 | M | A | 0.0000 | |
| 51 | G | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | P | A | -0.0782 | |
| 56 | I | A | 0.7244 | |
| 57 | F | A | 1.8393 | |
| 58 | G | A | 0.3235 | |
| 59 | T | A | 0.2874 | |
| 60 | A | A | -0.1776 | |
| 61 | N | A | -0.8876 | |
| 62 | Y | A | -1.0205 | |
| 63 | A | A | -1.5793 | |
| 64 | Q | A | -2.5380 | |
| 65 | R | A | -2.9862 | |
| 66 | F | A | 0.0000 | |
| 67 | Q | A | -2.9111 | |
| 68 | G | A | -2.4710 | |
| 69 | R | A | -2.8104 | |
| 70 | L | A | 0.0000 | |
| 71 | T | A | -0.9818 | |
| 72 | I | A | 0.0000 | |
| 73 | T | A | -0.3636 | |
| 74 | A | A | -0.9116 | |
| 75 | D | A | -2.0968 | |
| 76 | E | A | -2.2487 | |
| 77 | S | A | -1.4483 | |
| 78 | T | A | -1.2841 | |
| 79 | S | A | -1.4936 | |
| 80 | T | A | 0.0000 | |
| 81 | A | A | 0.0000 | |
| 82 | Y | A | -0.3349 | |
| 83 | M | A | 0.0000 | |
| 84 | E | A | -0.9030 | |
| 85 | L | A | 0.0000 | |
| 86 | S | A | -1.4030 | |
| 87 | S | A | -1.5543 | |
| 88 | L | A | 0.0000 | |
| 89 | R | A | -3.2273 | |
| 90 | S | A | -2.5075 | |
| 91 | D | A | -2.6454 | |
| 92 | D | A | -1.8389 | |
| 93 | T | A | -0.8544 | |
| 94 | A | A | 0.0000 | |
| 95 | V | A | 0.5244 | |
| 96 | Y | A | 0.0000 | |
| 97 | F | A | 0.1999 | |
| 98 | C | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | R | A | 0.0000 | |
| 101 | E | A | 0.0000 | |
| 102 | N | A | -0.8614 | |
| 103 | L | A | 0.0000 | |
| 104 | D | A | -1.9338 | |
| 105 | N | A | -2.3604 | |
| 106 | S | A | -1.5069 | |
| 107 | G | A | -0.9494 | |
| 108 | T | A | -0.2088 | |
| 109 | Y | A | 0.7890 | |
| 110 | Y | A | 1.6462 | |
| 111 | Y | A | 1.2086 | |
| 112 | F | A | 1.0060 | |
| 113 | S | A | 0.8050 | |
| 114 | G | A | 0.3199 | |
| 115 | W | A | 0.7210 | |
| 116 | F | A | 0.1779 | |
| 117 | D | A | -1.5425 | |
| 118 | P | A | -1.3188 | |
| 119 | W | A | -0.2819 | |
| 120 | G | A | -0.6342 | |
| 121 | Q | A | -0.9184 | |
| 122 | G | A | -0.1677 | |
| 123 | T | A | 0.0000 | |
| 124 | L | A | 0.7995 | |
| 125 | V | A | 0.0000 | |
| 126 | T | A | -0.1231 | |
| 127 | V | A | 0.0000 | |
| 128 | S | A | -1.5740 | |
| 129 | S | A | -1.7220 | |
| 130 | Q | A | -1.7802 | |
| 131 | S | A | -0.4195 | |
| 132 | A | A | 0.3556 | |
| 133 | L | A | 0.0000 | |
| 134 | T | A | 0.0000 | |
| 135 | Q | A | 0.0000 | |
| 136 | P | A | 0.0000 | |
| 137 | R | A | -1.7518 | |
| 138 | S | A | -1.2712 | |
| 139 | V | A | 0.0000 | |
| 140 | S | A | -0.3458 | |
| 141 | G | A | 0.0000 | |
| 142 | S | A | -0.3960 | |
| 143 | P | A | -0.8444 | |
| 144 | G | A | -1.2347 | |
| 145 | Q | A | -1.2426 | |
| 146 | S | A | -0.9751 | |
| 147 | V | A | 0.0000 | |
| 148 | T | A | -1.1122 | |
| 149 | I | A | 0.0000 | |
| 150 | S | A | 0.0000 | |
| 151 | C | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | -0.1947 | |
| 154 | T | A | -0.5236 | |
| 155 | S | A | -0.6553 | |
| 156 | S | A | -0.5154 | |
| 157 | D | A | -0.1652 | |
| 158 | I | A | 0.0000 | |
| 159 | G | A | -0.8426 | |
| 160 | G | A | -0.6671 | |
| 161 | Y | A | -0.2184 | |
| 162 | N | A | -0.4898 | |
| 163 | F | A | 1.1827 | |
| 164 | V | A | 0.0000 | |
| 165 | S | A | 0.2266 | |
| 166 | W | A | 0.0000 | |
| 167 | Y | A | -0.0579 | |
| 168 | Q | A | 0.0000 | |
| 169 | Q | A | -1.7119 | |
| 170 | H | A | -1.9362 | |
| 171 | P | A | -1.3913 | |
| 172 | G | A | -1.5279 | |
| 173 | K | A | -2.3836 | |
| 174 | A | A | -1.4630 | |
| 175 | P | A | -1.4616 | |
| 176 | K | A | -1.7800 | |
| 177 | L | A | -0.4222 | |
| 178 | M | A | 0.0000 | |
| 179 | I | A | 0.0000 | |
| 180 | Y | A | -0.1869 | |
| 181 | D | A | -0.6663 | |
| 182 | A | A | 0.0000 | |
| 183 | T | A | -1.2335 | |
| 184 | K | A | -1.8046 | |
| 185 | R | A | -1.9645 | |
| 186 | P | A | -1.0354 | |
| 187 | S | A | -0.9796 | |
| 188 | G | A | -0.8424 | |
| 189 | V | A | -1.0621 | |
| 190 | P | A | -1.3119 | |
| 191 | D | A | -2.2875 | |
| 192 | R | A | -1.5767 | |
| 193 | F | A | 0.0000 | |
| 194 | S | A | -1.0236 | |
| 195 | G | A | 0.0000 | |
| 196 | S | A | -1.1199 | |
| 197 | K | A | -1.4429 | |
| 198 | S | A | -1.2808 | |
| 199 | G | A | -1.0385 | |
| 200 | N | A | -0.8363 | |
| 201 | T | A | 0.0000 | |
| 202 | A | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | T | A | -0.4974 | |
| 206 | I | A | 0.0000 | |
| 207 | S | A | -1.0745 | |
| 208 | G | A | -1.0487 | |
| 209 | L | A | 0.0000 | |
| 210 | Q | A | -1.7490 | |
| 211 | A | A | -1.4900 | |
| 212 | E | A | -2.3914 | |
| 213 | D | A | 0.0000 | |
| 214 | E | A | -2.2310 | |
| 215 | A | A | 0.0000 | |
| 216 | D | A | -1.2808 | |
| 217 | Y | A | 0.0000 | |
| 218 | Y | A | 0.3111 | |
| 219 | C | A | 0.0000 | |
| 220 | C | A | 1.5839 | |
| 221 | S | A | 0.0000 | |
| 222 | Y | A | 1.1796 | |
| 223 | A | A | 0.0000 | |
| 224 | G | A | 0.0000 | |
| 225 | D | A | -1.2277 | |
| 226 | Y | A | 0.3047 | |
| 227 | T | A | 0.2044 | |
| 228 | P | A | -0.0302 | |
| 229 | G | A | 0.3201 | |
| 230 | V | A | 2.2533 | |
| 231 | V | A | 1.8230 | |
| 232 | F | A | 2.2029 | |
| 233 | G | A | 0.5085 | |
| 234 | G | A | -0.6998 | |
| 235 | G | A | -0.6293 | |
| 236 | T | A | 0.0000 | |
| 237 | K | A | -2.4367 | |
| 238 | L | A | 0.0000 | |
| 239 | T | A | -0.7205 | |
| 240 | V | A | -0.6131 | |
| 241 | L | A | 0.5366 | |
| 242 | G | A | -0.0460 | |
| 1 | S | B | -0.9947 | |
| 2 | K | B | -1.2084 | |
| 3 | L | B | -1.1856 | |
| 4 | E | B | -2.4731 | |
| 5 | E | B | -1.8527 | |
| 6 | I | B | 0.0000 | |
| 7 | L | B | -2.6244 | |
| 8 | K | B | -3.5309 | |
| 9 | Q | B | -2.7755 | |
| 10 | I | B | 0.0000 | |
| 11 | E | B | -4.5927 | |
| 12 | E | B | -3.9985 | |
| 13 | Q | B | -2.5997 | |
| 14 | Y | B | 0.0000 | |
| 15 | D | B | -3.6214 | |
| 16 | F | B | -1.8441 | |
| 17 | M | B | 0.0000 | |
| 18 | K | B | -2.5922 | |
| 19 | S | B | -0.9334 | |
| 20 | W | B | 0.0000 | |
| 21 | L | B | 0.0000 | |
| 22 | G | B | -0.9460 | |
| 23 | Y | B | -1.9725 | |
| 24 | E | B | -3.5055 | |
| 25 | E | B | -3.8929 | |
| 26 | L | B | 0.0000 | |
| 27 | K | B | -4.0600 | |
| 28 | K | B | -4.7848 | |
| 29 | E | B | -4.2031 | |
| 30 | A | B | 0.0000 | |
| 31 | E | B | -5.2770 | |
| 32 | K | B | -4.5588 | |
| 33 | A | B | -3.6249 | |
| 34 | G | B | 0.0000 | |
| 35 | E | B | -4.6879 | |
| 36 | K | B | -4.4154 | |
| 37 | A | B | 0.0000 | |
| 38 | K | B | -3.7178 | |
| 39 | E | B | -4.1582 | |
| 40 | K | B | -3.5400 | |
| 41 | F | B | 0.0000 | |
| 42 | K | B | -3.6103 | |
| 43 | E | B | -3.9785 | |
| 44 | L | B | -3.2936 | |
| 45 | A | B | -2.9652 | |
| 46 | E | B | -3.5424 | |
| 47 | K | B | -3.5225 | |
| 48 | K | B | -2.9117 | |
| 49 | S | B | -1.9590 | |
| 50 | L | B | -1.5900 | |
| 51 | N | B | -2.3695 | |
| 52 | E | B | -2.9320 | |
| 53 | A | B | 0.0000 | |
| 54 | T | B | -2.5067 | |
| 55 | K | B | -3.6028 | |
| 56 | E | B | -3.3467 | |
| 57 | V | B | 0.0000 | |
| 58 | S | B | -2.2337 | |
| 59 | R | B | -3.0906 | |
| 60 | E | B | -2.6700 | |
| 61 | I | B | -1.2340 | |
| 62 | Y | B | -0.6528 | |
| 63 | K | B | -2.2687 | |
| 64 | D | B | -1.9855 | |
| 65 | F | B | -1.2115 | |
| 66 | V | B | -1.5023 | |
| 67 | D | B | -2.7053 | |
| 68 | L | B | 0.0000 | |
| 69 | F | B | 0.0000 | |
| 70 | E | B | -3.0402 | |
| 71 | K | B | -2.4554 | |
| 72 | Q | B | 0.0000 | |
| 73 | V | B | 0.0000 | |
| 74 | K | B | -2.7865 | |
| 75 | L | B | -1.5040 | |
| 76 | D | B | 0.0000 | |
| 77 | E | B | -2.4712 |
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