| Chain sequence(s) |
A: GEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFAAAVQCFARYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVHLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAG
D: DVQLVESGGGLVQPGGSLRLSCAASGEIASIIAIGWYRQAPGKQRESVALITRSGMITYGDSAQGRFTISRDDAKNTVYLHMDDLVPEDTAVYYCNAKKVSFGDYWGQGTQVTVSG input PDB |
| Selected Chain(s) | A,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 (00:04:18)
[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 | |
| 4 | G | A | -1.3032 | |
| 5 | E | A | -1.9412 | |
| 6 | E | A | -2.1337 | |
| 7 | L | A | -0.8193 | |
| 8 | F | A | 0.0000 | |
| 9 | T | A | -0.4003 | |
| 10 | G | A | 0.5988 | |
| 11 | V | A | 1.3748 | |
| 12 | V | A | 0.0000 | |
| 13 | P | A | -1.0596 | |
| 14 | I | A | 0.0000 | |
| 15 | L | A | -1.2513 | |
| 16 | V | A | 0.0000 | |
| 17 | E | A | -2.3776 | |
| 18 | L | A | 0.0000 | |
| 19 | D | A | -3.2647 | |
| 20 | G | A | 0.0000 | |
| 21 | D | A | -2.3849 | |
| 22 | V | A | 0.0000 | |
| 23 | N | A | -1.8192 | |
| 24 | G | A | -1.8319 | |
| 25 | H | A | -2.3749 | |
| 26 | K | A | -2.9374 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | -1.8137 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -1.1948 | |
| 31 | G | A | 0.0000 | |
| 32 | E | A | -2.3297 | |
| 33 | G | A | -1.7448 | |
| 34 | E | A | -1.6725 | |
| 35 | G | A | 0.0000 | |
| 36 | D | A | 0.0000 | |
| 37 | A | A | 0.0000 | |
| 38 | T | A | 0.3196 | |
| 39 | Y | A | 1.0597 | |
| 40 | G | A | 0.0000 | |
| 41 | K | A | -0.2151 | |
| 42 | L | A | 0.0000 | |
| 43 | T | A | -0.7431 | |
| 44 | L | A | 0.0000 | |
| 45 | K | A | -1.1734 | |
| 46 | F | A | 0.0000 | |
| 47 | I | A | -1.1650 | |
| 48 | C | A | 0.0000 | |
| 49 | T | A | -0.8093 | |
| 50 | T | A | -1.1362 | |
| 51 | G | A | -1.6370 | |
| 52 | K | A | -2.2473 | |
| 53 | L | A | 0.0000 | |
| 54 | P | A | -1.2837 | |
| 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 | -0.0008 | |
| 63 | T | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 68 | V | A | -0.0155 | |
| 69 | Q | A | -0.1912 | |
| 70 | C | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | A | A | 0.0000 | |
| 73 | R | A | -1.2122 | |
| 74 | Y | A | 0.0000 | |
| 75 | P | A | -1.9629 | |
| 76 | D | A | -2.9719 | |
| 77 | H | A | -2.4355 | |
| 78 | M | A | 0.0000 | |
| 79 | K | A | -2.8815 | |
| 80 | Q | A | -2.3635 | |
| 81 | H | A | -1.7140 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | F | A | 0.0000 | |
| 85 | K | A | 0.0000 | |
| 86 | S | A | -0.8206 | |
| 87 | A | A | 0.0000 | |
| 88 | M | A | 0.0000 | |
| 89 | P | A | -1.2125 | |
| 90 | E | A | -1.7951 | |
| 91 | G | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | V | A | -0.3707 | |
| 94 | Q | A | 0.0000 | |
| 95 | E | A | 0.0000 | |
| 96 | R | A | 0.0000 | |
| 97 | T | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | F | A | 0.0000 | |
| 100 | F | A | 0.0000 | |
| 101 | K | A | -0.8089 | |
| 102 | D | A | -1.3621 | |
| 103 | D | A | -1.4713 | |
| 104 | G | A | 0.0000 | |
| 105 | N | A | 0.0000 | |
| 106 | Y | A | 0.0000 | |
| 107 | K | A | 0.0000 | |
| 108 | T | A | 0.0000 | |
| 109 | R | A | -1.6570 | |
| 110 | A | A | 0.0000 | |
| 111 | E | A | -1.8073 | |
| 112 | V | A | 0.0000 | |
| 113 | K | A | -1.1633 | |
| 114 | F | A | -1.3820 | |
| 115 | E | A | -1.7889 | |
| 116 | G | A | -1.7941 | |
| 117 | D | A | -2.1802 | |
| 118 | T | A | -1.4590 | |
| 119 | L | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | N | A | 0.0000 | |
| 122 | R | A | -2.3702 | |
| 123 | I | A | 0.0000 | |
| 124 | E | A | -3.3413 | |
| 125 | L | A | 0.0000 | |
| 126 | K | A | -1.6122 | |
| 127 | G | A | 0.0000 | |
| 128 | I | A | -0.1181 | |
| 129 | D | A | -0.8129 | |
| 130 | F | A | 0.0000 | |
| 131 | K | A | -2.4740 | |
| 132 | E | A | -3.0708 | |
| 133 | D | A | -3.1053 | |
| 134 | G | A | -2.1524 | |
| 135 | N | A | -1.8628 | |
| 136 | I | A | 0.0000 | |
| 137 | L | A | -1.5506 | |
| 138 | G | A | -1.9249 | |
| 139 | H | A | -1.9501 | |
| 140 | K | A | -2.4838 | |
| 141 | L | A | -1.7667 | |
| 142 | E | A | -1.9759 | |
| 143 | Y | A | -0.7632 | |
| 144 | N | A | -0.5583 | |
| 145 | Y | A | -0.8581 | |
| 146 | N | A | -1.2044 | |
| 147 | S | A | -1.2802 | |
| 148 | H | A | -1.4557 | |
| 149 | N | A | -1.3657 | |
| 150 | V | A | 0.0000 | |
| 151 | Y | A | 0.3594 | |
| 152 | I | A | 0.0000 | |
| 153 | M | A | -0.6527 | |
| 154 | A | A | -1.6154 | |
| 155 | D | A | -2.1510 | |
| 156 | K | A | -3.1177 | |
| 157 | Q | A | -3.1487 | |
| 158 | K | A | -3.3154 | |
| 159 | N | A | -2.5738 | |
| 160 | G | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | K | A | -0.8836 | |
| 163 | V | A | 0.0000 | |
| 164 | N | A | -0.7372 | |
| 165 | F | A | 0.0000 | |
| 166 | K | A | -1.6484 | |
| 167 | I | A | 0.0000 | |
| 168 | R | A | -1.7892 | |
| 169 | H | A | 0.0000 | |
| 170 | N | A | -1.5981 | |
| 171 | I | A | 0.0000 | |
| 172 | E | A | -3.3860 | |
| 173 | D | A | -3.0849 | |
| 174 | G | A | -1.9431 | |
| 175 | S | A | -1.1505 | |
| 176 | V | A | -0.5284 | |
| 177 | H | A | 0.0000 | |
| 178 | L | A | -0.8026 | |
| 179 | A | A | 0.0000 | |
| 180 | D | A | 0.0000 | |
| 181 | H | A | 0.0000 | |
| 182 | Y | A | 0.0000 | |
| 183 | Q | A | 0.0000 | |
| 184 | Q | A | -0.6877 | |
| 185 | N | A | 0.0000 | |
| 186 | T | A | -0.6119 | |
| 187 | P | A | -0.7911 | |
| 188 | I | A | -0.3701 | |
| 189 | G | A | -1.2069 | |
| 190 | D | A | -1.9941 | |
| 191 | G | A | -1.2522 | |
| 192 | P | A | -0.6356 | |
| 193 | V | A | -0.2288 | |
| 194 | L | A | -0.4075 | |
| 195 | L | A | -0.7184 | |
| 196 | P | A | 0.0000 | |
| 197 | D | A | -2.2893 | |
| 198 | N | A | -1.4986 | |
| 199 | H | A | 0.0000 | |
| 200 | Y | A | 0.0168 | |
| 201 | L | A | 0.0000 | |
| 202 | S | A | -0.6393 | |
| 203 | T | A | -0.8340 | |
| 204 | Q | A | -1.1833 | |
| 205 | S | A | 0.0000 | |
| 206 | A | A | 0.0070 | |
| 207 | L | A | -0.0774 | |
| 208 | S | A | -0.7915 | |
| 209 | K | A | -1.8934 | |
| 210 | D | A | -2.2354 | |
| 211 | P | A | -1.8544 | |
| 212 | N | A | -2.5032 | |
| 213 | E | A | -2.7236 | |
| 214 | K | A | -3.1685 | |
| 215 | R | A | -3.3617 | |
| 216 | D | A | -2.2333 | |
| 217 | H | A | 0.0000 | |
| 218 | M | A | 0.0000 | |
| 219 | V | A | -0.4867 | |
| 220 | L | A | 0.0000 | |
| 221 | L | A | 0.2968 | |
| 222 | E | A | -0.0833 | |
| 223 | F | A | 0.2493 | |
| 224 | V | A | 0.0000 | |
| 225 | T | A | -0.4472 | |
| 226 | A | A | 0.0000 | |
| 227 | A | A | -0.5815 | |
| 228 | G | A | -0.6238 | |
| 5 | D | D | -2.5904 | |
| 6 | V | D | 0.0000 | |
| 7 | Q | D | -1.3552 | |
| 8 | L | D | 0.2581 | |
| 9 | V | D | 1.2311 | |
| 10 | E | D | 0.3156 | |
| 11 | S | D | -0.4706 | |
| 12 | G | D | -1.0079 | |
| 13 | G | D | -0.7863 | |
| 14 | G | D | -0.0669 | |
| 15 | L | D | 0.9286 | |
| 16 | V | D | 0.0000 | |
| 17 | Q | D | -1.4010 | |
| 18 | P | D | -1.6196 | |
| 19 | G | D | -1.7388 | |
| 20 | G | D | -1.4864 | |
| 21 | S | D | -1.7880 | |
| 22 | L | D | -1.4032 | |
| 23 | R | D | -2.1514 | |
| 24 | L | D | 0.0000 | |
| 25 | S | D | -0.3751 | |
| 26 | C | D | 0.0000 | |
| 27 | A | D | -0.0598 | |
| 28 | A | D | -0.5076 | |
| 29 | S | D | -1.2891 | |
| 30 | G | D | -1.9703 | |
| 31 | E | D | -2.4273 | |
| 32 | I | D | -0.8907 | |
| 33 | A | D | -0.4709 | |
| 34 | S | D | -0.7783 | |
| 35 | I | D | 0.0000 | |
| 36 | I | D | 0.0000 | |
| 37 | A | D | 0.0000 | |
| 38 | I | D | 0.0000 | |
| 39 | G | D | 0.0000 | |
| 40 | W | D | 0.0000 | |
| 41 | Y | D | 0.0000 | |
| 42 | R | D | 0.0000 | |
| 43 | Q | D | -1.7378 | |
| 44 | A | D | -1.7805 | |
| 45 | P | D | -1.5478 | |
| 46 | G | D | -1.8355 | |
| 47 | K | D | -2.9228 | |
| 48 | Q | D | -2.7031 | |
| 49 | R | D | -2.0343 | |
| 50 | E | D | -1.6019 | |
| 51 | S | D | -0.8523 | |
| 52 | V | D | 0.0000 | |
| 53 | A | D | 0.0000 | |
| 54 | L | D | 0.0000 | |
| 55 | I | D | 0.0000 | |
| 56 | T | D | 0.0000 | |
| 57 | R | D | -1.8142 | |
| 58 | S | D | -1.1531 | |
| 59 | G | D | -0.7972 | |
| 60 | M | D | 0.0000 | |
| 61 | I | D | 0.1032 | |
| 62 | T | D | 0.0000 | |
| 63 | Y | D | -0.7486 | |
| 64 | G | D | -1.4986 | |
| 65 | D | D | -2.3802 | |
| 66 | S | D | -1.5626 | |
| 67 | A | D | 0.0000 | |
| 68 | Q | D | -1.9569 | |
| 69 | G | D | -1.6726 | |
| 70 | R | D | -1.7128 | |
| 71 | F | D | 0.0000 | |
| 72 | T | D | -0.6292 | |
| 73 | I | D | 0.0000 | |
| 74 | S | D | -0.4985 | |
| 75 | R | D | -1.5150 | |
| 76 | D | D | -1.9252 | |
| 77 | D | D | -2.8227 | |
| 78 | A | D | -1.8841 | |
| 79 | K | D | -2.5081 | |
| 80 | N | D | -1.8823 | |
| 81 | T | D | -1.0670 | |
| 82 | V | D | 0.0000 | |
| 83 | Y | D | -0.4024 | |
| 84 | L | D | 0.0000 | |
| 85 | H | D | -1.2215 | |
| 86 | M | D | 0.0000 | |
| 87 | D | D | -2.4255 | |
| 88 | D | D | -2.6137 | |
| 89 | L | D | 0.0000 | |
| 90 | V | D | -0.8620 | |
| 91 | P | D | -1.0892 | |
| 92 | E | D | -1.7349 | |
| 93 | D | D | 0.0000 | |
| 94 | T | D | -0.6564 | |
| 95 | A | D | 0.0000 | |
| 96 | V | D | -0.5087 | |
| 97 | Y | D | 0.0000 | |
| 98 | Y | D | -0.2262 | |
| 99 | C | D | 0.0000 | |
| 100 | N | D | 0.0000 | |
| 101 | A | D | 0.0000 | |
| 102 | K | D | 0.0000 | |
| 103 | K | D | -0.1086 | |
| 104 | V | D | -0.0226 | |
| 105 | S | D | 0.0373 | |
| 106 | F | D | 0.3250 | |
| 107 | G | D | -0.1518 | |
| 108 | D | D | -0.2813 | |
| 109 | Y | D | -0.3795 | |
| 110 | W | D | 0.2727 | |
| 111 | G | D | -0.0284 | |
| 112 | Q | D | -0.7117 | |
| 113 | G | D | 0.0000 | |
| 114 | T | D | -0.9089 | |
| 115 | Q | D | -1.0069 | |
| 116 | V | D | 0.0000 | |
| 117 | T | D | -0.2407 | |
| 118 | V | D | 0.0000 | |
| 119 | S | D | -0.6955 | |
| 120 | G | D | -0.8176 |
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