| Chain sequence(s) |
A: DAPTVNDVTSDATQVTGQAEPNSTVKLTFPDGTTATGTADDQGNYTIDIPSNVDLNGGEELQVTATDKDGNTSEPSSANVTDTTAPDAPTVNDVTSDATQVTGQAEPNSTVKLTFPDGTTATGTADDQGNYTIDIPSNVDLNGGEELQVTATDKDGNTSESTNTTII
B: DAPTVNDVTSDATQVTGQAEPNSTVKLTFPDGTTATGTADDQGNYTIDIPSNVDLNGGEELQVTATDKDGNTSEPSSANVTDTTAPDAPTVNDVTSDATQVTGQAEPNSTVKLTFPDGTTATGTADDQGNYTIDIPSNVDLNGGEELQVTATDKDGNTSESTNTTII input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 5 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 (00:01:47)
[INFO] Main: Simulation completed successfully. (00:01:49)
|
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 | |
| 29 | D | A | -1.7837 | |
| 30 | A | A | -0.2971 | |
| 31 | P | A | 0.0000 | |
| 32 | T | A | -0.0176 | |
| 33 | V | A | 0.1786 | |
| 34 | N | A | -0.3444 | |
| 35 | D | A | -1.1696 | |
| 36 | V | A | 0.0000 | |
| 37 | T | A | 0.0000 | |
| 38 | S | A | -0.2324 | |
| 39 | D | A | -0.4391 | |
| 40 | A | A | -0.0858 | |
| 41 | T | A | -0.1214 | |
| 42 | Q | A | -0.5205 | |
| 43 | V | A | 0.0000 | |
| 44 | T | A | 0.0000 | |
| 45 | G | A | 0.0000 | |
| 46 | Q | A | -1.3136 | |
| 47 | A | A | -0.5572 | |
| 48 | E | A | -1.8423 | |
| 49 | P | A | -0.7633 | |
| 50 | N | A | -0.6248 | |
| 51 | S | A | 0.0000 | |
| 52 | T | A | -0.0355 | |
| 53 | V | A | 0.0000 | |
| 54 | K | A | -0.5608 | |
| 55 | L | A | 0.0000 | |
| 56 | T | A | -0.0362 | |
| 57 | F | A | 0.0000 | |
| 58 | P | A | -0.5804 | |
| 59 | D | A | -1.9201 | |
| 60 | G | A | -0.7954 | |
| 61 | T | A | -0.1294 | |
| 62 | T | A | -0.0787 | |
| 63 | A | A | -0.0198 | |
| 64 | T | A | -0.1522 | |
| 65 | G | A | -0.0880 | |
| 66 | T | A | -0.0855 | |
| 67 | A | A | 0.0000 | |
| 68 | D | A | -1.3848 | |
| 69 | D | A | -2.2157 | |
| 70 | Q | A | -1.5252 | |
| 71 | G | A | 0.0000 | |
| 72 | N | A | -1.1502 | |
| 73 | Y | A | 0.0000 | |
| 74 | T | A | -0.0656 | |
| 75 | I | A | 0.0000 | |
| 76 | D | A | -1.7854 | |
| 77 | I | A | -0.1299 | |
| 78 | P | A | -0.0412 | |
| 79 | S | A | -0.4527 | |
| 80 | N | A | -1.2789 | |
| 81 | V | A | -0.3743 | |
| 82 | D | A | -1.7271 | |
| 83 | L | A | -0.4025 | |
| 84 | N | A | -1.2690 | |
| 85 | G | A | -0.4809 | |
| 86 | G | A | -0.5458 | |
| 87 | E | A | -0.7307 | |
| 88 | E | A | -2.0284 | |
| 89 | L | A | 0.0000 | |
| 90 | Q | A | -0.7730 | |
| 91 | V | A | 0.0000 | |
| 92 | T | A | -0.0369 | |
| 93 | A | A | 0.0000 | |
| 94 | T | A | -0.1616 | |
| 95 | D | A | -1.0891 | |
| 96 | K | A | -2.1713 | |
| 97 | D | A | -2.1872 | |
| 98 | G | A | -1.0305 | |
| 99 | N | A | -1.3715 | |
| 100 | T | A | -0.3078 | |
| 101 | S | A | -0.3769 | |
| 102 | E | A | -1.8706 | |
| 103 | P | A | -0.5954 | |
| 104 | S | A | -0.1178 | |
| 105 | S | A | -0.2992 | |
| 106 | A | A | -0.2688 | |
| 107 | N | A | -1.4885 | |
| 108 | V | A | 0.0000 | |
| 109 | T | A | -0.0534 | |
| 110 | D | A | -0.2534 | |
| 111 | T | A | 0.0000 | |
| 112 | T | A | -0.0309 | |
| 113 | A | A | -0.0137 | |
| 114 | P | A | -0.3604 | |
| 115 | D | A | -1.7908 | |
| 116 | A | A | -0.3144 | |
| 117 | P | A | 0.0000 | |
| 118 | T | A | -0.0275 | |
| 119 | V | A | 0.0107 | |
| 120 | N | A | -1.3934 | |
| 121 | D | A | -1.9933 | |
| 122 | V | A | 0.0000 | |
| 123 | T | A | 0.2081 | |
| 124 | S | A | -0.4554 | |
| 125 | D | A | -1.8091 | |
| 126 | A | A | -0.3268 | |
| 127 | T | A | -0.2181 | |
| 128 | Q | A | -1.0781 | |
| 129 | V | A | 0.0000 | |
| 130 | T | A | -0.0282 | |
| 131 | G | A | 0.0000 | |
| 132 | Q | A | -0.8516 | |
| 133 | A | A | -0.4403 | |
| 134 | E | A | -1.6191 | |
| 135 | P | A | -0.8412 | |
| 136 | N | A | -1.2958 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | -0.0384 | |
| 139 | V | A | 0.0000 | |
| 140 | K | A | -0.5488 | |
| 141 | L | A | 0.0000 | |
| 142 | T | A | -0.0203 | |
| 143 | F | A | 0.0000 | |
| 144 | P | A | 0.0000 | |
| 145 | D | A | -1.5419 | |
| 146 | G | A | -0.5207 | |
| 147 | T | A | -0.1191 | |
| 148 | T | A | -0.0825 | |
| 149 | A | A | -0.0175 | |
| 150 | T | A | -0.1447 | |
| 151 | G | A | -0.0841 | |
| 152 | T | A | -0.0852 | |
| 153 | A | A | 0.0000 | |
| 154 | D | A | -1.7075 | |
| 155 | D | A | -2.2729 | |
| 156 | Q | A | -1.5222 | |
| 157 | G | A | 0.0000 | |
| 158 | N | A | -0.5575 | |
| 159 | Y | A | 0.0000 | |
| 160 | T | A | -0.0734 | |
| 161 | I | A | 0.0000 | |
| 162 | D | A | -1.9033 | |
| 163 | I | A | 0.0000 | |
| 164 | P | A | -0.1437 | |
| 165 | S | A | -0.4641 | |
| 166 | N | A | -1.2522 | |
| 167 | V | A | -0.2359 | |
| 168 | D | A | -1.7294 | |
| 169 | L | A | 0.0000 | |
| 170 | N | A | -0.3514 | |
| 171 | G | A | -0.0141 | |
| 172 | G | A | -0.0864 | |
| 173 | E | A | 0.0000 | |
| 174 | E | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | Q | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | T | A | -0.0137 | |
| 179 | A | A | 0.0000 | |
| 180 | T | A | 0.0000 | |
| 181 | D | A | -0.5216 | |
| 182 | K | A | -2.0684 | |
| 183 | D | A | -2.1890 | |
| 184 | G | A | -0.8272 | |
| 185 | N | A | -0.2500 | |
| 186 | T | A | -0.0438 | |
| 187 | S | A | 0.0000 | |
| 188 | E | A | -1.8298 | |
| 189 | S | A | -0.3958 | |
| 190 | T | A | -0.1348 | |
| 191 | N | A | -0.6114 | |
| 192 | T | A | -0.1279 | |
| 193 | T | A | -0.0308 | |
| 194 | I | A | 0.0000 | |
| 195 | I | A | 1.9872 | |
| 29 | D | B | -1.7811 | |
| 30 | A | B | -0.2826 | |
| 31 | P | B | 0.0000 | |
| 32 | T | B | -0.0051 | |
| 33 | V | B | 0.2526 | |
| 34 | N | B | -0.2943 | |
| 35 | D | B | -1.1124 | |
| 36 | V | B | 0.0000 | |
| 37 | T | B | 0.0000 | |
| 38 | S | B | -0.2237 | |
| 39 | D | B | -0.3689 | |
| 40 | A | B | -0.0739 | |
| 41 | T | B | -0.1431 | |
| 42 | Q | B | -0.6486 | |
| 43 | V | B | 0.0000 | |
| 44 | T | B | 0.0000 | |
| 45 | G | B | 0.0000 | |
| 46 | Q | B | -0.7317 | |
| 47 | A | B | -0.4455 | |
| 48 | E | B | -1.8445 | |
| 49 | P | B | -0.8885 | |
| 50 | N | B | -1.2989 | |
| 51 | S | B | 0.0000 | |
| 52 | T | B | -0.0365 | |
| 53 | V | B | 0.0000 | |
| 54 | K | B | -0.5213 | |
| 55 | L | B | 0.0000 | |
| 56 | T | B | -0.0729 | |
| 57 | F | B | 0.0000 | |
| 58 | P | B | -0.5818 | |
| 59 | D | B | -1.9215 | |
| 60 | G | B | -0.7974 | |
| 61 | T | B | -0.1123 | |
| 62 | T | B | -0.0597 | |
| 63 | A | B | -0.0173 | |
| 64 | T | B | -0.1418 | |
| 65 | G | B | -0.0869 | |
| 66 | T | B | -0.0854 | |
| 67 | A | B | 0.0000 | |
| 68 | D | B | -1.5536 | |
| 69 | D | B | -2.2501 | |
| 70 | Q | B | -1.5275 | |
| 71 | G | B | 0.0000 | |
| 72 | N | B | -1.0708 | |
| 73 | Y | B | 0.0000 | |
| 74 | T | B | -0.0480 | |
| 75 | I | B | 0.0000 | |
| 76 | D | B | -1.8086 | |
| 77 | I | B | -0.1775 | |
| 78 | P | B | -0.0522 | |
| 79 | S | B | -0.4567 | |
| 80 | N | B | -1.2793 | |
| 81 | V | B | -0.3908 | |
| 82 | D | B | -1.7562 | |
| 83 | L | B | 0.0000 | |
| 84 | N | B | -1.2980 | |
| 85 | G | B | -0.4767 | |
| 86 | G | B | -0.5458 | |
| 87 | E | B | -0.6251 | |
| 88 | E | B | -1.4489 | |
| 89 | L | B | 0.0000 | |
| 90 | Q | B | -0.4139 | |
| 91 | V | B | 0.0000 | |
| 92 | T | B | -0.0365 | |
| 93 | A | B | 0.0000 | |
| 94 | T | B | -0.1758 | |
| 95 | D | B | -1.1681 | |
| 96 | K | B | -2.1836 | |
| 97 | D | B | -2.1853 | |
| 98 | G | B | -1.0294 | |
| 99 | N | B | -1.3710 | |
| 100 | T | B | -0.3027 | |
| 101 | S | B | 0.0000 | |
| 102 | E | B | -1.8633 | |
| 103 | P | B | -0.5783 | |
| 104 | S | B | -0.1144 | |
| 105 | S | B | -0.2431 | |
| 106 | A | B | -0.2646 | |
| 107 | N | B | -1.4213 | |
| 108 | V | B | 0.0000 | |
| 109 | T | B | -0.0587 | |
| 110 | D | B | -0.2176 | |
| 111 | T | B | 0.0000 | |
| 112 | T | B | -0.0337 | |
| 113 | A | B | -0.0084 | |
| 114 | P | B | 0.0000 | |
| 115 | D | B | -1.7868 | |
| 116 | A | B | -0.5015 | |
| 117 | P | B | 0.0000 | |
| 118 | T | B | -0.0268 | |
| 119 | V | B | -0.0133 | |
| 120 | N | B | -1.5590 | |
| 121 | D | B | -2.0243 | |
| 122 | V | B | 0.0000 | |
| 123 | T | B | 0.2112 | |
| 124 | S | B | -0.4780 | |
| 125 | D | B | -1.8060 | |
| 126 | A | B | -0.3303 | |
| 127 | T | B | -0.2290 | |
| 128 | Q | B | -1.1252 | |
| 129 | V | B | 0.0000 | |
| 130 | T | B | -0.0238 | |
| 131 | G | B | 0.0000 | |
| 132 | Q | B | -1.2968 | |
| 133 | A | B | -0.5333 | |
| 134 | E | B | -1.7263 | |
| 135 | P | B | -0.6902 | |
| 136 | N | B | -1.2999 | |
| 137 | S | B | 0.0000 | |
| 138 | T | B | -0.0369 | |
| 139 | V | B | 0.0000 | |
| 140 | K | B | -0.5867 | |
| 141 | L | B | 0.0000 | |
| 142 | T | B | -0.0199 | |
| 143 | F | B | 0.0000 | |
| 144 | P | B | 0.0000 | |
| 145 | D | B | -1.5526 | |
| 146 | G | B | -0.4957 | |
| 147 | T | B | -0.1082 | |
| 148 | T | B | -0.0816 | |
| 149 | A | B | -0.0194 | |
| 150 | T | B | -0.1510 | |
| 151 | G | B | -0.0927 | |
| 152 | T | B | -0.0864 | |
| 153 | A | B | 0.0000 | |
| 154 | D | B | -1.2573 | |
| 155 | D | B | -2.1798 | |
| 156 | Q | B | -1.5263 | |
| 157 | G | B | 0.0000 | |
| 158 | N | B | -0.9430 | |
| 159 | Y | B | 0.0000 | |
| 160 | T | B | -0.0649 | |
| 161 | I | B | 0.0000 | |
| 162 | D | B | -1.8694 | |
| 163 | I | B | -0.1397 | |
| 164 | P | B | -0.0710 | |
| 165 | S | B | -0.4590 | |
| 166 | N | B | -1.2700 | |
| 167 | V | B | -0.3321 | |
| 168 | D | B | -1.7470 | |
| 169 | L | B | 0.0000 | |
| 170 | N | B | -0.4327 | |
| 171 | G | B | -0.0016 | |
| 172 | G | B | 0.0000 | |
| 173 | E | B | 0.0000 | |
| 174 | E | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | Q | B | 0.0000 | |
| 177 | V | B | 0.0000 | |
| 178 | T | B | -0.0164 | |
| 179 | A | B | 0.0000 | |
| 180 | T | B | -0.0469 | |
| 181 | D | B | -0.5166 | |
| 182 | K | B | -2.0634 | |
| 183 | D | B | -2.1850 | |
| 184 | G | B | -0.8221 | |
| 185 | N | B | -0.2275 | |
| 186 | T | B | -0.0413 | |
| 187 | S | B | 0.0000 | |
| 188 | E | B | -1.8327 | |
| 189 | S | B | -0.4180 | |
| 190 | T | B | -0.2604 | |
| 191 | N | B | -1.2769 | |
| 192 | T | B | -0.2508 | |
| 193 | T | B | -0.0226 | |
| 194 | I | B | 0.0000 | |
| 195 | I | B | 1.9883 |
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