| Chain sequence(s) |
A: AGFTPSGTTGTTKLTVTEECQVRVGDLTVAKTRGQLTDAAPIGPVTVQALGCDARQVALKADTDNFEQGKFFLISDNNRDKLYVNIRPTDNSAWTTDNGVFYKNDVGSWGGIIGIYVDGQQTNTPPGNYTLTLTGGYWAK
C: AGFTPSGTTGTTKLTVTEECQVRVGDLTVAKTRGQLTDAAPIGPVTVQALGCDARQVALKADTDNFEQGKFFLISDNNRDKLYVNIRPTDNSAWTTDNGVFYKNDVGSWGGIIGIYVDGQQTNTPPGNYTLTLTGGYWAK B: AGFTPSGTTGTTKLTVTEECQVRVGDLTVAKTRGQLTDAAPIGPVTVQALGCDARQVALKADTDNFEQGKFFLISDNNRDKLYVNIRPTDNSAWTTDNGVFYKNDVGSWGGIIGIYVDGQQTNTPPGNYTLTLTGGYWAK input PDB |
| Selected Chain(s) | A,C,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 (00:04:51)
[INFO] Main: Simulation completed successfully. (00:04:54)
|
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 | |
| 21 | A | A | -0.7754 | |
| 22 | G | A | -0.7192 | |
| 23 | F | A | -0.4146 | |
| 24 | T | A | -0.2021 | |
| 25 | P | A | -0.4171 | |
| 26 | S | A | 0.0000 | |
| 27 | G | A | 0.0000 | |
| 28 | T | A | 0.0000 | |
| 29 | T | A | -0.7324 | |
| 30 | G | A | -0.5977 | |
| 31 | T | A | -0.8776 | |
| 32 | T | A | -0.6315 | |
| 33 | K | A | -1.1426 | |
| 34 | L | A | 0.0000 | |
| 35 | T | A | 0.0000 | |
| 36 | V | A | 0.0000 | |
| 37 | T | A | 0.0000 | |
| 38 | E | A | -1.8056 | |
| 39 | E | A | -2.3471 | |
| 40 | C | A | 0.0000 | |
| 41 | Q | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | R | A | -0.4246 | |
| 44 | V | A | 0.0000 | |
| 45 | G | A | -0.8712 | |
| 46 | D | A | -1.2023 | |
| 47 | L | A | 0.6821 | |
| 48 | T | A | 0.3782 | |
| 49 | V | A | 0.7252 | |
| 50 | A | A | 0.0000 | |
| 51 | K | A | -0.9876 | |
| 52 | T | A | -1.7253 | |
| 53 | R | A | -2.2710 | |
| 54 | G | A | -2.1398 | |
| 55 | Q | A | -2.2543 | |
| 56 | L | A | 0.0000 | |
| 57 | T | A | -2.1981 | |
| 58 | D | A | -2.7692 | |
| 59 | A | A | -1.3753 | |
| 60 | A | A | -1.2179 | |
| 61 | P | A | -0.7986 | |
| 62 | I | A | 0.0000 | |
| 63 | G | A | -0.1675 | |
| 64 | P | A | -0.3173 | |
| 65 | V | A | 0.0000 | |
| 66 | T | A | -0.4724 | |
| 67 | V | A | 0.0000 | |
| 68 | Q | A | -0.7195 | |
| 69 | A | A | 0.0000 | |
| 70 | L | A | -0.3278 | |
| 71 | G | A | -1.3622 | |
| 72 | C | A | 0.0000 | |
| 73 | D | A | -1.9439 | |
| 74 | A | A | -1.1893 | |
| 75 | R | A | -1.6146 | |
| 76 | Q | A | -1.2997 | |
| 77 | V | A | 0.0000 | |
| 78 | A | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | K | A | -1.1077 | |
| 81 | A | A | 0.0000 | |
| 82 | D | A | -2.2690 | |
| 83 | T | A | -1.9912 | |
| 84 | D | A | -2.6457 | |
| 85 | N | A | 0.0000 | |
| 86 | F | A | -2.4042 | |
| 87 | E | A | -3.1131 | |
| 88 | Q | A | -3.0731 | |
| 89 | G | A | -2.3476 | |
| 90 | K | A | -2.5931 | |
| 91 | F | A | 0.0000 | |
| 92 | F | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | I | A | -2.0078 | |
| 95 | S | A | 0.0000 | |
| 96 | D | A | -3.3792 | |
| 97 | N | A | -3.5436 | |
| 98 | N | A | -3.7256 | |
| 99 | R | A | -3.7263 | |
| 100 | D | A | -2.6976 | |
| 101 | K | A | -2.0597 | |
| 102 | L | A | 0.0000 | |
| 103 | Y | A | -0.8259 | |
| 104 | V | A | 0.0000 | |
| 105 | N | A | -1.7842 | |
| 106 | I | A | 0.0000 | |
| 107 | R | A | -1.6543 | |
| 108 | P | A | 0.0000 | |
| 109 | T | A | -1.4784 | |
| 110 | D | A | -2.5376 | |
| 111 | N | A | -2.3507 | |
| 112 | S | A | -1.7948 | |
| 113 | A | A | -1.2972 | |
| 114 | W | A | -1.0665 | |
| 115 | T | A | -0.5796 | |
| 116 | T | A | -1.1258 | |
| 117 | D | A | -1.8486 | |
| 118 | N | A | -2.5193 | |
| 119 | G | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | F | A | 0.0000 | |
| 122 | Y | A | -0.5201 | |
| 123 | K | A | -1.1062 | |
| 124 | N | A | -1.8766 | |
| 125 | D | A | -2.1367 | |
| 126 | V | A | -0.6894 | |
| 127 | G | A | -1.1445 | |
| 128 | S | A | -0.9191 | |
| 129 | W | A | 0.0000 | |
| 130 | G | A | -0.7691 | |
| 131 | G | A | -0.6185 | |
| 132 | I | A | -0.2682 | |
| 133 | I | A | 0.0000 | |
| 134 | G | A | 0.0000 | |
| 135 | I | A | 0.0000 | |
| 136 | Y | A | -0.9071 | |
| 137 | V | A | 0.0000 | |
| 138 | D | A | -1.7642 | |
| 139 | G | A | -1.8363 | |
| 140 | Q | A | -2.5882 | |
| 141 | Q | A | -2.0087 | |
| 142 | T | A | -1.9550 | |
| 143 | N | A | -1.8029 | |
| 144 | T | A | 0.0000 | |
| 145 | P | A | -0.9900 | |
| 146 | P | A | -0.8433 | |
| 147 | G | A | -1.0760 | |
| 148 | N | A | -1.3906 | |
| 149 | Y | A | 0.0000 | |
| 150 | T | A | -1.1284 | |
| 151 | L | A | 0.0000 | |
| 152 | T | A | -1.0135 | |
| 153 | L | A | 0.0000 | |
| 154 | T | A | -0.6498 | |
| 155 | G | A | 0.0000 | |
| 156 | G | A | 0.0000 | |
| 157 | Y | A | 0.0000 | |
| 158 | W | A | 0.0000 | |
| 159 | A | A | -1.0941 | |
| 160 | K | A | -1.8182 | |
| 21 | A | B | -0.6123 | |
| 22 | G | B | -0.6687 | |
| 23 | F | B | -0.2370 | |
| 24 | T | B | -0.1521 | |
| 25 | P | B | -0.3747 | |
| 26 | S | B | 0.0000 | |
| 27 | G | B | 0.0000 | |
| 28 | T | B | 0.0000 | |
| 29 | T | B | -0.6828 | |
| 30 | G | B | 0.0000 | |
| 31 | T | B | -0.8469 | |
| 32 | T | B | -0.6550 | |
| 33 | K | B | -1.1901 | |
| 34 | L | B | 0.0000 | |
| 35 | T | B | 0.0000 | |
| 36 | V | B | 0.0000 | |
| 37 | T | B | 0.0000 | |
| 38 | E | B | -1.8967 | |
| 39 | E | B | -2.4019 | |
| 40 | C | B | 0.0000 | |
| 41 | Q | B | 0.0000 | |
| 42 | V | B | 0.0000 | |
| 43 | R | B | -0.4798 | |
| 44 | V | B | 0.0000 | |
| 45 | G | B | -0.9422 | |
| 46 | D | B | -1.1383 | |
| 47 | L | B | 0.6617 | |
| 48 | T | B | 0.3872 | |
| 49 | V | B | 0.6171 | |
| 50 | A | B | 0.0000 | |
| 51 | K | B | -0.9684 | |
| 52 | T | B | -1.7676 | |
| 53 | R | B | -2.2124 | |
| 54 | G | B | -2.1669 | |
| 55 | Q | B | -2.2885 | |
| 56 | L | B | 0.0000 | |
| 57 | T | B | -2.2273 | |
| 58 | D | B | -2.7641 | |
| 59 | A | B | -1.4061 | |
| 60 | A | B | -1.2247 | |
| 61 | P | B | -0.8068 | |
| 62 | I | B | 0.0000 | |
| 63 | G | B | -0.1712 | |
| 64 | P | B | -0.3073 | |
| 65 | V | B | 0.0000 | |
| 66 | T | B | -0.4751 | |
| 67 | V | B | 0.0000 | |
| 68 | Q | B | -0.6578 | |
| 69 | A | B | 0.0000 | |
| 70 | L | B | -0.2540 | |
| 71 | G | B | -1.3146 | |
| 72 | C | B | 0.0000 | |
| 73 | D | B | -1.8883 | |
| 74 | A | B | -1.1471 | |
| 75 | R | B | -1.4596 | |
| 76 | Q | B | -1.1630 | |
| 77 | V | B | 0.0000 | |
| 78 | A | B | 0.0000 | |
| 79 | L | B | 0.0000 | |
| 80 | K | B | -1.1432 | |
| 81 | A | B | 0.0000 | |
| 82 | D | B | -2.3957 | |
| 83 | T | B | -2.1930 | |
| 84 | D | B | -3.0622 | |
| 85 | N | B | 0.0000 | |
| 86 | F | B | -2.4879 | |
| 87 | E | B | -3.1284 | |
| 88 | Q | B | -2.9229 | |
| 89 | G | B | -2.3047 | |
| 90 | K | B | -2.3324 | |
| 91 | F | B | 0.0000 | |
| 92 | F | B | 0.0000 | |
| 93 | L | B | 0.0000 | |
| 94 | I | B | -2.0934 | |
| 95 | S | B | 0.0000 | |
| 96 | D | B | -3.3551 | |
| 97 | N | B | -3.5558 | |
| 98 | N | B | -3.8669 | |
| 99 | R | B | -3.8114 | |
| 100 | D | B | -2.6906 | |
| 101 | K | B | -2.0312 | |
| 102 | L | B | 0.0000 | |
| 103 | Y | B | -0.9398 | |
| 104 | V | B | 0.0000 | |
| 105 | N | B | -1.9318 | |
| 106 | I | B | 0.0000 | |
| 107 | R | B | -1.6520 | |
| 108 | P | B | 0.0000 | |
| 109 | T | B | -1.4764 | |
| 110 | D | B | -2.5402 | |
| 111 | N | B | -2.3478 | |
| 112 | S | B | -1.7516 | |
| 113 | A | B | -1.2454 | |
| 114 | W | B | -0.9518 | |
| 115 | T | B | -0.5657 | |
| 116 | T | B | -0.9063 | |
| 117 | D | B | -1.4557 | |
| 118 | N | B | -2.3860 | |
| 119 | G | B | 0.0000 | |
| 120 | V | B | 0.0000 | |
| 121 | F | B | 0.0000 | |
| 122 | Y | B | -0.3773 | |
| 123 | K | B | 0.0000 | |
| 124 | N | B | -1.8025 | |
| 125 | D | B | -2.0680 | |
| 126 | V | B | -0.6008 | |
| 127 | G | B | -1.0541 | |
| 128 | S | B | -0.8397 | |
| 129 | W | B | -0.5501 | |
| 130 | G | B | -0.7048 | |
| 131 | G | B | -0.5937 | |
| 132 | I | B | -0.2476 | |
| 133 | I | B | 0.0000 | |
| 134 | G | B | 0.0000 | |
| 135 | I | B | 0.0000 | |
| 136 | Y | B | -0.9357 | |
| 137 | V | B | 0.0000 | |
| 138 | D | B | -1.7524 | |
| 139 | G | B | -1.8494 | |
| 140 | Q | B | -2.5591 | |
| 141 | Q | B | -2.0355 | |
| 142 | T | B | -1.9877 | |
| 143 | N | B | -1.8174 | |
| 144 | T | B | 0.0000 | |
| 145 | P | B | -0.9994 | |
| 146 | P | B | -0.8337 | |
| 147 | G | B | -1.0164 | |
| 148 | N | B | -1.2475 | |
| 149 | Y | B | 0.0000 | |
| 150 | T | B | -1.1555 | |
| 151 | L | B | 0.0000 | |
| 152 | T | B | -1.0569 | |
| 153 | L | B | 0.0000 | |
| 154 | T | B | -0.6412 | |
| 155 | G | B | 0.0000 | |
| 156 | G | B | 0.0000 | |
| 157 | Y | B | -0.0741 | |
| 158 | W | B | 0.0000 | |
| 159 | A | B | -1.0494 | |
| 160 | K | B | -1.8062 | |
| 21 | A | C | -0.9918 | |
| 22 | G | C | -0.7395 | |
| 23 | F | C | -0.3445 | |
| 24 | T | C | -0.1983 | |
| 25 | P | C | -0.4106 | |
| 26 | S | C | 0.0000 | |
| 27 | G | C | 0.0000 | |
| 28 | T | C | 0.0000 | |
| 29 | T | C | -0.7178 | |
| 30 | G | C | -0.5857 | |
| 31 | T | C | -0.8997 | |
| 32 | T | C | -0.7396 | |
| 33 | K | C | -1.3467 | |
| 34 | L | C | 0.0000 | |
| 35 | T | C | 0.0000 | |
| 36 | V | C | 0.0000 | |
| 37 | T | C | 0.0000 | |
| 38 | E | C | -1.6688 | |
| 39 | E | C | -2.2710 | |
| 40 | C | C | 0.0000 | |
| 41 | Q | C | 0.0000 | |
| 42 | V | C | 0.0000 | |
| 43 | R | C | -0.4453 | |
| 44 | V | C | 0.0000 | |
| 45 | G | C | -0.8796 | |
| 46 | D | C | -1.1897 | |
| 47 | L | C | 0.6708 | |
| 48 | T | C | 0.3669 | |
| 49 | V | C | 0.6965 | |
| 50 | A | C | 0.0000 | |
| 51 | K | C | -0.8994 | |
| 52 | T | C | -1.6004 | |
| 53 | R | C | -1.9667 | |
| 54 | G | C | -1.9492 | |
| 55 | Q | C | -2.1010 | |
| 56 | L | C | 0.0000 | |
| 57 | T | C | -2.1291 | |
| 58 | D | C | -2.6725 | |
| 59 | A | C | -1.2857 | |
| 60 | A | C | -1.1415 | |
| 61 | P | C | -0.6979 | |
| 62 | I | C | 0.0000 | |
| 63 | G | C | -0.2034 | |
| 64 | P | C | -0.3225 | |
| 65 | V | C | 0.0000 | |
| 66 | T | C | -0.4133 | |
| 67 | V | C | 0.0000 | |
| 68 | Q | C | -0.4929 | |
| 69 | A | C | 0.0000 | |
| 70 | L | C | -0.2832 | |
| 71 | G | C | -1.2856 | |
| 72 | C | C | 0.0000 | |
| 73 | D | C | -1.8965 | |
| 74 | A | C | -1.1545 | |
| 75 | R | C | -1.3143 | |
| 76 | Q | C | 0.0000 | |
| 77 | V | C | 0.0000 | |
| 78 | A | C | 0.0000 | |
| 79 | L | C | 0.0000 | |
| 80 | K | C | -1.0946 | |
| 81 | A | C | 0.0000 | |
| 82 | D | C | -2.1401 | |
| 83 | T | C | -1.7560 | |
| 84 | D | C | -2.3680 | |
| 85 | N | C | 0.0000 | |
| 86 | F | C | -1.8421 | |
| 87 | E | C | -2.1796 | |
| 88 | Q | C | -2.2970 | |
| 89 | G | C | -2.3377 | |
| 90 | K | C | -2.2098 | |
| 91 | F | C | 0.0000 | |
| 92 | F | C | 0.0000 | |
| 93 | L | C | 0.0000 | |
| 94 | I | C | -1.8745 | |
| 95 | S | C | 0.0000 | |
| 96 | D | C | -3.1699 | |
| 97 | N | C | -3.4649 | |
| 98 | N | C | -3.6363 | |
| 99 | R | C | -3.4934 | |
| 100 | D | C | -2.3078 | |
| 101 | K | C | -1.5666 | |
| 102 | L | C | 0.0000 | |
| 103 | Y | C | -0.8063 | |
| 104 | V | C | 0.0000 | |
| 105 | N | C | -1.4723 | |
| 106 | I | C | 0.0000 | |
| 107 | R | C | -1.7982 | |
| 108 | P | C | 0.0000 | |
| 109 | T | C | -1.5223 | |
| 110 | D | C | -2.5581 | |
| 111 | N | C | -2.3925 | |
| 112 | S | C | -1.8063 | |
| 113 | A | C | -1.3219 | |
| 114 | W | C | -1.1125 | |
| 115 | T | C | -0.6598 | |
| 116 | T | C | -1.1138 | |
| 117 | D | C | -1.9405 | |
| 118 | N | C | -2.4639 | |
| 119 | G | C | 0.0000 | |
| 120 | V | C | 0.0000 | |
| 121 | F | C | 0.0000 | |
| 122 | Y | C | -0.5297 | |
| 123 | K | C | -1.0592 | |
| 124 | N | C | -1.8679 | |
| 125 | D | C | -2.1256 | |
| 126 | V | C | -0.6923 | |
| 127 | G | C | -1.0894 | |
| 128 | S | C | -0.8047 | |
| 129 | W | C | -0.5135 | |
| 130 | G | C | -0.6056 | |
| 131 | G | C | -0.5082 | |
| 132 | I | C | -0.2040 | |
| 133 | I | C | 0.0000 | |
| 134 | G | C | 0.0000 | |
| 135 | I | C | 0.0000 | |
| 136 | Y | C | -0.8067 | |
| 137 | V | C | 0.0000 | |
| 138 | D | C | -1.5213 | |
| 139 | G | C | -1.7516 | |
| 140 | Q | C | -2.5139 | |
| 141 | Q | C | -1.9827 | |
| 142 | T | C | -1.8937 | |
| 143 | N | C | -1.7699 | |
| 144 | T | C | 0.0000 | |
| 145 | P | C | -0.8530 | |
| 146 | P | C | -0.7070 | |
| 147 | G | C | -0.9549 | |
| 148 | N | C | -1.2862 | |
| 149 | Y | C | 0.0000 | |
| 150 | T | C | -1.1642 | |
| 151 | L | C | 0.0000 | |
| 152 | T | C | -1.0094 | |
| 153 | L | C | 0.0000 | |
| 154 | T | C | -0.6276 | |
| 155 | G | C | 0.0000 | |
| 156 | G | C | 0.0000 | |
| 157 | Y | C | 0.0000 | |
| 158 | W | C | 0.0000 | |
| 159 | A | C | -0.9234 | |
| 160 | K | C | -1.6889 |
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