| Chain sequence(s) |
A: RTPSDKPVAHVVANPQAEGQLQWLNDRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL
C: RTPSDKPVAHVVANPQAEGQLQWLNDRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL B: RTPSDKPVAHVVANPQAEGQLQWLNDRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL 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 (00:05:26)
[INFO] Main: Simulation completed successfully. (00:05:30)
|
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 | |
| 6 | R | A | -1.9966 | |
| 7 | T | A | -1.4938 | |
| 8 | P | A | -1.5120 | |
| 9 | S | A | -1.7899 | |
| 10 | D | A | -2.9858 | |
| 11 | K | A | -2.8837 | |
| 12 | P | A | -1.9362 | |
| 13 | V | A | 0.0000 | |
| 14 | A | A | 0.0000 | |
| 15 | H | A | 0.0000 | |
| 16 | V | A | 0.0000 | |
| 17 | V | A | 0.0000 | |
| 18 | A | A | 0.0000 | |
| 19 | N | A | 0.0000 | |
| 20 | P | A | -1.2116 | |
| 21 | Q | A | -1.9787 | |
| 22 | A | A | -2.1208 | |
| 23 | E | A | -3.1009 | |
| 24 | G | A | -2.9923 | |
| 25 | Q | A | -3.0060 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -1.8402 | |
| 28 | W | A | 0.0000 | |
| 29 | L | A | -1.1139 | |
| 30 | N | A | -1.6626 | |
| 31 | D | A | -2.4686 | |
| 32 | R | A | -2.0136 | |
| 33 | A | A | -1.2458 | |
| 34 | N | A | -1.1713 | |
| 35 | A | A | 0.0000 | |
| 36 | L | A | -0.5320 | |
| 37 | L | A | -0.4463 | |
| 38 | A | A | -1.1995 | |
| 39 | N | A | -2.3063 | |
| 40 | G | A | -1.3787 | |
| 41 | V | A | 0.0000 | |
| 42 | E | A | -2.1999 | |
| 43 | L | A | -1.9154 | |
| 44 | R | A | -3.2642 | |
| 45 | D | A | -3.2606 | |
| 46 | N | A | -2.6710 | |
| 47 | Q | A | -2.1735 | |
| 48 | L | A | 0.0000 | |
| 49 | V | A | -1.6420 | |
| 50 | V | A | 0.0000 | |
| 51 | P | A | 0.0000 | |
| 52 | S | A | -2.3416 | |
| 53 | E | A | -3.0225 | |
| 54 | G | A | -1.7759 | |
| 55 | L | A | 0.0000 | |
| 56 | Y | A | 0.0000 | |
| 57 | L | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | Y | A | 0.0000 | |
| 60 | S | A | 0.0000 | |
| 61 | Q | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 65 | K | A | -1.0295 | |
| 66 | G | A | -1.1690 | |
| 67 | Q | A | -1.8104 | |
| 68 | G | A | -1.9204 | |
| 69 | C | A | 0.0000 | |
| 70 | P | A | -1.0998 | |
| 71 | S | A | -0.5292 | |
| 72 | T | A | -0.8190 | |
| 73 | H | A | -0.5987 | |
| 74 | V | A | -0.1078 | |
| 75 | L | A | 0.3457 | |
| 76 | L | A | 0.0000 | |
| 77 | T | A | -0.3224 | |
| 78 | H | A | 0.0000 | |
| 79 | T | A | -0.6242 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | -0.8838 | |
| 82 | R | A | 0.0000 | |
| 83 | I | A | -0.6525 | |
| 84 | A | A | 0.0000 | |
| 85 | V | A | 0.2671 | |
| 86 | S | A | 0.0282 | |
| 87 | Y | A | 0.0806 | |
| 88 | Q | A | -0.9720 | |
| 89 | T | A | -1.0583 | |
| 90 | K | A | -1.8036 | |
| 91 | V | A | -0.7147 | |
| 92 | N | A | -0.6387 | |
| 93 | L | A | 0.0000 | |
| 94 | L | A | 0.0000 | |
| 95 | S | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | I | A | 0.2560 | |
| 98 | K | A | 0.0000 | |
| 99 | S | A | 0.0000 | |
| 100 | P | A | 0.0000 | |
| 101 | C | A | 0.0000 | |
| 102 | Q | A | -1.1007 | |
| 103 | R | A | -1.7561 | |
| 104 | E | A | -1.5595 | |
| 105 | T | A | -1.4610 | |
| 106 | P | A | -2.1996 | |
| 107 | E | A | -2.6503 | |
| 108 | G | A | -1.9372 | |
| 109 | A | A | -2.0783 | |
| 110 | E | A | -2.7715 | |
| 111 | A | A | -1.6670 | |
| 112 | K | A | 0.0000 | |
| 113 | P | A | -1.1934 | |
| 114 | W | A | 0.0000 | |
| 115 | Y | A | -0.2370 | |
| 116 | E | A | -0.2483 | |
| 117 | P | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | Y | A | 0.2081 | |
| 120 | L | A | 0.0000 | |
| 121 | G | A | 0.0000 | |
| 122 | G | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | F | A | 0.0000 | |
| 125 | Q | A | -1.1961 | |
| 126 | L | A | 0.0000 | |
| 127 | E | A | -2.6284 | |
| 128 | K | A | -2.6525 | |
| 129 | G | A | -1.3158 | |
| 130 | D | A | 0.0000 | |
| 131 | R | A | -1.6134 | |
| 132 | L | A | 0.0000 | |
| 133 | S | A | -1.2078 | |
| 134 | A | A | 0.0000 | |
| 135 | E | A | -2.3065 | |
| 136 | I | A | -1.5876 | |
| 137 | N | A | -1.6840 | |
| 138 | R | A | -2.2382 | |
| 139 | P | A | -2.6168 | |
| 140 | D | A | -2.8867 | |
| 141 | Y | A | -1.3867 | |
| 142 | L | A | -0.9330 | |
| 143 | D | A | 0.0000 | |
| 144 | F | A | -0.0160 | |
| 145 | A | A | -0.1082 | |
| 146 | E | A | -0.7914 | |
| 147 | S | A | -0.8193 | |
| 148 | G | A | -0.5708 | |
| 149 | Q | A | 0.0000 | |
| 150 | V | A | 0.0000 | |
| 151 | Y | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | I | A | 0.0000 | |
| 155 | I | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | L | A | -0.0780 | |
| 6 | R | B | -2.1464 | |
| 7 | T | B | -1.8009 | |
| 8 | P | B | -1.6724 | |
| 9 | S | B | -2.1707 | |
| 10 | D | B | -2.9882 | |
| 11 | K | B | -2.5058 | |
| 12 | P | B | -1.5985 | |
| 13 | V | B | 0.0000 | |
| 14 | A | B | 0.0000 | |
| 15 | H | B | 0.0000 | |
| 16 | V | B | 0.0000 | |
| 17 | V | B | -0.4512 | |
| 18 | A | B | 0.0000 | |
| 19 | N | B | 0.0000 | |
| 20 | P | B | -1.2920 | |
| 21 | Q | B | -1.9073 | |
| 22 | A | B | -2.0197 | |
| 23 | E | B | -3.1275 | |
| 24 | G | B | -2.6460 | |
| 25 | Q | B | -2.9030 | |
| 26 | L | B | 0.0000 | |
| 27 | Q | B | -1.6999 | |
| 28 | W | B | 0.0000 | |
| 29 | L | B | -0.8052 | |
| 30 | N | B | -1.5004 | |
| 31 | D | B | -2.4318 | |
| 32 | R | B | -2.1660 | |
| 33 | A | B | -1.0401 | |
| 34 | N | B | -0.8557 | |
| 35 | A | B | -0.8905 | |
| 36 | L | B | 0.0000 | |
| 37 | L | B | -0.3834 | |
| 38 | A | B | -0.9013 | |
| 39 | N | B | -1.5339 | |
| 40 | G | B | -1.2770 | |
| 41 | V | B | 0.0000 | |
| 42 | E | B | -2.1912 | |
| 43 | L | B | -1.8225 | |
| 44 | R | B | -3.1431 | |
| 45 | D | B | -3.1070 | |
| 46 | N | B | -2.2230 | |
| 47 | Q | B | -1.9183 | |
| 48 | L | B | 0.0000 | |
| 49 | V | B | -1.6376 | |
| 50 | V | B | 0.0000 | |
| 51 | P | B | -1.5527 | |
| 52 | S | B | -1.9206 | |
| 53 | E | B | -2.5698 | |
| 54 | G | B | -1.7354 | |
| 55 | L | B | 0.0000 | |
| 56 | Y | B | 0.0000 | |
| 57 | L | B | 0.0000 | |
| 58 | I | B | 0.0000 | |
| 59 | Y | B | 0.0000 | |
| 60 | S | B | 0.0000 | |
| 61 | Q | B | 0.0000 | |
| 62 | V | B | 0.0000 | |
| 63 | L | B | 0.0000 | |
| 64 | F | B | 0.0000 | |
| 65 | K | B | -1.0372 | |
| 66 | G | B | 0.0000 | |
| 67 | Q | B | -1.7952 | |
| 68 | G | B | -1.8532 | |
| 69 | C | B | 0.0000 | |
| 70 | P | B | -0.9595 | |
| 71 | S | B | -0.9431 | |
| 72 | T | B | -0.7373 | |
| 73 | H | B | -1.2229 | |
| 74 | V | B | 0.0000 | |
| 75 | L | B | -0.0353 | |
| 76 | L | B | 0.0000 | |
| 77 | T | B | -0.3096 | |
| 78 | H | B | 0.0000 | |
| 79 | T | B | -0.5031 | |
| 80 | I | B | 0.0000 | |
| 81 | S | B | 0.0000 | |
| 82 | R | B | 0.0000 | |
| 83 | I | B | -0.1723 | |
| 84 | A | B | 0.0000 | |
| 85 | V | B | 0.2722 | |
| 86 | S | B | 0.4161 | |
| 87 | Y | B | 0.9321 | |
| 88 | Q | B | -0.4670 | |
| 89 | T | B | -0.5299 | |
| 90 | K | B | -1.0697 | |
| 91 | V | B | 0.6886 | |
| 92 | N | B | -0.1735 | |
| 93 | L | B | 0.0000 | |
| 94 | L | B | 0.0000 | |
| 95 | S | B | 0.0000 | |
| 96 | A | B | 0.0000 | |
| 97 | I | B | 0.2136 | |
| 98 | K | B | 0.0000 | |
| 99 | S | B | -0.2002 | |
| 100 | P | B | 0.0000 | |
| 101 | C | B | 0.0000 | |
| 102 | Q | B | 0.0000 | |
| 103 | R | B | -1.8650 | |
| 104 | E | B | -2.4281 | |
| 105 | T | B | -1.9077 | |
| 106 | P | B | -2.5790 | |
| 107 | E | B | -2.9025 | |
| 108 | G | B | -1.7715 | |
| 109 | A | B | -1.9083 | |
| 110 | E | B | -2.8947 | |
| 111 | A | B | -1.9758 | |
| 112 | K | B | -1.6951 | |
| 113 | P | B | -1.3770 | |
| 114 | W | B | 0.0000 | |
| 115 | Y | B | -0.2698 | |
| 116 | E | B | -0.2592 | |
| 117 | P | B | 0.0000 | |
| 118 | I | B | 0.0000 | |
| 119 | Y | B | 0.1919 | |
| 120 | L | B | 0.0000 | |
| 121 | G | B | 0.0000 | |
| 122 | G | B | 0.0000 | |
| 123 | V | B | 0.0000 | |
| 124 | F | B | 0.0000 | |
| 125 | Q | B | -0.9191 | |
| 126 | L | B | 0.0000 | |
| 127 | E | B | -3.0376 | |
| 128 | K | B | -2.7248 | |
| 129 | G | B | -1.2608 | |
| 130 | D | B | 0.0000 | |
| 131 | R | B | -1.6236 | |
| 132 | L | B | 0.0000 | |
| 133 | S | B | 0.0000 | |
| 134 | A | B | 0.0000 | |
| 135 | E | B | -1.5780 | |
| 136 | I | B | -1.3029 | |
| 137 | N | B | -1.6637 | |
| 138 | R | B | -1.8762 | |
| 139 | P | B | -2.4430 | |
| 140 | D | B | -2.7300 | |
| 141 | Y | B | -1.6720 | |
| 142 | L | B | 0.0000 | |
| 143 | D | B | -0.7146 | |
| 144 | F | B | -0.3496 | |
| 145 | A | B | -0.0127 | |
| 146 | E | B | -0.2106 | |
| 147 | S | B | -0.3432 | |
| 148 | G | B | 0.0000 | |
| 149 | Q | B | 0.0000 | |
| 150 | V | B | 0.0000 | |
| 151 | Y | B | 0.0000 | |
| 152 | F | B | 0.0000 | |
| 153 | G | B | 0.0000 | |
| 154 | I | B | 0.0000 | |
| 155 | I | B | 0.0000 | |
| 156 | A | B | -0.6851 | |
| 157 | L | B | -0.3303 | |
| 6 | R | C | -2.2356 | |
| 7 | T | C | -1.7196 | |
| 8 | P | C | -1.4073 | |
| 9 | S | C | -1.2855 | |
| 10 | D | C | -2.2778 | |
| 11 | K | C | -1.4553 | |
| 12 | P | C | -1.1843 | |
| 13 | V | C | 0.0000 | |
| 14 | A | C | 0.0000 | |
| 15 | H | C | 0.0000 | |
| 16 | V | C | 0.0000 | |
| 17 | V | C | 0.0000 | |
| 18 | A | C | 0.0000 | |
| 19 | N | C | -1.0811 | |
| 20 | P | C | -0.9384 | |
| 21 | Q | C | -1.8011 | |
| 22 | A | C | -1.8500 | |
| 23 | E | C | -2.7987 | |
| 24 | G | C | -2.4349 | |
| 25 | Q | C | -2.6847 | |
| 26 | L | C | 0.0000 | |
| 27 | Q | C | -1.6354 | |
| 28 | W | C | 0.0000 | |
| 29 | L | C | -0.9705 | |
| 30 | N | C | -1.9329 | |
| 31 | D | C | -2.6596 | |
| 32 | R | C | -2.1973 | |
| 33 | A | C | -0.9666 | |
| 34 | N | C | -0.9879 | |
| 35 | A | C | -0.9832 | |
| 36 | L | C | -0.4209 | |
| 37 | L | C | -0.5659 | |
| 38 | A | C | -0.9532 | |
| 39 | N | C | -1.7830 | |
| 40 | G | C | -1.4804 | |
| 41 | V | C | 0.0000 | |
| 42 | E | C | -2.5414 | |
| 43 | L | C | -2.2643 | |
| 44 | R | C | -3.3784 | |
| 45 | D | C | -3.2736 | |
| 46 | N | C | -2.3766 | |
| 47 | Q | C | -2.0516 | |
| 48 | L | C | 0.0000 | |
| 49 | V | C | -1.5456 | |
| 50 | V | C | 0.0000 | |
| 51 | P | C | -1.7643 | |
| 52 | S | C | -1.8062 | |
| 53 | E | C | -2.3028 | |
| 54 | G | C | -1.2860 | |
| 55 | L | C | 0.0000 | |
| 56 | Y | C | 0.0000 | |
| 57 | L | C | 0.0000 | |
| 58 | I | C | 0.0000 | |
| 59 | Y | C | 0.0000 | |
| 60 | S | C | 0.0000 | |
| 61 | Q | C | 0.0000 | |
| 62 | V | C | 0.0000 | |
| 63 | L | C | 0.0000 | |
| 64 | F | C | 0.0000 | |
| 65 | K | C | -0.8113 | |
| 66 | G | C | 0.0000 | |
| 67 | Q | C | -1.8264 | |
| 68 | G | C | -1.6878 | |
| 69 | C | C | 0.0000 | |
| 70 | P | C | -0.9673 | |
| 71 | S | C | -0.9409 | |
| 72 | T | C | -0.4597 | |
| 73 | H | C | -0.5881 | |
| 74 | V | C | 0.0000 | |
| 75 | L | C | 0.1922 | |
| 76 | L | C | 0.0000 | |
| 77 | T | C | -0.3612 | |
| 78 | H | C | 0.0000 | |
| 79 | T | C | 0.0000 | |
| 80 | I | C | 0.0000 | |
| 81 | S | C | 0.0000 | |
| 82 | R | C | -0.9941 | |
| 83 | I | C | 0.0000 | |
| 84 | A | C | 0.0000 | |
| 85 | V | C | 0.5554 | |
| 86 | S | C | 0.4434 | |
| 87 | Y | C | 0.8652 | |
| 88 | Q | C | -0.5509 | |
| 89 | T | C | -0.7471 | |
| 90 | K | C | -1.7299 | |
| 91 | V | C | -0.8006 | |
| 92 | N | C | -1.4919 | |
| 93 | L | C | 0.0000 | |
| 94 | L | C | 0.0000 | |
| 95 | S | C | -0.4994 | |
| 96 | A | C | 0.0000 | |
| 97 | I | C | 0.2590 | |
| 98 | K | C | 0.0000 | |
| 99 | S | C | -0.0633 | |
| 100 | P | C | -0.2908 | |
| 101 | C | C | 0.0000 | |
| 102 | Q | C | 0.0000 | |
| 103 | R | C | -1.8301 | |
| 104 | E | C | -1.8400 | |
| 105 | T | C | -1.6026 | |
| 106 | P | C | -2.2252 | |
| 107 | E | C | -2.5834 | |
| 108 | G | C | -1.9230 | |
| 109 | A | C | -1.6044 | |
| 110 | E | C | -2.6850 | |
| 111 | A | C | -1.9721 | |
| 112 | K | C | -1.8459 | |
| 113 | P | C | -1.1991 | |
| 114 | W | C | 0.0000 | |
| 115 | Y | C | -0.2187 | |
| 116 | E | C | -0.2549 | |
| 117 | P | C | 0.0000 | |
| 118 | I | C | 0.0000 | |
| 119 | Y | C | 0.1938 | |
| 120 | L | C | 0.0000 | |
| 121 | G | C | 0.0000 | |
| 122 | G | C | 0.0000 | |
| 123 | V | C | 0.0000 | |
| 124 | F | C | 0.0000 | |
| 125 | Q | C | -0.9573 | |
| 126 | L | C | 0.0000 | |
| 127 | E | C | -2.2656 | |
| 128 | K | C | -2.4560 | |
| 129 | G | C | -1.0227 | |
| 130 | D | C | 0.0000 | |
| 131 | R | C | -1.8188 | |
| 132 | L | C | 0.0000 | |
| 133 | S | C | -1.2718 | |
| 134 | A | C | 0.0000 | |
| 135 | E | C | -1.7553 | |
| 136 | I | C | -1.4566 | |
| 137 | N | C | -2.0394 | |
| 138 | R | C | -1.9404 | |
| 139 | P | C | -2.2537 | |
| 140 | D | C | -2.6851 | |
| 141 | Y | C | -1.1981 | |
| 142 | L | C | -0.7179 | |
| 143 | D | C | 0.0000 | |
| 144 | F | C | 0.4119 | |
| 145 | A | C | 0.3503 | |
| 146 | E | C | -0.0687 | |
| 147 | S | C | -0.0529 | |
| 148 | G | C | 0.0000 | |
| 149 | Q | C | 0.0000 | |
| 150 | V | C | 0.0000 | |
| 151 | Y | C | 0.0000 | |
| 152 | F | C | 0.0000 | |
| 153 | G | C | 0.0000 | |
| 154 | I | C | 0.0000 | |
| 155 | I | C | 0.0000 | |
| 156 | A | C | -0.4207 | |
| 157 | L | C | 0.1444 |
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