| Chain sequence(s) |
A: AASIQTTVNTLSERISSKLEQEANASAQTKCDIEIGNFYIRQNHGCNITVKNMCSADADAQLDAVLSAATETYSGLTPEQKAYVPAMFTAALNIQTSVNTVVRDFENYVKQTCNSSAVVDNKLKIQNVIIDECYGAPGSPTNLEFINTGSSKGNCAIKALMQLTTKATTQIAPRQVAGTGVQ
B: DMVMSQSPSSLAVSAGEKVSMSCKSSQTLLNSRTRKNYLAWYQQKPGQSPKLLIYWASTRESGVPDRFTGSGSGTDFTLTISSVQAEDLAVYYCKQSYNLWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERAAGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC 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 (00:04:21)
[INFO] Main: Simulation completed successfully. (00:04:24)
|
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 | B | -1.6957 | |
| 2 | M | B | 0.0000 | |
| 3 | V | B | 0.8900 | |
| 4 | M | B | 0.0000 | |
| 5 | S | B | -0.6174 | |
| 6 | Q | B | -0.7969 | |
| 7 | S | B | -0.8351 | |
| 8 | P | B | -0.5516 | |
| 9 | S | B | -0.5750 | |
| 10 | S | B | -0.4620 | |
| 11 | L | B | -0.4424 | |
| 12 | A | B | -0.7693 | |
| 13 | V | B | 0.0000 | |
| 14 | S | B | -1.7204 | |
| 15 | A | B | -1.6077 | |
| 16 | G | B | -1.6682 | |
| 17 | E | B | -2.6100 | |
| 18 | K | B | -2.6325 | |
| 19 | V | B | 0.0000 | |
| 20 | S | B | -0.5658 | |
| 21 | M | B | 0.0000 | |
| 22 | S | B | -1.0900 | |
| 23 | C | B | 0.0000 | |
| 24 | K | B | -2.3438 | |
| 25 | S | B | 0.0000 | |
| 26 | S | B | -1.0370 | |
| 27 | Q | B | -1.6360 | |
| 28 | T | B | -0.9842 | |
| 29 | L | B | 0.0000 | |
| 30 | L | B | -0.6452 | |
| 31 | N | B | -1.5397 | |
| 32 | S | B | -1.9000 | |
| 33 | R | B | -2.7532 | |
| 34 | T | B | -2.3384 | |
| 35 | R | B | -3.0000 | |
| 36 | K | B | -2.1413 | |
| 37 | N | B | -0.5008 | |
| 38 | Y | B | 0.3958 | |
| 39 | L | B | 0.0000 | |
| 40 | A | B | 0.0000 | |
| 41 | W | B | 0.0000 | |
| 42 | Y | B | -0.0176 | |
| 43 | Q | B | 0.0000 | |
| 44 | Q | B | -1.2457 | |
| 45 | K | B | -1.5409 | |
| 46 | P | B | -1.4199 | |
| 47 | G | B | -1.5318 | |
| 48 | Q | B | -2.0100 | |
| 49 | S | B | -1.4574 | |
| 50 | P | B | -1.2969 | |
| 51 | K | B | -1.6015 | |
| 52 | L | B | -0.5991 | |
| 53 | L | B | 0.0000 | |
| 54 | I | B | 0.0000 | |
| 55 | Y | B | 0.2805 | |
| 56 | W | B | 0.4829 | |
| 57 | A | B | 0.0000 | |
| 58 | S | B | -0.4568 | |
| 59 | T | B | -0.3631 | |
| 60 | R | B | -1.2596 | |
| 61 | E | B | -1.0339 | |
| 62 | S | B | -0.7935 | |
| 63 | G | B | -0.9437 | |
| 64 | V | B | -1.0984 | |
| 65 | P | B | -1.3146 | |
| 66 | D | B | -2.1480 | |
| 67 | R | B | -1.4999 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -0.7707 | |
| 70 | G | B | 0.0000 | |
| 71 | S | B | -0.7061 | |
| 72 | G | B | -1.1920 | |
| 73 | S | B | -1.2938 | |
| 74 | G | B | -1.2704 | |
| 75 | T | B | -1.7891 | |
| 76 | D | B | -2.7606 | |
| 77 | F | B | 0.0000 | |
| 78 | T | B | -0.9540 | |
| 79 | L | B | 0.0000 | |
| 80 | T | B | -0.5643 | |
| 81 | I | B | 0.0000 | |
| 82 | S | B | -1.5855 | |
| 83 | S | B | -1.5480 | |
| 84 | V | B | 0.0000 | |
| 85 | Q | B | -1.7746 | |
| 86 | A | B | -1.9395 | |
| 87 | E | B | -1.9968 | |
| 88 | D | B | 0.0000 | |
| 89 | L | B | 0.0000 | |
| 90 | A | B | 0.0000 | |
| 91 | V | B | -0.2343 | |
| 92 | Y | B | 0.0000 | |
| 93 | Y | B | 0.4044 | |
| 94 | C | B | 0.0000 | |
| 95 | K | B | 1.0365 | |
| 96 | Q | B | 0.0000 | |
| 97 | S | B | 1.0604 | |
| 98 | Y | B | 0.8980 | |
| 99 | N | B | 0.0207 | |
| 100 | L | B | 1.8143 | |
| 101 | W | B | 2.1319 | |
| 102 | T | B | 1.5716 | |
| 103 | F | B | 1.7337 | |
| 104 | G | B | 0.3847 | |
| 105 | G | B | -0.1736 | |
| 106 | G | B | -0.2101 | |
| 107 | T | B | 0.0000 | |
| 108 | K | B | -0.6239 | |
| 109 | L | B | 0.0000 | |
| 110 | E | B | -1.3810 | |
| 111 | I | B | 0.0000 | |
| 112 | K | B | -2.1985 | |
| 113 | R | B | -1.9789 | |
| 114 | A | B | -1.5041 | |
| 115 | D | B | -2.4108 | |
| 116 | A | B | -1.3213 | |
| 117 | A | B | -0.8357 | |
| 118 | P | B | 0.0000 | |
| 119 | T | B | -0.4201 | |
| 120 | V | B | 0.0000 | |
| 121 | S | B | 0.5736 | |
| 122 | I | B | 1.1038 | |
| 123 | F | B | 1.4825 | |
| 124 | P | B | 0.5563 | |
| 125 | P | B | -0.1190 | |
| 126 | S | B | -0.6174 | |
| 127 | S | B | -1.1813 | |
| 128 | E | B | -2.1016 | |
| 129 | Q | B | -1.3842 | |
| 130 | L | B | -1.1670 | |
| 131 | T | B | -0.9433 | |
| 132 | S | B | -0.9454 | |
| 133 | G | B | -1.0898 | |
| 134 | G | B | -1.0727 | |
| 135 | A | B | 0.0000 | |
| 136 | S | B | 0.0434 | |
| 137 | V | B | 0.0000 | |
| 138 | V | B | 1.0009 | |
| 139 | C | B | 0.0000 | |
| 140 | F | B | 0.6619 | |
| 141 | L | B | 0.0000 | |
| 142 | N | B | -1.1929 | |
| 143 | N | B | -1.6875 | |
| 144 | F | B | 0.0000 | |
| 145 | Y | B | -1.9909 | |
| 146 | P | B | -2.0803 | |
| 147 | K | B | -2.2988 | |
| 148 | D | B | -2.6573 | |
| 149 | I | B | 0.0000 | |
| 150 | N | B | -1.9566 | |
| 151 | V | B | -0.6902 | |
| 152 | K | B | -1.0656 | |
| 153 | W | B | 0.0000 | |
| 154 | K | B | -2.0835 | |
| 155 | I | B | 0.0000 | |
| 156 | D | B | -2.7029 | |
| 157 | G | B | -2.1452 | |
| 158 | S | B | -2.1270 | |
| 159 | E | B | -2.8466 | |
| 160 | R | B | -1.7038 | |
| 161 | A | B | -0.5576 | |
| 162 | A | B | -0.0898 | |
| 163 | G | B | 0.2140 | |
| 164 | V | B | 0.7223 | |
| 165 | L | B | 1.2110 | |
| 166 | N | B | 0.0893 | |
| 167 | S | B | -0.2154 | |
| 168 | W | B | -0.7179 | |
| 169 | T | B | -1.1741 | |
| 170 | D | B | -2.1516 | |
| 171 | Q | B | 0.0000 | |
| 172 | D | B | -2.1591 | |
| 173 | S | B | -2.2478 | |
| 174 | K | B | -2.5954 | |
| 175 | D | B | -1.9005 | |
| 176 | S | B | 0.0000 | |
| 177 | T | B | 0.0000 | |
| 178 | Y | B | -1.4687 | |
| 179 | S | B | -1.0528 | |
| 180 | M | B | 0.0000 | |
| 181 | S | B | 0.1741 | |
| 182 | S | B | 0.0000 | |
| 183 | T | B | 0.6768 | |
| 184 | L | B | 0.0000 | |
| 185 | T | B | 0.1248 | |
| 186 | L | B | 0.0000 | |
| 187 | T | B | -1.5950 | |
| 188 | K | B | -2.4784 | |
| 189 | D | B | -3.4401 | |
| 190 | E | B | -2.9581 | |
| 191 | Y | B | 0.0000 | |
| 192 | E | B | -3.7803 | |
| 193 | R | B | -3.7197 | |
| 194 | H | B | -3.0198 | |
| 195 | N | B | -2.6166 | |
| 196 | S | B | -1.6895 | |
| 197 | Y | B | 0.0000 | |
| 198 | T | B | -0.7963 | |
| 199 | C | B | 0.0000 | |
| 200 | E | B | -0.1250 | |
| 201 | A | B | 0.0000 | |
| 202 | T | B | -0.8845 | |
| 203 | H | B | 0.0000 | |
| 204 | K | B | -2.4844 | |
| 205 | T | B | -1.3275 | |
| 206 | S | B | -0.6490 | |
| 207 | T | B | -0.5555 | |
| 208 | S | B | -0.2394 | |
| 209 | P | B | -0.1207 | |
| 210 | I | B | 0.9145 | |
| 211 | V | B | 1.0765 | |
| 212 | K | B | 0.1440 | |
| 213 | S | B | -0.3029 | |
| 214 | F | B | -0.6646 | |
| 215 | N | B | -1.8902 | |
| 216 | R | B | -2.2251 | |
| 217 | N | B | -2.4169 | |
| 218 | E | B | -2.3316 | |
| 219 | C | B | -0.7372 | |
| 4 | A | A | 0.0825 | |
| 5 | A | A | -0.0408 | |
| 6 | S | A | -0.2560 | |
| 7 | I | A | -0.2754 | |
| 8 | Q | A | -0.7466 | |
| 9 | T | A | -0.5054 | |
| 10 | T | A | -0.3761 | |
| 11 | V | A | -1.0153 | |
| 12 | N | A | -2.0234 | |
| 13 | T | A | -1.4142 | |
| 14 | L | A | -1.1383 | |
| 15 | S | A | -1.5535 | |
| 16 | E | A | -2.3562 | |
| 17 | R | A | -1.8345 | |
| 18 | I | A | 0.0000 | |
| 19 | S | A | -1.6092 | |
| 20 | S | A | -2.1704 | |
| 21 | K | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | E | A | -3.3624 | |
| 24 | Q | A | -3.3741 | |
| 25 | E | A | -3.4927 | |
| 26 | A | A | 0.0000 | |
| 27 | N | A | -3.1884 | |
| 28 | A | A | 0.0000 | |
| 29 | S | A | -1.5022 | |
| 30 | A | A | -0.9874 | |
| 31 | Q | A | -1.2805 | |
| 32 | T | A | -1.5820 | |
| 33 | K | A | -2.3575 | |
| 34 | C | A | 0.0000 | |
| 35 | D | A | -2.4836 | |
| 36 | I | A | 0.0000 | |
| 37 | E | A | -1.1375 | |
| 38 | I | A | -0.5007 | |
| 39 | G | A | -0.7945 | |
| 40 | N | A | -1.0488 | |
| 41 | F | A | 0.0000 | |
| 42 | Y | A | 0.2884 | |
| 43 | I | A | 0.0000 | |
| 44 | R | A | -2.2563 | |
| 45 | Q | A | -2.4085 | |
| 46 | N | A | -2.1952 | |
| 47 | H | A | -1.9834 | |
| 48 | G | A | -1.4113 | |
| 49 | C | A | 0.0000 | |
| 50 | N | A | -1.6805 | |
| 51 | I | A | -0.1943 | |
| 52 | T | A | 0.0366 | |
| 53 | V | A | 0.6490 | |
| 54 | K | A | -0.1797 | |
| 55 | N | A | -0.7167 | |
| 56 | M | A | 0.0000 | |
| 57 | C | A | 0.0000 | |
| 58 | S | A | -1.9478 | |
| 59 | A | A | -1.6922 | |
| 60 | D | A | -2.3153 | |
| 61 | A | A | -1.9693 | |
| 62 | D | A | -2.7852 | |
| 63 | A | A | -2.4465 | |
| 64 | Q | A | 0.0000 | |
| 65 | L | A | 0.0000 | |
| 66 | D | A | -2.5875 | |
| 67 | A | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | S | A | -1.1226 | |
| 71 | A | A | 0.0000 | |
| 72 | A | A | 0.0000 | |
| 73 | T | A | -0.6216 | |
| 74 | E | A | -0.9156 | |
| 75 | T | A | -0.5286 | |
| 76 | Y | A | -0.1532 | |
| 77 | S | A | -0.5667 | |
| 78 | G | A | -0.7258 | |
| 79 | L | A | -0.6789 | |
| 80 | T | A | -1.0014 | |
| 81 | P | A | -1.2681 | |
| 82 | E | A | -1.9304 | |
| 83 | Q | A | -1.1037 | |
| 84 | K | A | -0.7952 | |
| 85 | A | A | -0.3939 | |
| 86 | Y | A | 0.4204 | |
| 87 | V | A | 0.0000 | |
| 88 | P | A | -0.1235 | |
| 89 | A | A | 0.0033 | |
| 90 | M | A | -0.0827 | |
| 91 | F | A | 0.0000 | |
| 92 | T | A | -0.8174 | |
| 93 | A | A | -0.4745 | |
| 94 | A | A | -0.3914 | |
| 95 | L | A | -0.5219 | |
| 96 | N | A | -1.3310 | |
| 97 | I | A | -0.9097 | |
| 98 | Q | A | -1.4198 | |
| 99 | T | A | -0.9455 | |
| 100 | S | A | -0.2257 | |
| 101 | V | A | 0.1184 | |
| 102 | N | A | -1.1036 | |
| 103 | T | A | -1.0526 | |
| 104 | V | A | 0.0000 | |
| 105 | V | A | -0.8811 | |
| 106 | R | A | -2.3697 | |
| 107 | D | A | -1.9666 | |
| 108 | F | A | 0.0000 | |
| 109 | E | A | -2.4016 | |
| 110 | N | A | -2.6566 | |
| 111 | Y | A | -1.6948 | |
| 112 | V | A | 0.0000 | |
| 113 | K | A | -2.6201 | |
| 114 | Q | A | -2.3002 | |
| 115 | T | A | -1.2506 | |
| 116 | C | A | 0.0000 | |
| 117 | N | A | -1.6530 | |
| 118 | S | A | -0.9969 | |
| 119 | S | A | -0.7048 | |
| 120 | A | A | -0.4286 | |
| 121 | V | A | -0.4522 | |
| 122 | V | A | -0.6252 | |
| 123 | D | A | -1.9606 | |
| 124 | N | A | -1.6269 | |
| 125 | K | A | -1.8187 | |
| 126 | L | A | -0.1546 | |
| 127 | K | A | -0.8605 | |
| 128 | I | A | 0.5231 | |
| 129 | Q | A | -0.2438 | |
| 130 | N | A | -0.6101 | |
| 131 | V | A | 0.0000 | |
| 132 | I | A | 0.8278 | |
| 133 | I | A | 0.0000 | |
| 134 | D | A | -1.3896 | |
| 135 | E | A | -1.7924 | |
| 136 | C | A | 0.0000 | |
| 137 | Y | A | -0.5622 | |
| 138 | G | A | 0.0000 | |
| 139 | A | A | -0.4941 | |
| 140 | P | A | -0.7026 | |
| 141 | G | A | -0.7294 | |
| 142 | S | A | -0.8912 | |
| 143 | P | A | -1.1181 | |
| 144 | T | A | 0.0000 | |
| 145 | N | A | -1.9639 | |
| 146 | L | A | 0.0000 | |
| 147 | E | A | -0.8441 | |
| 148 | F | A | 0.0000 | |
| 149 | I | A | 0.0000 | |
| 150 | N | A | 0.0000 | |
| 151 | T | A | 0.0000 | |
| 152 | G | A | 0.0000 | |
| 153 | S | A | -1.2189 | |
| 154 | S | A | 0.0000 | |
| 155 | K | A | -0.8157 | |
| 156 | G | A | 0.0000 | |
| 157 | N | A | 0.0000 | |
| 158 | C | A | -0.1756 | |
| 159 | A | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | K | A | -0.5838 | |
| 162 | A | A | 0.0000 | |
| 163 | L | A | -0.1285 | |
| 164 | M | A | 0.0000 | |
| 165 | Q | A | -0.5106 | |
| 166 | L | A | 0.0000 | |
| 167 | T | A | -0.1784 | |
| 168 | T | A | 0.0000 | |
| 169 | K | A | -0.3139 | |
| 170 | A | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | T | A | -0.2217 | |
| 173 | Q | A | 0.1538 | |
| 174 | I | A | 0.8884 | |
| 175 | A | A | -0.0350 | |
| 176 | P | A | -0.6942 | |
| 177 | R | A | -1.3359 | |
| 178 | Q | A | -0.6010 | |
| 179 | V | A | 1.0932 | |
| 180 | A | A | 0.5949 | |
| 181 | G | A | -0.2151 | |
| 182 | T | A | 0.0933 | |
| 183 | G | A | -0.3256 | |
| 184 | V | A | 0.5451 | |
| 185 | Q | A | -0.7727 |
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