| Chain sequence(s) |
A: SLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKR
C: GSSVSSVPTKLEVVAATPTSLLISWDAPMSSSSVYYYRITYGETGGNSPVQEFTVPYSSSTATISGLSPGVDYTITVYAWGEDSAGYMFMYSPISINYRTC B: EKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPK D: GSSVSSVPTKLEVVAATPTSLLISWDAPMSSSSVYYYRITYGETGGNSPVQEFTVPYSSSTATISGLSPGVDYTITVYAWGEDSAGYMFMYSPISINYRTC input PDB |
| Selected Chain(s) | A,C,B,D |
| 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 (00:03:15)
[INFO] Main: Simulation completed successfully. (00:03:18)
|
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 | |
| 140 | S | A | -1.1370 | |
| 141 | L | A | -1.2746 | |
| 142 | E | A | -2.6586 | |
| 143 | K | A | -2.6921 | |
| 144 | H | A | -1.7107 | |
| 145 | S | A | -1.2300 | |
| 146 | W | A | 0.0000 | |
| 147 | Y | A | 0.0000 | |
| 148 | H | A | -1.2148 | |
| 149 | G | A | 0.0000 | |
| 150 | P | A | -0.7672 | |
| 151 | V | A | -0.5575 | |
| 152 | S | A | -1.3149 | |
| 153 | R | A | -1.8403 | |
| 154 | N | A | -1.8552 | |
| 155 | A | A | -1.1258 | |
| 156 | A | A | 0.0000 | |
| 157 | E | A | -1.9270 | |
| 158 | Y | A | -0.2851 | |
| 159 | L | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | S | A | -0.2708 | |
| 162 | S | A | 0.0041 | |
| 163 | G | A | 0.3647 | |
| 164 | I | A | 1.0837 | |
| 165 | N | A | -0.3363 | |
| 166 | G | A | 0.0000 | |
| 167 | S | A | 0.0000 | |
| 168 | F | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | R | A | 0.0000 | |
| 172 | E | A | -1.5063 | |
| 173 | S | A | 0.0000 | |
| 174 | E | A | -2.4222 | |
| 175 | S | A | -1.4035 | |
| 176 | S | A | -1.4255 | |
| 177 | P | A | -1.4451 | |
| 178 | G | A | -1.2480 | |
| 179 | Q | A | -1.6075 | |
| 180 | R | A | -1.5255 | |
| 181 | S | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | S | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | R | A | -0.8616 | |
| 186 | Y | A | -0.8499 | |
| 187 | E | A | -1.9055 | |
| 188 | G | A | -1.3583 | |
| 189 | R | A | -1.3818 | |
| 190 | V | A | -1.0784 | |
| 191 | Y | A | 0.0000 | |
| 192 | H | A | 0.0000 | |
| 193 | Y | A | 0.0000 | |
| 194 | R | A | -1.1376 | |
| 195 | I | A | 0.0000 | |
| 196 | N | A | -1.1157 | |
| 197 | T | A | -1.2444 | |
| 198 | A | A | 0.0000 | |
| 199 | S | A | -1.5546 | |
| 200 | D | A | -2.3656 | |
| 201 | G | A | -1.8997 | |
| 202 | K | A | -1.8148 | |
| 203 | L | A | -1.0922 | |
| 204 | Y | A | 0.0000 | |
| 205 | V | A | -0.3485 | |
| 206 | S | A | 0.0000 | |
| 207 | S | A | -1.1395 | |
| 208 | E | A | -2.1027 | |
| 209 | S | A | -1.0518 | |
| 210 | R | A | -1.2411 | |
| 211 | F | A | -0.8564 | |
| 212 | N | A | -1.8451 | |
| 213 | T | A | -1.0218 | |
| 214 | L | A | 0.0000 | |
| 215 | A | A | -0.8431 | |
| 216 | E | A | -1.5343 | |
| 217 | L | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | H | A | -1.5221 | |
| 220 | H | A | -0.8627 | |
| 221 | H | A | 0.0000 | |
| 222 | S | A | -0.7349 | |
| 223 | T | A | -0.3263 | |
| 224 | V | A | 0.1100 | |
| 225 | A | A | 0.1901 | |
| 226 | D | A | 0.0000 | |
| 227 | G | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | I | A | 0.0000 | |
| 230 | T | A | -0.1107 | |
| 231 | T | A | -0.3539 | |
| 232 | L | A | 0.0000 | |
| 233 | H | A | -0.7512 | |
| 234 | Y | A | 0.2274 | |
| 235 | P | A | -0.2884 | |
| 236 | A | A | 0.0000 | |
| 237 | P | A | -1.0665 | |
| 238 | K | A | -1.8909 | |
| 239 | R | A | -2.1477 | |
| 142 | E | B | -2.7717 | |
| 143 | K | B | -2.7812 | |
| 144 | H | B | -1.7993 | |
| 145 | S | B | -1.3164 | |
| 146 | W | B | 0.0000 | |
| 147 | Y | B | -1.2718 | |
| 148 | H | B | -1.2294 | |
| 149 | G | B | 0.0000 | |
| 150 | P | B | -0.8132 | |
| 151 | V | B | -0.5882 | |
| 152 | S | B | -1.1295 | |
| 153 | R | B | -1.3537 | |
| 154 | N | B | -1.2890 | |
| 155 | A | B | -0.4114 | |
| 156 | A | B | 0.0000 | |
| 157 | E | B | -0.6759 | |
| 158 | Y | B | 0.6007 | |
| 159 | L | B | 0.0560 | |
| 160 | L | B | 0.0000 | |
| 161 | S | B | 0.1312 | |
| 162 | S | B | 0.1641 | |
| 163 | G | B | 0.7160 | |
| 164 | I | B | 1.1552 | |
| 165 | N | B | -0.2704 | |
| 166 | G | B | 0.0000 | |
| 167 | S | B | 0.0000 | |
| 168 | F | B | 0.0000 | |
| 169 | L | B | 0.0000 | |
| 170 | V | B | 0.0000 | |
| 171 | R | B | 0.0000 | |
| 172 | E | B | -1.8563 | |
| 173 | S | B | 0.0000 | |
| 174 | E | B | -2.4927 | |
| 175 | S | B | -1.3924 | |
| 176 | S | B | -1.3423 | |
| 177 | P | B | -1.4874 | |
| 178 | G | B | -1.4288 | |
| 179 | Q | B | -1.7140 | |
| 180 | R | B | -1.9329 | |
| 181 | S | B | 0.0000 | |
| 182 | I | B | 0.0000 | |
| 183 | S | B | 0.0000 | |
| 184 | L | B | 0.0000 | |
| 185 | R | B | -0.6056 | |
| 186 | Y | B | -0.7435 | |
| 187 | E | B | -1.8792 | |
| 188 | G | B | -1.3140 | |
| 189 | R | B | -1.1034 | |
| 190 | V | B | -0.6195 | |
| 191 | Y | B | 0.0000 | |
| 192 | H | B | 0.0000 | |
| 193 | Y | B | 0.0000 | |
| 194 | R | B | -0.7288 | |
| 195 | I | B | 0.0000 | |
| 196 | N | B | -0.8197 | |
| 197 | T | B | -1.0909 | |
| 198 | A | B | 0.0000 | |
| 199 | S | B | -1.1873 | |
| 200 | D | B | -2.2771 | |
| 201 | G | B | -1.7796 | |
| 202 | K | B | -1.7130 | |
| 203 | L | B | -0.9963 | |
| 204 | Y | B | -0.5905 | |
| 205 | V | B | 0.0000 | |
| 206 | S | B | 0.0000 | |
| 207 | S | B | -1.0924 | |
| 208 | E | B | -2.2219 | |
| 209 | S | B | -1.1406 | |
| 210 | R | B | -1.1893 | |
| 211 | F | B | -0.8478 | |
| 212 | N | B | -1.7610 | |
| 213 | T | B | -0.8845 | |
| 214 | L | B | -0.5981 | |
| 215 | A | B | -0.8094 | |
| 216 | E | B | -1.4791 | |
| 217 | L | B | 0.0000 | |
| 218 | V | B | 0.0000 | |
| 219 | H | B | -1.5063 | |
| 220 | H | B | -0.9107 | |
| 221 | H | B | 0.0000 | |
| 222 | S | B | -0.7427 | |
| 223 | T | B | -0.3448 | |
| 224 | V | B | 0.1917 | |
| 225 | A | B | 0.0892 | |
| 226 | D | B | -0.3350 | |
| 227 | G | B | 0.0000 | |
| 228 | L | B | 0.0000 | |
| 229 | I | B | 0.0000 | |
| 230 | T | B | -0.3224 | |
| 231 | T | B | -0.3508 | |
| 232 | L | B | 0.0000 | |
| 233 | H | B | -0.6824 | |
| 234 | Y | B | 0.3948 | |
| 235 | P | B | -0.2885 | |
| 236 | A | B | 0.0000 | |
| 237 | P | B | -1.0302 | |
| 238 | K | B | -1.8361 | |
| 1 | G | C | -0.5212 | |
| 2 | S | C | -0.8487 | |
| 3 | S | C | -1.2825 | |
| 4 | V | C | -0.6740 | |
| 5 | S | C | -0.7013 | |
| 6 | S | C | 0.0000 | |
| 7 | V | C | 0.0000 | |
| 8 | P | C | 0.0000 | |
| 9 | T | C | -0.4315 | |
| 10 | K | C | -1.1584 | |
| 11 | L | C | 0.0000 | |
| 12 | E | C | -0.6028 | |
| 13 | V | C | 0.0000 | |
| 14 | V | C | 1.0601 | |
| 15 | A | C | 0.6753 | |
| 16 | A | C | 0.3407 | |
| 17 | T | C | -0.0430 | |
| 18 | P | C | -0.2461 | |
| 19 | T | C | -0.3342 | |
| 20 | S | C | -0.1796 | |
| 21 | L | C | 0.0000 | |
| 22 | L | C | 0.6506 | |
| 23 | I | C | 0.0000 | |
| 24 | S | C | -0.1684 | |
| 25 | W | C | 0.0000 | |
| 26 | D | C | -0.7451 | |
| 27 | A | C | 0.0232 | |
| 28 | P | C | 0.3150 | |
| 29 | M | C | 0.8053 | |
| 30 | S | C | 0.1740 | |
| 31 | S | C | -0.0183 | |
| 32 | S | C | 0.0140 | |
| 33 | S | C | 0.1026 | |
| 34 | V | C | 0.6432 | |
| 35 | Y | C | 0.7651 | |
| 36 | Y | C | 0.0000 | |
| 37 | Y | C | 0.0000 | |
| 38 | R | C | 0.1031 | |
| 39 | I | C | 0.0000 | |
| 40 | T | C | 0.0000 | |
| 41 | Y | C | -0.1937 | |
| 42 | G | C | -0.9099 | |
| 43 | E | C | -1.9846 | |
| 44 | T | C | -1.7096 | |
| 45 | G | C | -1.9675 | |
| 46 | G | C | -1.7287 | |
| 47 | N | C | -1.7968 | |
| 48 | S | C | -1.1618 | |
| 49 | P | C | -0.4308 | |
| 50 | V | C | 0.3157 | |
| 51 | Q | C | -0.7097 | |
| 52 | E | C | -0.3534 | |
| 53 | F | C | 0.1093 | |
| 54 | T | C | 0.3266 | |
| 55 | V | C | 0.4868 | |
| 56 | P | C | 0.3095 | |
| 57 | Y | C | 1.2608 | |
| 58 | S | C | 0.4222 | |
| 59 | S | C | 0.1677 | |
| 60 | S | C | -0.0480 | |
| 61 | T | C | -0.0167 | |
| 62 | A | C | 0.1094 | |
| 63 | T | C | 0.1792 | |
| 64 | I | C | 0.0000 | |
| 65 | S | C | -0.4683 | |
| 66 | G | C | -0.6760 | |
| 67 | L | C | 0.0000 | |
| 68 | S | C | -0.6391 | |
| 69 | P | C | -0.4499 | |
| 70 | G | C | -0.5503 | |
| 71 | V | C | -0.7529 | |
| 72 | D | C | 0.0000 | |
| 73 | Y | C | 0.0000 | |
| 74 | T | C | -0.6282 | |
| 75 | I | C | 0.0000 | |
| 76 | T | C | 0.0288 | |
| 77 | V | C | 0.0000 | |
| 78 | Y | C | 0.1495 | |
| 79 | A | C | 0.0000 | |
| 80 | W | C | 0.0000 | |
| 81 | G | C | 0.0000 | |
| 82 | E | C | -0.4339 | |
| 83 | D | C | -0.9297 | |
| 84 | S | C | -0.6926 | |
| 85 | A | C | -0.4529 | |
| 86 | G | C | -0.4326 | |
| 87 | Y | C | 0.0000 | |
| 88 | M | C | 0.0000 | |
| 89 | F | C | 0.5602 | |
| 90 | M | C | 0.6587 | |
| 91 | Y | C | 0.0000 | |
| 92 | S | C | 0.0000 | |
| 93 | P | C | 0.0035 | |
| 94 | I | C | 0.0000 | |
| 95 | S | C | -0.2996 | |
| 96 | I | C | 0.0000 | |
| 97 | N | C | -0.8432 | |
| 98 | Y | C | -0.7425 | |
| 99 | R | C | -1.0599 | |
| 100 | T | C | 0.0000 | |
| 101 | C | C | 0.3079 | |
| 1 | G | D | -0.1514 | |
| 2 | S | D | -0.3086 | |
| 3 | S | D | -0.4762 | |
| 4 | V | D | -0.1501 | |
| 5 | S | D | -0.3449 | |
| 6 | S | D | 0.0000 | |
| 7 | V | D | 0.0014 | |
| 8 | P | D | 0.0000 | |
| 9 | T | D | -0.6966 | |
| 10 | K | D | -1.7822 | |
| 11 | L | D | 0.0000 | |
| 12 | E | D | -2.0685 | |
| 13 | V | D | 0.0000 | |
| 14 | V | D | 0.3365 | |
| 15 | A | D | 0.4941 | |
| 16 | A | D | 0.4445 | |
| 17 | T | D | 0.1042 | |
| 18 | P | D | -0.3655 | |
| 19 | T | D | -0.4185 | |
| 20 | S | D | 0.0000 | |
| 21 | L | D | 0.0000 | |
| 22 | L | D | 0.9235 | |
| 23 | I | D | 0.0000 | |
| 24 | S | D | -0.7800 | |
| 25 | W | D | 0.0000 | |
| 26 | D | D | -1.0657 | |
| 27 | A | D | -0.0899 | |
| 28 | P | D | 0.3675 | |
| 29 | M | D | 0.7760 | |
| 30 | S | D | 0.1515 | |
| 31 | S | D | -0.0011 | |
| 32 | S | D | 0.0738 | |
| 33 | S | D | -0.0033 | |
| 34 | V | D | 0.0000 | |
| 35 | Y | D | 0.6583 | |
| 36 | Y | D | 0.0000 | |
| 37 | Y | D | 0.0000 | |
| 38 | R | D | 0.0000 | |
| 39 | I | D | 0.0000 | |
| 40 | T | D | 0.0000 | |
| 41 | Y | D | 0.0000 | |
| 42 | G | D | -1.1618 | |
| 43 | E | D | -2.2185 | |
| 44 | T | D | -1.7635 | |
| 45 | G | D | -2.0611 | |
| 46 | G | D | -1.8539 | |
| 47 | N | D | -2.1380 | |
| 48 | S | D | -1.2453 | |
| 49 | P | D | -0.7760 | |
| 50 | V | D | -0.2512 | |
| 51 | Q | D | -0.9151 | |
| 52 | E | D | -0.3599 | |
| 53 | F | D | 0.2817 | |
| 54 | T | D | 0.3834 | |
| 55 | V | D | 0.4933 | |
| 56 | P | D | 0.3981 | |
| 57 | Y | D | 1.0419 | |
| 58 | S | D | 0.3074 | |
| 59 | S | D | 0.0883 | |
| 60 | S | D | -0.1174 | |
| 61 | T | D | -0.2207 | |
| 62 | A | D | 0.2884 | |
| 63 | T | D | 0.3745 | |
| 64 | I | D | 0.0000 | |
| 65 | S | D | -0.3732 | |
| 66 | G | D | -0.6623 | |
| 67 | L | D | 0.0000 | |
| 68 | S | D | -0.5149 | |
| 69 | P | D | -0.2945 | |
| 70 | G | D | -0.3363 | |
| 71 | V | D | -0.5341 | |
| 72 | D | D | -1.1743 | |
| 73 | Y | D | 0.0000 | |
| 74 | T | D | -0.7767 | |
| 75 | I | D | 0.0000 | |
| 76 | T | D | -0.0627 | |
| 77 | V | D | 0.0000 | |
| 78 | Y | D | 0.0000 | |
| 79 | A | D | 0.0000 | |
| 80 | W | D | 0.0000 | |
| 81 | G | D | 0.0000 | |
| 82 | E | D | -0.3350 | |
| 83 | D | D | -0.6134 | |
| 84 | S | D | -0.5096 | |
| 85 | A | D | -0.3219 | |
| 86 | G | D | -0.3476 | |
| 87 | Y | D | 0.0000 | |
| 88 | M | D | 0.0000 | |
| 89 | F | D | 0.4877 | |
| 90 | M | D | 0.6340 | |
| 91 | Y | D | 0.3875 | |
| 92 | S | D | 0.0000 | |
| 93 | P | D | 0.0184 | |
| 94 | I | D | 0.0000 | |
| 95 | S | D | -0.5380 | |
| 96 | I | D | 0.0000 | |
| 97 | N | D | -0.9587 | |
| 98 | Y | D | -0.5209 | |
| 99 | R | D | -0.6587 | |
| 100 | T | D | 0.0000 | |
| 101 | C | D | 0.4836 |
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