| Chain sequence(s) |
A: SKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFAAAVQCFARYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVHLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGIT
B: MADVQLVESGGGLVQAGGSLRLSCAASGPTGAMAWFRQAPGKEREFVGGISGSETDTYYVDSVKGRFTVDRDNVKNTVYLQMNSLKPEDTAVYYCAARRRITLFTSRTDYDFWGRGTQVTVGLEV 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] (00:00:00)
[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 (00:05:49)
[INFO] Main: Simulation completed successfully. (00:05:51)
|
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 | |
| 2 | S | A | -1.8980 | |
| 3 | K | A | -2.5014 | |
| 4 | G | A | 0.0000 | |
| 5 | E | A | -2.1934 | |
| 6 | E | A | -2.5737 | |
| 7 | L | A | -1.1974 | |
| 8 | F | A | 0.0000 | |
| 9 | T | A | -0.5147 | |
| 10 | G | A | 0.3649 | |
| 11 | V | A | 1.1848 | |
| 12 | V | A | 0.0000 | |
| 13 | P | A | -0.9598 | |
| 14 | I | A | 0.0000 | |
| 15 | L | A | -1.0614 | |
| 16 | V | A | 0.0000 | |
| 17 | E | A | -1.8001 | |
| 18 | L | A | 0.0000 | |
| 19 | D | A | -3.2543 | |
| 20 | G | A | 0.0000 | |
| 21 | D | A | -2.6983 | |
| 22 | V | A | 0.0000 | |
| 23 | N | A | -2.1443 | |
| 24 | G | A | -1.6683 | |
| 25 | H | A | -2.0411 | |
| 26 | K | A | -2.8713 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | -1.5380 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -0.9866 | |
| 31 | G | A | 0.0000 | |
| 32 | E | A | -2.2802 | |
| 33 | G | A | -1.7007 | |
| 34 | E | A | -1.4903 | |
| 35 | G | A | 0.0000 | |
| 36 | D | A | 0.3105 | |
| 37 | A | A | 0.0000 | |
| 38 | T | A | 0.3736 | |
| 39 | Y | A | 1.2030 | |
| 40 | G | A | 0.0000 | |
| 41 | K | A | 0.0913 | |
| 42 | L | A | 0.0000 | |
| 43 | T | A | -0.6781 | |
| 44 | L | A | 0.0000 | |
| 45 | K | A | -1.3483 | |
| 46 | F | A | 0.0000 | |
| 47 | I | A | -1.1120 | |
| 48 | C | A | 0.0000 | |
| 49 | T | A | -0.7919 | |
| 50 | T | A | -1.1547 | |
| 51 | G | A | -1.6752 | |
| 52 | K | A | -2.2554 | |
| 53 | L | A | 0.0000 | |
| 54 | P | A | 0.0000 | |
| 55 | V | A | 0.0000 | |
| 56 | P | A | 0.0000 | |
| 57 | W | A | 0.0000 | |
| 58 | P | A | 0.0000 | |
| 59 | T | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | T | A | -0.0432 | |
| 63 | T | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | Q | A | -0.3646 | |
| 70 | C | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | A | A | 0.0000 | |
| 73 | R | A | -0.8387 | |
| 74 | Y | A | 0.0000 | |
| 75 | P | A | -1.7413 | |
| 76 | D | A | -2.6983 | |
| 77 | H | A | -2.0931 | |
| 78 | M | A | 0.0000 | |
| 79 | K | A | -2.2919 | |
| 80 | Q | A | -2.0940 | |
| 81 | H | A | -1.3643 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | F | A | 0.0000 | |
| 85 | K | A | 0.0000 | |
| 86 | S | A | -0.9615 | |
| 87 | A | A | 0.0000 | |
| 88 | M | A | 0.0000 | |
| 89 | P | A | -0.9249 | |
| 90 | E | A | -1.1068 | |
| 91 | G | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | V | A | -0.7403 | |
| 94 | Q | A | 0.0000 | |
| 95 | E | A | -2.5169 | |
| 96 | R | A | 0.0000 | |
| 97 | T | A | -1.1316 | |
| 98 | I | A | 0.0000 | |
| 99 | F | A | -0.6588 | |
| 100 | F | A | 0.0000 | |
| 101 | K | A | -2.0839 | |
| 102 | D | A | -2.9327 | |
| 103 | D | A | -2.6477 | |
| 104 | G | A | 0.0000 | |
| 105 | N | A | -1.3396 | |
| 106 | Y | A | 0.0000 | |
| 107 | K | A | -2.4006 | |
| 108 | T | A | 0.0000 | |
| 109 | R | A | -3.6691 | |
| 110 | A | A | 0.0000 | |
| 111 | E | A | -1.7959 | |
| 112 | V | A | 0.0000 | |
| 113 | K | A | -1.0031 | |
| 114 | F | A | -1.1332 | |
| 115 | E | A | -1.4568 | |
| 116 | G | A | -1.6656 | |
| 117 | D | A | -2.1117 | |
| 118 | T | A | -1.3830 | |
| 119 | L | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | N | A | 0.0000 | |
| 122 | R | A | -2.4148 | |
| 123 | I | A | 0.0000 | |
| 124 | E | A | -4.0896 | |
| 125 | L | A | 0.0000 | |
| 126 | K | A | -2.9633 | |
| 127 | G | A | 0.0000 | |
| 128 | I | A | -1.4711 | |
| 129 | D | A | -2.5927 | |
| 130 | F | A | 0.0000 | |
| 131 | K | A | -3.9394 | |
| 132 | E | A | -3.8614 | |
| 133 | D | A | -3.4894 | |
| 134 | G | A | -2.7973 | |
| 135 | N | A | -1.8961 | |
| 136 | I | A | 0.0000 | |
| 137 | L | A | -1.7972 | |
| 138 | G | A | -2.0524 | |
| 139 | H | A | -1.6462 | |
| 140 | K | A | -2.2667 | |
| 141 | L | A | -1.6852 | |
| 142 | E | A | -1.9190 | |
| 143 | Y | A | -0.7494 | |
| 144 | N | A | -0.7885 | |
| 145 | Y | A | -1.0944 | |
| 146 | N | A | -1.7169 | |
| 147 | S | A | -1.3195 | |
| 148 | H | A | 0.0000 | |
| 149 | N | A | -1.2155 | |
| 150 | V | A | 0.0000 | |
| 151 | Y | A | -0.1303 | |
| 152 | I | A | 0.0000 | |
| 153 | M | A | -1.0924 | |
| 154 | A | A | -1.5466 | |
| 155 | D | A | -2.0908 | |
| 156 | K | A | -3.1002 | |
| 157 | Q | A | -3.1039 | |
| 158 | K | A | -3.0492 | |
| 159 | N | A | -2.5308 | |
| 160 | G | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | K | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | N | A | 0.0000 | |
| 165 | F | A | 0.0000 | |
| 166 | K | A | -0.6033 | |
| 167 | I | A | 0.0000 | |
| 168 | R | A | -0.9703 | |
| 169 | H | A | 0.0000 | |
| 170 | N | A | -1.5353 | |
| 171 | I | A | 0.0000 | |
| 172 | E | A | -3.3289 | |
| 173 | D | A | -3.0713 | |
| 174 | G | A | -1.9685 | |
| 175 | S | A | -1.0461 | |
| 176 | V | A | -0.3294 | |
| 177 | H | A | 0.0000 | |
| 178 | L | A | -0.5144 | |
| 179 | A | A | 0.0000 | |
| 180 | D | A | -0.5457 | |
| 181 | H | A | 0.0000 | |
| 182 | Y | A | 0.0000 | |
| 183 | Q | A | -0.9486 | |
| 184 | Q | A | -1.0716 | |
| 185 | N | A | 0.0000 | |
| 186 | T | A | -0.4372 | |
| 187 | P | A | -0.2567 | |
| 188 | I | A | 0.7999 | |
| 189 | G | A | -0.6582 | |
| 190 | D | A | -1.7777 | |
| 191 | G | A | -1.1399 | |
| 192 | P | A | -0.6768 | |
| 193 | V | A | -0.1963 | |
| 194 | L | A | -0.0423 | |
| 195 | L | A | -0.6823 | |
| 196 | P | A | 0.0000 | |
| 197 | D | A | -2.3148 | |
| 198 | N | A | -1.6553 | |
| 199 | H | A | 0.0000 | |
| 200 | Y | A | -0.1291 | |
| 201 | L | A | 0.0000 | |
| 202 | S | A | -0.6159 | |
| 203 | T | A | -0.8466 | |
| 204 | Q | A | -1.2906 | |
| 205 | S | A | -0.5921 | |
| 206 | A | A | -0.0774 | |
| 207 | L | A | -0.0277 | |
| 208 | S | A | -0.6637 | |
| 209 | K | A | -1.6704 | |
| 210 | D | A | -2.0447 | |
| 211 | P | A | -1.7820 | |
| 212 | N | A | -2.5195 | |
| 213 | E | A | -2.7401 | |
| 214 | K | A | -3.1996 | |
| 215 | R | A | -3.3898 | |
| 216 | D | A | -2.2528 | |
| 217 | H | A | 0.0000 | |
| 218 | M | A | 0.0000 | |
| 219 | V | A | -0.4172 | |
| 220 | L | A | 0.0000 | |
| 221 | L | A | 0.3379 | |
| 222 | E | A | 0.0644 | |
| 223 | F | A | 0.6248 | |
| 224 | V | A | 0.0000 | |
| 225 | T | A | -0.2573 | |
| 226 | A | A | 0.0000 | |
| 227 | A | A | 0.0197 | |
| 228 | G | A | 0.1651 | |
| 229 | I | A | 0.2297 | |
| 230 | T | A | 0.2602 | |
| 3 | M | B | 0.5433 | |
| 4 | A | B | -0.6411 | |
| 5 | D | B | -1.7140 | |
| 6 | V | B | -1.2365 | |
| 7 | Q | B | -1.1496 | |
| 8 | L | B | 0.0000 | |
| 9 | V | B | 1.3743 | |
| 10 | E | B | 0.0000 | |
| 11 | S | B | 0.2503 | |
| 12 | G | B | 0.0000 | |
| 13 | G | B | 0.0000 | |
| 14 | G | B | 0.0000 | |
| 15 | L | B | -0.2391 | |
| 16 | V | B | 0.0000 | |
| 17 | Q | B | -0.9767 | |
| 18 | A | B | -1.0234 | |
| 19 | G | B | -1.4417 | |
| 20 | G | B | -1.1402 | |
| 21 | S | B | -1.2078 | |
| 22 | L | B | 0.0000 | |
| 23 | R | B | -0.5952 | |
| 24 | L | B | 0.0000 | |
| 25 | S | B | 0.0895 | |
| 26 | C | B | 0.0000 | |
| 27 | A | B | -0.0606 | |
| 28 | A | B | 0.0000 | |
| 29 | S | B | -0.8104 | |
| 30 | G | B | -0.8781 | |
| 31 | P | B | -0.7650 | |
| 32 | T | B | -0.9422 | |
| 33 | G | B | 0.0000 | |
| 34 | A | B | 0.0000 | |
| 35 | M | B | 0.0000 | |
| 36 | A | B | 0.0000 | |
| 37 | W | B | 0.0000 | |
| 38 | F | B | 0.0000 | |
| 39 | R | B | 0.0000 | |
| 40 | Q | B | -2.0623 | |
| 41 | A | B | -2.0227 | |
| 42 | P | B | -1.3927 | |
| 43 | G | B | -1.9116 | |
| 44 | K | B | -3.2934 | |
| 45 | E | B | -3.4839 | |
| 46 | R | B | -2.7808 | |
| 47 | E | B | -2.8666 | |
| 48 | F | B | 0.0000 | |
| 49 | V | B | 0.0000 | |
| 50 | G | B | 0.0000 | |
| 51 | G | B | 0.0000 | |
| 52 | I | B | 0.0000 | |
| 53 | S | B | 0.0000 | |
| 54 | G | B | -1.1011 | |
| 55 | S | B | -1.1605 | |
| 56 | E | B | -1.9080 | |
| 57 | T | B | -1.5124 | |
| 58 | D | B | -1.8861 | |
| 59 | T | B | -0.8661 | |
| 60 | Y | B | 0.2648 | |
| 61 | Y | B | -0.3260 | |
| 62 | V | B | -1.0333 | |
| 63 | D | B | -2.2395 | |
| 64 | S | B | -1.7077 | |
| 65 | V | B | 0.0000 | |
| 66 | K | B | -2.4339 | |
| 67 | G | B | -1.8347 | |
| 68 | R | B | -1.5467 | |
| 69 | F | B | 0.0000 | |
| 70 | T | B | -0.8775 | |
| 71 | V | B | 0.0000 | |
| 72 | D | B | -1.5702 | |
| 73 | R | B | -1.4767 | |
| 74 | D | B | -1.4086 | |
| 75 | N | B | -1.6483 | |
| 76 | V | B | -0.0054 | |
| 77 | K | B | -1.6087 | |
| 78 | N | B | -1.3478 | |
| 79 | T | B | -0.8761 | |
| 80 | V | B | 0.0000 | |
| 81 | Y | B | -0.3260 | |
| 82 | L | B | 0.0000 | |
| 83 | Q | B | -0.9125 | |
| 84 | M | B | 0.0000 | |
| 85 | N | B | -1.8854 | |
| 86 | S | B | -1.4894 | |
| 87 | L | B | 0.0000 | |
| 88 | K | B | -2.4632 | |
| 89 | P | B | -1.8170 | |
| 90 | E | B | -2.3926 | |
| 91 | D | B | 0.0000 | |
| 92 | T | B | -1.0880 | |
| 93 | A | B | 0.0000 | |
| 94 | V | B | -0.4420 | |
| 95 | Y | B | 0.0000 | |
| 96 | Y | B | -0.1534 | |
| 97 | C | B | 0.0000 | |
| 98 | A | B | 0.0000 | |
| 99 | A | B | 0.0000 | |
| 100 | R | B | 0.0000 | |
| 101 | R | B | -1.8087 | |
| 102 | R | B | -1.8378 | |
| 103 | I | B | -0.1636 | |
| 104 | T | B | -0.1102 | |
| 105 | L | B | 0.3119 | |
| 106 | F | B | 1.0464 | |
| 107 | T | B | 0.1244 | |
| 108 | S | B | -0.6943 | |
| 109 | R | B | -1.3752 | |
| 110 | T | B | -0.7461 | |
| 111 | D | B | -1.0430 | |
| 112 | Y | B | 0.0000 | |
| 113 | D | B | -1.3010 | |
| 114 | F | B | 0.0000 | |
| 115 | W | B | -0.0248 | |
| 116 | G | B | 0.1163 | |
| 117 | R | B | -0.4197 | |
| 118 | G | B | -0.3431 | |
| 119 | T | B | 0.0000 | |
| 120 | Q | B | -1.0081 | |
| 121 | V | B | 0.0000 | |
| 122 | T | B | -0.7279 | |
| 123 | V | B | 0.0000 | |
| 124 | G | B | -0.3945 | |
| 125 | L | B | 0.6567 | |
| 126 | E | B | -0.3747 | |
| 127 | V | B | 1.1959 |
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