| Chain sequence(s) |
A: AQTGFDLSTATTLFWRPVPVHVKQQDREDVLEELTFRILTGVAKQNHNLRILRIHISSDSDLFFLHTLEVSEEDFQSLKNDQGILVDFASFPGKIISLLEKCILAQPGDSPRFQAVLTIRGGESVFKIVEINDFKQLPHITLAFRPG
C: EENLYFQGSVSSVPTKLEVVAATPTSLLISWDAPAVTVYFYVITYGETGGNSPVQEFEVPGSKSTATISGLKPGVDYTITVYANNKYSRWYGISPISINYRT B: QTGFDLSTATTLFWRPVPVHVKQQDREDVLEELTFRILTGVAKQNHHNLRILRIHISSDSDLFFLHTLEVSEEDFQSLKNDQGILVDFASFPGKIISLLEKCILAQPGDSPRFQAVLTIRGGESVFKIVEINDFKQLPHITLAFRPGN D: QGSVSSVPTKLEVVAATPTSLLISWDAPAVTVYFYVITYGETGGNSPVQEFEVPGSKSTATISGLKPGVDYTITVYANNKYSRWYGISPISINYRT input PDB |
| Selected Chain(s) | A,C,B,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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:10:47)
[INFO] Main: Simulation completed successfully. (00:10:56)
|
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 | |
| 11 | A | A | -0.7277 | |
| 12 | Q | A | -1.2824 | |
| 13 | T | A | 0.0000 | |
| 14 | G | A | -1.1639 | |
| 15 | F | A | 0.0000 | |
| 16 | D | A | -1.5608 | |
| 17 | L | A | -1.1381 | |
| 18 | S | A | -1.0928 | |
| 19 | T | A | -0.2992 | |
| 20 | A | A | -0.1557 | |
| 21 | T | A | 0.0211 | |
| 22 | T | A | -0.0075 | |
| 23 | L | A | 0.2101 | |
| 24 | F | A | 0.0000 | |
| 25 | W | A | -0.1200 | |
| 26 | R | A | -0.6081 | |
| 27 | P | A | -1.3092 | |
| 28 | V | A | 0.0000 | |
| 29 | P | A | -0.8858 | |
| 30 | V | A | 0.0000 | |
| 31 | H | A | -0.9167 | |
| 32 | V | A | 0.0000 | |
| 33 | K | A | -2.8559 | |
| 34 | Q | A | -3.6670 | |
| 35 | Q | A | -3.9508 | |
| 36 | D | A | -4.2782 | |
| 37 | R | A | -4.6386 | |
| 38 | E | A | -4.3179 | |
| 39 | D | A | -3.6291 | |
| 40 | V | A | -1.4637 | |
| 41 | L | A | -0.1395 | |
| 42 | E | A | -2.1440 | |
| 43 | E | A | -2.7002 | |
| 44 | L | A | 0.0000 | |
| 45 | T | A | -1.1492 | |
| 46 | F | A | 0.0000 | |
| 47 | R | A | -0.2496 | |
| 48 | I | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | T | A | -0.4259 | |
| 51 | G | A | 0.0000 | |
| 52 | V | A | -1.9214 | |
| 53 | A | A | 0.0000 | |
| 54 | K | A | -2.4855 | |
| 55 | Q | A | -2.6770 | |
| 56 | N | A | -3.0985 | |
| 57 | H | A | -2.9396 | |
| 58 | N | A | -2.7655 | |
| 59 | L | A | -2.5598 | |
| 60 | R | A | -2.6616 | |
| 61 | I | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | R | A | -0.4066 | |
| 64 | I | A | 0.0000 | |
| 65 | H | A | -0.5436 | |
| 66 | I | A | 0.0000 | |
| 67 | S | A | -0.6841 | |
| 68 | S | A | -1.7548 | |
| 69 | D | A | -2.4280 | |
| 70 | S | A | -1.9306 | |
| 71 | D | A | -1.4797 | |
| 72 | L | A | -0.5310 | |
| 73 | F | A | 0.3410 | |
| 74 | F | A | 0.0772 | |
| 75 | L | A | -0.0669 | |
| 76 | H | A | 0.0000 | |
| 77 | T | A | -0.8660 | |
| 78 | L | A | -0.6590 | |
| 79 | E | A | -1.0085 | |
| 80 | V | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | E | A | -2.8409 | |
| 83 | E | A | -3.0809 | |
| 84 | D | A | -2.4038 | |
| 85 | F | A | 0.0000 | |
| 86 | Q | A | -2.9695 | |
| 87 | S | A | -2.3020 | |
| 88 | L | A | -2.0971 | |
| 89 | K | A | -2.1591 | |
| 90 | N | A | -2.6904 | |
| 91 | D | A | -2.9838 | |
| 92 | Q | A | -1.8647 | |
| 93 | G | A | -1.2588 | |
| 94 | I | A | 0.0000 | |
| 95 | L | A | 0.9040 | |
| 96 | V | A | 0.0689 | |
| 97 | D | A | -1.4511 | |
| 98 | F | A | -1.3394 | |
| 99 | A | A | -0.7294 | |
| 100 | S | A | -0.5274 | |
| 101 | F | A | 0.0000 | |
| 102 | P | A | -0.4916 | |
| 103 | G | A | -0.8100 | |
| 104 | K | A | -0.7568 | |
| 105 | I | A | 0.0000 | |
| 106 | I | A | 0.0000 | |
| 107 | S | A | -0.6354 | |
| 108 | L | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | E | A | 0.0000 | |
| 111 | K | A | -0.3798 | |
| 112 | C | A | 0.0000 | |
| 113 | I | A | 0.4146 | |
| 114 | L | A | 1.0472 | |
| 115 | A | A | -0.3214 | |
| 116 | Q | A | -1.4166 | |
| 117 | P | A | -1.2993 | |
| 118 | G | A | -1.3687 | |
| 119 | D | A | -1.3292 | |
| 120 | S | A | -1.4419 | |
| 121 | P | A | -1.2313 | |
| 122 | R | A | -1.3039 | |
| 123 | F | A | -0.4228 | |
| 124 | Q | A | -0.3568 | |
| 125 | A | A | 0.0000 | |
| 126 | V | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | T | A | -1.2379 | |
| 129 | I | A | -1.7625 | |
| 130 | R | A | -3.0533 | |
| 131 | G | A | -2.1473 | |
| 132 | G | A | -1.9666 | |
| 133 | E | A | -1.9749 | |
| 134 | S | A | 0.0000 | |
| 135 | V | A | -0.3875 | |
| 136 | F | A | 0.0000 | |
| 137 | K | A | -0.4326 | |
| 138 | I | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | E | A | -0.7441 | |
| 141 | I | A | -0.7425 | |
| 142 | N | A | -1.2062 | |
| 143 | D | A | -1.5052 | |
| 144 | F | A | 0.2887 | |
| 145 | K | A | -1.1207 | |
| 146 | Q | A | -1.0988 | |
| 147 | L | A | -0.1590 | |
| 148 | P | A | -0.5704 | |
| 149 | H | A | -0.5982 | |
| 150 | I | A | 0.0000 | |
| 151 | T | A | -0.4433 | |
| 152 | L | A | 0.0000 | |
| 153 | A | A | -0.3756 | |
| 154 | F | A | 0.0000 | |
| 155 | R | A | -2.4336 | |
| 156 | P | A | -1.4876 | |
| 157 | G | A | -0.7961 | |
| 12 | Q | B | -1.6387 | |
| 13 | T | B | -1.6444 | |
| 14 | G | B | -1.1155 | |
| 15 | F | B | 0.0000 | |
| 16 | D | B | 0.0000 | |
| 17 | L | B | 0.9761 | |
| 18 | S | B | 0.2703 | |
| 19 | T | B | 0.1449 | |
| 20 | A | B | 0.4487 | |
| 21 | T | B | 0.2400 | |
| 22 | T | B | 0.2293 | |
| 23 | L | B | 0.7061 | |
| 24 | F | B | 0.0000 | |
| 25 | W | B | 0.2556 | |
| 26 | R | B | -0.9958 | |
| 27 | P | B | -1.0374 | |
| 28 | V | B | 0.0000 | |
| 29 | P | B | -0.1507 | |
| 30 | V | B | 0.0000 | |
| 31 | H | B | -0.3829 | |
| 32 | V | B | 0.0000 | |
| 33 | K | B | -1.6703 | |
| 34 | Q | B | -2.3781 | |
| 35 | Q | B | -2.4793 | |
| 36 | D | B | -2.6537 | |
| 37 | R | B | -3.6063 | |
| 38 | E | B | -3.3348 | |
| 39 | D | B | -2.0709 | |
| 40 | V | B | -1.0077 | |
| 41 | L | B | 0.0000 | |
| 42 | E | B | -0.9248 | |
| 43 | E | B | -1.3548 | |
| 44 | L | B | 0.0000 | |
| 45 | T | B | -1.0238 | |
| 46 | F | B | 0.0000 | |
| 47 | R | B | -0.8336 | |
| 48 | I | B | 0.0000 | |
| 49 | L | B | 0.0000 | |
| 50 | T | B | -0.1202 | |
| 51 | G | B | -0.5321 | |
| 52 | V | B | -1.3608 | |
| 53 | A | B | 0.0000 | |
| 54 | K | B | -2.5190 | |
| 55 | Q | B | -2.6891 | |
| 56 | N | B | -2.6345 | |
| 57 | H | B | -2.6562 | |
| 58 | N | B | -2.5216 | |
| 59 | L | B | -2.2779 | |
| 60 | R | B | -2.1877 | |
| 61 | I | B | 0.0000 | |
| 62 | L | B | 0.0000 | |
| 63 | R | B | -0.5245 | |
| 64 | I | B | 0.0000 | |
| 65 | H | B | -0.8448 | |
| 66 | I | B | 0.0000 | |
| 67 | S | B | -0.1793 | |
| 68 | S | B | -0.6351 | |
| 69 | D | B | -1.7180 | |
| 70 | S | B | -0.9949 | |
| 71 | D | B | -0.0114 | |
| 72 | L | B | 1.6845 | |
| 73 | F | B | 2.3271 | |
| 74 | F | B | 1.0097 | |
| 75 | L | B | 0.4189 | |
| 76 | H | B | 0.0000 | |
| 77 | T | B | 0.0000 | |
| 78 | L | B | 0.0000 | |
| 79 | E | B | -1.1384 | |
| 80 | V | B | 0.0000 | |
| 81 | S | B | -1.9966 | |
| 82 | E | B | -2.8381 | |
| 83 | E | B | -3.2318 | |
| 84 | D | B | -2.9693 | |
| 85 | F | B | 0.0000 | |
| 86 | Q | B | -3.1749 | |
| 87 | S | B | -2.5645 | |
| 88 | L | B | -2.3883 | |
| 89 | K | B | -2.4709 | |
| 90 | N | B | -2.7010 | |
| 91 | D | B | -2.9655 | |
| 92 | Q | B | -1.7504 | |
| 93 | G | B | -1.0259 | |
| 94 | I | B | 0.0000 | |
| 95 | L | B | 0.7081 | |
| 96 | V | B | -0.2067 | |
| 97 | D | B | -1.6904 | |
| 98 | F | B | 0.0000 | |
| 99 | A | B | -0.8510 | |
| 100 | S | B | -0.6900 | |
| 101 | F | B | 0.0000 | |
| 102 | P | B | -0.4238 | |
| 103 | G | B | -0.4586 | |
| 104 | K | B | -0.9218 | |
| 105 | I | B | 0.0000 | |
| 106 | I | B | -0.4006 | |
| 107 | S | B | -0.8814 | |
| 108 | L | B | 0.0000 | |
| 109 | L | B | 0.0000 | |
| 110 | E | B | -1.0648 | |
| 111 | K | B | -0.9086 | |
| 112 | C | B | 0.0000 | |
| 113 | I | B | 0.3569 | |
| 114 | L | B | 0.8460 | |
| 115 | A | B | -0.3617 | |
| 116 | Q | B | -1.2207 | |
| 117 | P | B | -1.0450 | |
| 118 | G | B | -1.3884 | |
| 119 | D | B | -1.5834 | |
| 120 | S | B | -1.3042 | |
| 121 | P | B | -1.1362 | |
| 122 | R | B | -1.2333 | |
| 123 | F | B | -0.3866 | |
| 124 | Q | B | 0.0000 | |
| 125 | A | B | 0.0000 | |
| 126 | V | B | 0.0000 | |
| 127 | L | B | 0.0000 | |
| 128 | T | B | 0.0000 | |
| 129 | I | B | 0.0000 | |
| 130 | R | B | -1.5596 | |
| 131 | G | B | -1.5578 | |
| 132 | G | B | -1.5460 | |
| 133 | E | B | -1.6968 | |
| 134 | S | B | 0.0000 | |
| 135 | V | B | -0.0710 | |
| 136 | F | B | 0.0000 | |
| 137 | K | B | 0.0000 | |
| 138 | I | B | 0.0000 | |
| 139 | V | B | 0.0000 | |
| 140 | E | B | -0.4037 | |
| 141 | I | B | -0.4824 | |
| 142 | N | B | -1.1868 | |
| 143 | D | B | -1.6486 | |
| 144 | F | B | -0.0039 | |
| 145 | K | B | -1.4133 | |
| 146 | Q | B | -0.8436 | |
| 147 | L | B | 0.5189 | |
| 148 | P | B | 0.0829 | |
| 149 | H | B | -0.4415 | |
| 150 | I | B | 0.0000 | |
| 151 | T | B | -0.2391 | |
| 152 | L | B | 0.0000 | |
| 153 | A | B | -0.3473 | |
| 154 | F | B | 0.0000 | |
| 155 | R | B | -1.9628 | |
| 156 | P | B | -1.4019 | |
| 157 | G | B | -0.8607 | |
| 158 | N | B | -1.6040 | |
| -8 | E | C | -2.4041 | |
| -7 | E | C | -2.0191 | |
| -6 | N | C | -1.0280 | |
| -5 | L | C | 0.9676 | |
| -4 | Y | C | 1.4695 | |
| -3 | F | C | 1.0857 | |
| -2 | Q | C | -0.0675 | |
| -1 | G | C | 0.0766 | |
| 0 | S | C | 0.2179 | |
| 1 | V | C | 0.5947 | |
| 2 | S | C | 0.2480 | |
| 3 | S | C | 0.3340 | |
| 4 | V | C | 0.9373 | |
| 5 | P | C | 0.0000 | |
| 6 | T | C | -1.2677 | |
| 7 | K | C | -2.4556 | |
| 8 | L | C | 0.0000 | |
| 9 | E | C | -2.1545 | |
| 10 | V | C | -0.8224 | |
| 11 | V | C | -0.0494 | |
| 12 | A | C | 0.0000 | |
| 13 | A | C | -0.3259 | |
| 14 | T | C | 0.0000 | |
| 15 | P | C | -0.6380 | |
| 16 | T | C | -0.5396 | |
| 17 | S | C | 0.0000 | |
| 18 | L | C | 0.0000 | |
| 19 | L | C | 0.0000 | |
| 20 | I | C | 0.0000 | |
| 21 | S | C | -1.1220 | |
| 22 | W | C | 0.0000 | |
| 23 | D | C | -1.9296 | |
| 24 | A | C | -0.8026 | |
| 25 | P | C | -0.0107 | |
| 26 | A | C | -0.0440 | |
| 27 | V | C | 0.0000 | |
| 28 | T | C | 0.1004 | |
| 29 | V | C | 0.4630 | |
| 30 | Y | C | 1.1034 | |
| 31 | F | C | 0.2840 | |
| 32 | Y | C | 0.0000 | |
| 33 | V | C | 0.0000 | |
| 34 | I | C | 0.0000 | |
| 35 | T | C | -0.7449 | |
| 36 | Y | C | -0.3052 | |
| 37 | G | C | -0.6940 | |
| 38 | E | C | -1.3593 | |
| 39 | T | C | -1.1325 | |
| 40 | G | C | -1.2235 | |
| 41 | G | C | -1.4142 | |
| 42 | N | C | -1.5513 | |
| 43 | S | C | -1.2374 | |
| 44 | P | C | -0.5266 | |
| 45 | V | C | 0.3578 | |
| 46 | Q | C | -1.0146 | |
| 47 | E | C | -1.9680 | |
| 48 | F | C | -1.3498 | |
| 49 | E | C | -1.8165 | |
| 50 | V | C | -0.7238 | |
| 51 | P | C | -0.5102 | |
| 52 | G | C | -0.1464 | |
| 53 | S | C | -0.4815 | |
| 54 | K | C | -1.2020 | |
| 55 | S | C | -0.9294 | |
| 56 | T | C | -0.7342 | |
| 57 | A | C | 0.0000 | |
| 58 | T | C | -0.1748 | |
| 59 | I | C | 0.0000 | |
| 60 | S | C | -0.5265 | |
| 61 | G | C | -1.0586 | |
| 62 | L | C | 0.0000 | |
| 63 | K | C | -0.8896 | |
| 64 | P | C | -0.9201 | |
| 65 | G | C | -1.0694 | |
| 66 | V | C | -1.0210 | |
| 67 | D | C | -1.7992 | |
| 68 | Y | C | 0.0000 | |
| 69 | T | C | -0.7596 | |
| 70 | I | C | 0.0000 | |
| 71 | T | C | -0.0822 | |
| 72 | V | C | 0.0000 | |
| 73 | Y | C | 0.5684 | |
| 74 | A | C | 0.0000 | |
| 75 | N | C | -0.0127 | |
| 76 | N | C | -0.2037 | |
| 77 | K | C | -1.2730 | |
| 78 | Y | C | -0.0616 | |
| 79 | S | C | -0.1619 | |
| 80 | R | C | -1.0951 | |
| 81 | W | C | 0.8964 | |
| 82 | Y | C | 1.4857 | |
| 83 | G | C | 1.1276 | |
| 84 | I | C | 2.0639 | |
| 85 | S | C | 1.2323 | |
| 86 | P | C | 0.6918 | |
| 87 | I | C | 0.4164 | |
| 88 | S | C | -0.5049 | |
| 89 | I | C | -0.6592 | |
| 90 | N | C | -1.7353 | |
| 91 | Y | C | -1.4990 | |
| 92 | R | C | -2.3265 | |
| 93 | T | C | -1.2633 | |
| -2 | Q | D | -1.2734 | |
| -1 | G | D | -0.8811 | |
| 0 | S | D | -0.3844 | |
| 1 | V | D | 0.5516 | |
| 2 | S | D | 0.3338 | |
| 3 | S | D | 0.7655 | |
| 4 | V | D | 1.0438 | |
| 5 | P | D | 0.0000 | |
| 6 | T | D | -1.4486 | |
| 7 | K | D | -2.5798 | |
| 8 | L | D | 0.0000 | |
| 9 | E | D | -1.8625 | |
| 10 | V | D | 0.2393 | |
| 11 | V | D | 1.6084 | |
| 12 | A | D | 0.9405 | |
| 13 | A | D | 0.3429 | |
| 14 | T | D | -0.2319 | |
| 15 | P | D | -1.0953 | |
| 16 | T | D | -0.9569 | |
| 17 | S | D | -0.4967 | |
| 18 | L | D | 0.0000 | |
| 19 | L | D | 0.7906 | |
| 20 | I | D | 0.0000 | |
| 21 | S | D | -0.8574 | |
| 22 | W | D | 0.0000 | |
| 23 | D | D | -2.4754 | |
| 24 | A | D | -1.0525 | |
| 25 | P | D | -0.0382 | |
| 26 | A | D | 0.1360 | |
| 27 | V | D | 0.5711 | |
| 28 | T | D | 0.1138 | |
| 29 | V | D | 0.0000 | |
| 30 | Y | D | 0.0000 | |
| 31 | F | D | 0.0000 | |
| 32 | Y | D | 0.0000 | |
| 33 | V | D | -0.2035 | |
| 34 | I | D | 0.0000 | |
| 35 | T | D | 0.0000 | |
| 36 | Y | D | 0.0000 | |
| 37 | G | D | 0.0000 | |
| 38 | E | D | -1.2782 | |
| 39 | T | D | -0.9787 | |
| 40 | G | D | -1.1674 | |
| 41 | G | D | -1.3557 | |
| 42 | N | D | -1.6207 | |
| 43 | S | D | -1.0191 | |
| 44 | P | D | -0.4429 | |
| 45 | V | D | 0.2731 | |
| 46 | Q | D | -1.2286 | |
| 47 | E | D | -1.7382 | |
| 48 | F | D | -0.6601 | |
| 49 | E | D | -0.4279 | |
| 50 | V | D | 0.0000 | |
| 51 | P | D | -0.5421 | |
| 52 | G | D | 0.0000 | |
| 53 | S | D | -0.7414 | |
| 54 | K | D | -1.3910 | |
| 55 | S | D | -1.1057 | |
| 56 | T | D | -0.5109 | |
| 57 | A | D | 0.0000 | |
| 58 | T | D | 0.0634 | |
| 59 | I | D | 0.0000 | |
| 60 | S | D | -0.6487 | |
| 61 | G | D | -1.0500 | |
| 62 | L | D | 0.0000 | |
| 63 | K | D | -2.2766 | |
| 64 | P | D | -1.6319 | |
| 65 | G | D | -1.2261 | |
| 66 | V | D | -1.0746 | |
| 67 | D | D | -1.4506 | |
| 68 | Y | D | 0.0000 | |
| 69 | T | D | -0.5608 | |
| 70 | I | D | 0.0000 | |
| 71 | T | D | -0.0665 | |
| 72 | V | D | 0.0000 | |
| 73 | Y | D | 0.7723 | |
| 74 | A | D | 0.0000 | |
| 75 | N | D | 0.0581 | |
| 76 | N | D | 0.0000 | |
| 77 | K | D | -0.5570 | |
| 78 | Y | D | 0.5928 | |
| 79 | S | D | 0.0889 | |
| 80 | R | D | -0.8584 | |
| 81 | W | D | 1.0552 | |
| 82 | Y | D | 1.6477 | |
| 83 | G | D | 1.1117 | |
| 84 | I | D | 2.0120 | |
| 85 | S | D | 1.2542 | |
| 86 | P | D | 0.6830 | |
| 87 | I | D | 0.3858 | |
| 88 | S | D | -0.5582 | |
| 89 | I | D | -0.6715 | |
| 90 | N | D | -1.4892 | |
| 91 | Y | D | -1.1119 | |
| 92 | R | D | -2.2108 | |
| 93 | T | D | -1.4100 |
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