| Chain sequence(s) |
A: DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRT
C: DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKR B: EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSS D: EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSS 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] (00:00:00)
[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 (00:04:03)
[INFO] Main: Simulation completed successfully. (00:04:07)
|
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 | |
| 1 | D | A | -2.1620 | |
| 2 | I | A | 0.0000 | |
| 3 | Q | A | -2.4034 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -1.4373 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.8025 | |
| 8 | P | A | -0.5938 | |
| 9 | S | A | -0.7468 | |
| 10 | S | A | -0.6607 | |
| 11 | L | A | -0.5915 | |
| 12 | S | A | -1.4266 | |
| 13 | A | A | 0.0000 | |
| 14 | S | A | -1.7216 | |
| 15 | V | A | -1.3531 | |
| 16 | G | A | -1.7027 | |
| 17 | D | A | -2.0274 | |
| 18 | R | A | -2.4993 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.5202 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.7748 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.8357 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -2.3043 | |
| 27 | Q | A | -3.0289 | |
| 28 | D | A | -2.9541 | |
| 29 | V | A | 0.0000 | |
| 30 | N | A | -1.9632 | |
| 31 | T | A | -0.9941 | |
| 32 | A | A | -0.0629 | |
| 33 | V | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | Q | A | -1.1842 | |
| 39 | K | A | -1.5986 | |
| 40 | P | A | -1.2354 | |
| 41 | G | A | -1.5160 | |
| 42 | K | A | -2.3581 | |
| 43 | A | A | -1.3113 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -1.1098 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | 1.1769 | |
| 50 | S | A | 0.4494 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | 0.7238 | |
| 53 | F | A | 2.2271 | |
| 54 | L | A | 1.5557 | |
| 55 | Y | A | 0.7778 | |
| 56 | S | A | 0.0942 | |
| 57 | G | A | -0.3658 | |
| 58 | V | A | -0.1344 | |
| 59 | P | A | -0.2791 | |
| 60 | S | A | -0.3966 | |
| 61 | R | A | -0.9221 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | 0.0143 | |
| 64 | G | A | -0.0124 | |
| 65 | S | A | -0.7356 | |
| 66 | R | A | -1.8360 | |
| 67 | S | A | -1.2722 | |
| 68 | G | A | -1.8150 | |
| 69 | T | A | -2.2376 | |
| 70 | D | A | -1.8630 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.8251 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.6424 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.4057 | |
| 77 | S | A | -1.4623 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -1.3919 | |
| 80 | P | A | 0.0000 | |
| 81 | E | A | -1.4487 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | T | A | -0.7671 | |
| 86 | Y | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | Q | A | 0.0000 | |
| 90 | Q | A | 0.0000 | |
| 91 | H | A | 0.2460 | |
| 92 | Y | A | 0.6043 | |
| 93 | T | A | 0.1448 | |
| 94 | T | A | -0.5222 | |
| 95 | P | A | -1.1577 | |
| 96 | P | A | 0.0000 | |
| 97 | T | A | -0.9871 | |
| 98 | F | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | Q | A | -1.8679 | |
| 101 | G | A | -1.2033 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -1.0225 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -1.4069 | |
| 106 | I | A | 0.0000 | |
| 107 | K | A | -2.7713 | |
| 108 | R | A | -2.8353 | |
| 109 | T | A | -1.5111 | |
| 1 | E | B | -1.5343 | |
| 2 | V | B | -0.5559 | |
| 3 | Q | B | -0.3934 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.1348 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.6128 | |
| 8 | G | B | -0.6742 | |
| 9 | G | B | 0.0033 | |
| 10 | G | B | 0.5260 | |
| 11 | L | B | 1.4492 | |
| 12 | V | B | 0.1106 | |
| 13 | Q | B | -1.0248 | |
| 14 | P | B | -1.4730 | |
| 15 | G | B | -1.3367 | |
| 16 | G | B | -0.8991 | |
| 17 | S | B | -1.1136 | |
| 18 | L | B | -0.7079 | |
| 19 | R | B | -1.5695 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.4243 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.3983 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.8363 | |
| 26 | G | B | -0.9839 | |
| 27 | F | B | -0.8716 | |
| 28 | N | B | -1.6475 | |
| 29 | I | B | 0.0000 | |
| 30 | K | B | -2.4257 | |
| 31 | D | B | -2.7425 | |
| 32 | T | B | 0.0000 | |
| 33 | Y | B | -0.2138 | |
| 34 | I | B | 0.0000 | |
| 35 | H | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.7085 | |
| 40 | A | B | -1.1058 | |
| 41 | P | B | -0.8146 | |
| 42 | G | B | -1.4603 | |
| 43 | K | B | -2.4311 | |
| 44 | G | B | -1.7172 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -1.3313 | |
| 47 | W | B | 0.0000 | |
| 48 | V | B | 0.0000 | |
| 49 | A | B | 0.0000 | |
| 50 | R | B | -0.3627 | |
| 51 | I | B | 0.0000 | |
| 52 | Y | B | -0.4470 | |
| 53 | P | B | 0.0000 | |
| 54 | T | B | -1.3240 | |
| 55 | N | B | -1.2028 | |
| 56 | G | B | -0.4788 | |
| 57 | Y | B | 0.5371 | |
| 58 | T | B | -0.2344 | |
| 59 | R | B | -1.4897 | |
| 60 | Y | B | -1.5731 | |
| 61 | A | B | -1.9441 | |
| 62 | D | B | -2.6332 | |
| 63 | S | B | -1.7458 | |
| 64 | V | B | 0.0000 | |
| 65 | K | B | -2.7930 | |
| 66 | G | B | -1.7727 | |
| 67 | R | B | -1.6013 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -0.9443 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.0738 | |
| 72 | A | B | -0.5744 | |
| 73 | D | B | -1.2567 | |
| 74 | T | B | -1.6242 | |
| 75 | S | B | -1.4689 | |
| 76 | K | B | -2.0993 | |
| 77 | N | B | -1.5584 | |
| 78 | T | B | -0.9534 | |
| 79 | A | B | 0.0000 | |
| 80 | Y | B | -0.4064 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.0335 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -1.4443 | |
| 85 | S | B | -1.2392 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -2.1596 | |
| 88 | A | B | -1.6914 | |
| 89 | E | B | -2.2171 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.2609 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.8107 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | S | B | 0.0000 | |
| 98 | R | B | -0.0698 | |
| 99 | W | B | 0.0000 | |
| 100 | G | B | -0.5396 | |
| 101 | G | B | -1.3014 | |
| 102 | D | B | -2.0644 | |
| 103 | G | B | -1.0673 | |
| 104 | F | B | -0.1925 | |
| 105 | Y | B | 0.3232 | |
| 106 | A | B | 0.0000 | |
| 107 | M | B | 0.0000 | |
| 108 | D | B | -0.0875 | |
| 109 | Y | B | 0.1036 | |
| 110 | W | B | 0.0185 | |
| 111 | G | B | 0.0000 | |
| 112 | Q | B | -0.7366 | |
| 113 | G | B | -0.1341 | |
| 114 | T | B | 0.3421 | |
| 115 | L | B | 1.4570 | |
| 116 | V | B | 0.0000 | |
| 117 | T | B | 0.5202 | |
| 118 | V | B | 0.0000 | |
| 119 | S | B | -0.7385 | |
| 120 | S | B | -0.4243 | |
| 1 | D | C | -2.1817 | |
| 2 | I | C | -1.6665 | |
| 3 | Q | C | -2.1975 | |
| 4 | M | C | 0.0000 | |
| 5 | T | C | -1.3576 | |
| 6 | Q | C | 0.0000 | |
| 7 | S | C | -0.7180 | |
| 8 | P | C | -0.6852 | |
| 9 | S | C | -0.9705 | |
| 10 | S | C | -1.3082 | |
| 11 | L | C | -1.1285 | |
| 12 | S | C | -1.9859 | |
| 13 | A | C | 0.0000 | |
| 14 | S | C | -1.7881 | |
| 15 | V | C | -1.2183 | |
| 16 | G | C | -1.4939 | |
| 17 | D | C | -1.9848 | |
| 18 | R | C | -2.4066 | |
| 19 | V | C | -1.0941 | |
| 20 | T | C | -0.5231 | |
| 21 | I | C | 0.0000 | |
| 22 | T | C | -0.8252 | |
| 23 | C | C | 0.0000 | |
| 24 | R | C | -2.9752 | |
| 25 | A | C | 0.0000 | |
| 26 | S | C | -2.3092 | |
| 27 | Q | C | -2.9935 | |
| 28 | D | C | -3.0290 | |
| 29 | V | C | 0.0000 | |
| 30 | N | C | -2.0142 | |
| 31 | T | C | -1.0611 | |
| 32 | A | C | -0.0699 | |
| 33 | V | C | 0.0000 | |
| 34 | A | C | 0.0000 | |
| 35 | W | C | 0.0000 | |
| 36 | Y | C | 0.0000 | |
| 37 | Q | C | 0.0000 | |
| 38 | Q | C | 0.0000 | |
| 39 | K | C | -1.6201 | |
| 40 | P | C | -1.1831 | |
| 41 | G | C | -1.4658 | |
| 42 | K | C | -2.1643 | |
| 43 | A | C | -1.2282 | |
| 44 | P | C | 0.0000 | |
| 45 | K | C | -1.0262 | |
| 46 | L | C | 0.0000 | |
| 47 | L | C | 0.0000 | |
| 48 | I | C | 0.0000 | |
| 49 | Y | C | 1.0990 | |
| 50 | S | C | 0.3914 | |
| 51 | A | C | 0.0000 | |
| 52 | S | C | 0.6053 | |
| 53 | F | C | 1.9636 | |
| 54 | L | C | 1.3626 | |
| 55 | Y | C | 0.6393 | |
| 56 | S | C | -0.0320 | |
| 57 | G | C | -0.4642 | |
| 58 | V | C | 0.0000 | |
| 59 | P | C | -0.3351 | |
| 60 | S | C | -0.4168 | |
| 61 | R | C | -0.7734 | |
| 62 | F | C | 0.0000 | |
| 63 | S | C | 0.0280 | |
| 64 | G | C | -0.0079 | |
| 65 | S | C | -0.7448 | |
| 66 | R | C | -1.7838 | |
| 67 | S | C | -1.4683 | |
| 68 | G | C | -1.9847 | |
| 69 | T | C | -2.4682 | |
| 70 | D | C | -2.3132 | |
| 71 | F | C | 0.0000 | |
| 72 | T | C | -0.8652 | |
| 73 | L | C | 0.0000 | |
| 74 | T | C | -0.5509 | |
| 75 | I | C | 0.0000 | |
| 76 | S | C | -1.3001 | |
| 77 | S | C | -1.3130 | |
| 78 | L | C | 0.0000 | |
| 79 | Q | C | -1.0168 | |
| 80 | P | C | 0.0000 | |
| 81 | E | C | -1.2862 | |
| 82 | D | C | 0.0000 | |
| 83 | F | C | 0.0000 | |
| 84 | A | C | 0.0000 | |
| 85 | T | C | 0.0000 | |
| 86 | Y | C | 0.0000 | |
| 87 | Y | C | 0.0000 | |
| 88 | C | C | 0.0000 | |
| 89 | Q | C | 0.0000 | |
| 90 | Q | C | 0.0000 | |
| 91 | H | C | 0.4878 | |
| 92 | Y | C | 0.7678 | |
| 93 | T | C | 0.2441 | |
| 94 | T | C | -0.2863 | |
| 95 | P | C | -0.7332 | |
| 96 | P | C | 0.0000 | |
| 97 | T | C | -0.6959 | |
| 98 | F | C | -0.5861 | |
| 99 | G | C | 0.0000 | |
| 100 | Q | C | -1.9592 | |
| 101 | G | C | 0.0000 | |
| 102 | T | C | 0.0000 | |
| 103 | K | C | -2.4513 | |
| 104 | V | C | 0.0000 | |
| 105 | E | C | -2.8669 | |
| 106 | I | C | -2.3541 | |
| 107 | K | C | -2.9156 | |
| 108 | R | C | -2.8986 | |
| 1 | E | D | -1.8024 | |
| 2 | V | D | -1.0060 | |
| 3 | Q | D | -0.6588 | |
| 4 | L | D | 0.0000 | |
| 5 | V | D | 0.0032 | |
| 6 | E | D | 0.0000 | |
| 7 | S | D | -0.7365 | |
| 8 | G | D | -0.7915 | |
| 9 | G | D | 0.0113 | |
| 10 | G | D | 0.6423 | |
| 11 | L | D | 1.4057 | |
| 12 | V | D | -0.0577 | |
| 13 | Q | D | -1.3726 | |
| 14 | P | D | -1.6320 | |
| 15 | G | D | -1.3943 | |
| 16 | G | D | -1.0456 | |
| 17 | S | D | -1.2291 | |
| 18 | L | D | -0.7385 | |
| 19 | R | D | -1.8374 | |
| 20 | L | D | 0.0000 | |
| 21 | S | D | -0.4610 | |
| 22 | C | D | 0.0000 | |
| 23 | A | D | -0.3680 | |
| 24 | A | D | 0.0000 | |
| 25 | S | D | -1.0195 | |
| 26 | G | D | -1.3686 | |
| 27 | F | D | -1.2613 | |
| 28 | N | D | -2.0877 | |
| 29 | I | D | 0.0000 | |
| 30 | K | D | -2.0259 | |
| 31 | D | D | -2.5326 | |
| 32 | T | D | 0.0000 | |
| 33 | Y | D | -0.3567 | |
| 34 | I | D | 0.0000 | |
| 35 | H | D | 0.0000 | |
| 36 | W | D | 0.0000 | |
| 37 | V | D | 0.0000 | |
| 38 | R | D | 0.0000 | |
| 39 | Q | D | -0.8411 | |
| 40 | A | D | -1.1165 | |
| 41 | P | D | -0.7757 | |
| 42 | G | D | -1.4603 | |
| 43 | K | D | -2.4445 | |
| 44 | G | D | -1.7144 | |
| 45 | L | D | 0.0000 | |
| 46 | E | D | -1.4565 | |
| 47 | W | D | 0.0000 | |
| 48 | V | D | 0.0000 | |
| 49 | A | D | 0.0000 | |
| 50 | R | D | -0.3967 | |
| 51 | I | D | 0.0000 | |
| 52 | Y | D | -0.3212 | |
| 53 | P | D | 0.0000 | |
| 54 | T | D | -1.2545 | |
| 55 | N | D | -1.0418 | |
| 56 | G | D | -0.4986 | |
| 57 | Y | D | 0.5359 | |
| 58 | T | D | -0.1949 | |
| 59 | R | D | -1.3422 | |
| 60 | Y | D | -1.6360 | |
| 61 | A | D | -1.7721 | |
| 62 | D | D | -2.8138 | |
| 63 | S | D | -1.6721 | |
| 64 | V | D | 0.0000 | |
| 65 | K | D | -2.9342 | |
| 66 | G | D | -1.8778 | |
| 67 | R | D | -1.5392 | |
| 68 | F | D | 0.0000 | |
| 69 | T | D | -0.9832 | |
| 70 | I | D | 0.0000 | |
| 71 | S | D | -0.1683 | |
| 72 | A | D | -0.8437 | |
| 73 | D | D | -1.3522 | |
| 74 | T | D | -1.4634 | |
| 75 | S | D | -1.4795 | |
| 76 | K | D | -2.2283 | |
| 77 | N | D | -1.6511 | |
| 78 | T | D | 0.0000 | |
| 79 | A | D | 0.0000 | |
| 80 | Y | D | -0.4831 | |
| 81 | L | D | 0.0000 | |
| 82 | Q | D | -1.1004 | |
| 83 | M | D | 0.0000 | |
| 84 | N | D | -1.5371 | |
| 85 | S | D | -1.3570 | |
| 86 | L | D | 0.0000 | |
| 87 | R | D | -2.4908 | |
| 88 | A | D | -1.7947 | |
| 89 | E | D | -2.3065 | |
| 90 | D | D | 0.0000 | |
| 91 | T | D | -0.3627 | |
| 92 | A | D | 0.0000 | |
| 93 | V | D | 0.7303 | |
| 94 | Y | D | 0.0000 | |
| 95 | Y | D | 0.0000 | |
| 96 | C | D | 0.0000 | |
| 97 | S | D | 0.0000 | |
| 98 | R | D | 0.0019 | |
| 99 | W | D | -0.3602 | |
| 100 | G | D | -0.6407 | |
| 101 | G | D | -1.4732 | |
| 102 | D | D | -2.0919 | |
| 103 | G | D | -1.0890 | |
| 104 | F | D | -0.2602 | |
| 105 | Y | D | 0.2410 | |
| 106 | A | D | 0.0000 | |
| 107 | M | D | 0.0000 | |
| 108 | D | D | -0.0191 | |
| 109 | Y | D | 0.0793 | |
| 110 | W | D | -0.2072 | |
| 111 | G | D | 0.0000 | |
| 112 | Q | D | -0.9306 | |
| 113 | G | D | -0.3762 | |
| 114 | T | D | 0.0000 | |
| 115 | L | D | 1.5093 | |
| 116 | V | D | 0.0000 | |
| 117 | T | D | 0.3357 | |
| 118 | V | D | 0.0000 | |
| 119 | S | D | -0.7057 | |
| 120 | S | D | -0.5136 |
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