| Chain sequence(s) |
A: AWKGEVLANNEAGQVTSIIYNPGDVITIVAAGWASYGPTQKWGPQGDREHPDQGLICHDAFCGALVMKIGNSGTIPVNTGLFRWVAPNNVQGAITLIYNDVPGTYGNNSGSFSSVNIGKDQQSS
C: AWKGEVLANNEAGQVVTSIIYNPGDVITIVAAGWASYGPTQKWGPQGDREHPDQGLICHDAFCGALVMKIGNSGTIPVNTGLFRWVVAPNNVQGAITLIYNDVPGTYGNNSGSFSSVNIGKDQSS B: AWKGEVLANNEAGQVTSIIYNPGDVITIVAAGWASYGPTTQKWGPQGDREHPDQGLICHDAFCGALVMKIGNNSGTIPVNTGLFRWVAPNNVQGAITTLIYNDVPGTYGNNSGSFSSVNIGKDQS D: AWKGEVLANNEAGQVTSIIYNPGDVITIVAAGWASYGPTQKWGPQGDREHPDQGLICHDAFCGALVMKIGNSGTIPVNTGLFRWVAPNNVQGAITLIYNDVPGTYGNNSGSFSVNIGKDQS input PDB |
| Selected Chain(s) | A,B,C,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 (00:03:40)
[INFO] Main: Simulation completed successfully. (00:03:46)
|
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 | A | A | -0.3119 | |
| 2 | W | A | -0.8183 | |
| 3 | K | A | -2.0523 | |
| 4 | G | A | -1.4457 | |
| 5 | E | A | -1.7605 | |
| 6 | V | A | 0.0000 | |
| 7 | L | A | -0.5018 | |
| 8 | A | A | 0.0000 | |
| 9 | N | A | -1.7994 | |
| 10 | N | A | -1.6151 | |
| 11 | E | A | -2.1099 | |
| 12 | A | A | -0.8676 | |
| 13 | G | A | -0.5154 | |
| 14 | Q | A | -0.0102 | |
| 15 | V | A | 1.4452 | |
| 16 | T | A | 0.0000 | |
| 17 | S | A | 0.2719 | |
| 18 | I | A | 0.0000 | |
| 19 | I | A | 0.8510 | |
| 20 | Y | A | 0.0000 | |
| 21 | N | A | -0.2545 | |
| 22 | P | A | -0.7927 | |
| 23 | G | A | -0.4335 | |
| 24 | D | A | 0.0000 | |
| 25 | V | A | 0.2473 | |
| 26 | I | A | 0.0000 | |
| 27 | T | A | 0.0000 | |
| 28 | I | A | 0.0000 | |
| 29 | V | A | 0.0000 | |
| 30 | A | A | 0.0000 | |
| 31 | A | A | -0.2956 | |
| 32 | G | A | -0.2688 | |
| 33 | W | A | -0.2703 | |
| 34 | A | A | 0.0000 | |
| 35 | S | A | 0.0000 | |
| 36 | Y | A | -0.6594 | |
| 37 | G | A | -1.0009 | |
| 38 | P | A | -0.8094 | |
| 39 | T | A | -0.8184 | |
| 40 | Q | A | -1.7439 | |
| 41 | K | A | -1.2990 | |
| 42 | W | A | -0.5341 | |
| 43 | G | A | -0.1941 | |
| 44 | P | A | 0.0000 | |
| 45 | Q | A | 0.0000 | |
| 46 | G | A | 0.0000 | |
| 47 | D | A | 0.0000 | |
| 48 | R | A | -1.8875 | |
| 49 | E | A | -2.7013 | |
| 50 | H | A | -1.8405 | |
| 51 | P | A | -1.8275 | |
| 52 | D | A | -2.5060 | |
| 53 | Q | A | -2.0995 | |
| 54 | G | A | -1.2873 | |
| 55 | L | A | 0.0000 | |
| 56 | I | A | -0.4895 | |
| 57 | C | A | 0.0000 | |
| 58 | H | A | -1.9973 | |
| 59 | D | A | -2.1088 | |
| 60 | A | A | -0.9665 | |
| 61 | F | A | -0.5917 | |
| 62 | C | A | 0.0000 | |
| 63 | G | A | 0.0000 | |
| 64 | A | A | 0.0000 | |
| 65 | L | A | 0.0000 | |
| 66 | V | A | 0.0000 | |
| 67 | M | A | 0.0000 | |
| 68 | K | A | -0.9664 | |
| 69 | I | A | 0.0000 | |
| 70 | G | A | -1.2866 | |
| 71 | N | A | -1.7957 | |
| 72 | S | A | -1.4170 | |
| 73 | G | A | -0.8237 | |
| 74 | T | A | -0.8065 | |
| 75 | I | A | -0.4321 | |
| 76 | P | A | -0.5335 | |
| 77 | V | A | 0.0000 | |
| 78 | N | A | -0.1411 | |
| 79 | T | A | 0.0000 | |
| 80 | G | A | -0.1089 | |
| 81 | L | A | 0.2398 | |
| 82 | F | A | 0.1201 | |
| 83 | R | A | -0.4470 | |
| 84 | W | A | 0.5302 | |
| 85 | V | A | 1.1641 | |
| 86 | A | A | -0.0617 | |
| 87 | P | A | -1.0047 | |
| 88 | N | A | -2.0553 | |
| 89 | N | A | -2.2498 | |
| 90 | V | A | -1.7385 | |
| 91 | Q | A | -1.8984 | |
| 92 | G | A | -0.7130 | |
| 93 | A | A | 0.2826 | |
| 94 | I | A | 0.0000 | |
| 95 | T | A | 0.3541 | |
| 96 | L | A | 0.0000 | |
| 97 | I | A | 0.0000 | |
| 98 | Y | A | 0.0000 | |
| 99 | N | A | 0.0000 | |
| 100 | D | A | 0.0000 | |
| 101 | V | A | -0.5326 | |
| 102 | P | A | -0.7412 | |
| 103 | G | A | -0.8740 | |
| 104 | T | A | -1.0237 | |
| 105 | Y | A | 0.0000 | |
| 106 | G | A | -1.7996 | |
| 107 | N | A | -1.7512 | |
| 108 | N | A | 0.0000 | |
| 109 | S | A | -0.7363 | |
| 110 | G | A | -0.2974 | |
| 111 | S | A | -0.3599 | |
| 112 | F | A | 0.0000 | |
| 113 | S | A | -0.9344 | |
| 114 | V | A | 0.0000 | |
| 115 | N | A | -1.0036 | |
| 116 | I | A | 0.0000 | |
| 117 | G | A | 0.0000 | |
| 118 | K | A | -0.2486 | |
| 119 | D | A | 0.0000 | |
| 120 | Q | A | 0.0000 | |
| 121 | S | A | -0.3390 | |
| 1 | A | B | -0.4458 | |
| 2 | W | B | -0.8359 | |
| 3 | K | B | -2.1536 | |
| 4 | G | B | -1.6495 | |
| 5 | E | B | -2.1198 | |
| 6 | V | B | 0.0000 | |
| 7 | L | B | -0.2975 | |
| 8 | A | B | 0.0000 | |
| 9 | N | B | -1.5501 | |
| 10 | N | B | -1.4656 | |
| 11 | E | B | -1.8350 | |
| 12 | A | B | -0.6518 | |
| 13 | G | B | -0.4009 | |
| 14 | Q | B | -0.0100 | |
| 15 | V | B | 1.4490 | |
| 16 | T | B | 0.0000 | |
| 17 | S | B | 0.3166 | |
| 18 | I | B | 0.0000 | |
| 19 | I | B | 0.8966 | |
| 20 | Y | B | 0.0000 | |
| 21 | N | B | -0.2271 | |
| 22 | P | B | -0.7504 | |
| 23 | G | B | -0.3561 | |
| 24 | D | B | 0.0000 | |
| 25 | V | B | 0.5513 | |
| 26 | I | B | 0.0000 | |
| 27 | T | B | 0.0000 | |
| 28 | I | B | 0.0000 | |
| 29 | V | B | 0.0000 | |
| 30 | A | B | 0.0000 | |
| 31 | A | B | -0.3581 | |
| 32 | G | B | -0.3293 | |
| 33 | W | B | -0.2731 | |
| 34 | A | B | 0.0000 | |
| 35 | S | B | 0.0000 | |
| 36 | Y | B | -0.6830 | |
| 37 | G | B | -1.0467 | |
| 38 | P | B | -0.8385 | |
| 39 | T | B | -0.8268 | |
| 40 | Q | B | -1.7618 | |
| 41 | K | B | -1.2732 | |
| 42 | W | B | -0.5123 | |
| 43 | G | B | -0.0832 | |
| 44 | P | B | 0.0000 | |
| 45 | Q | B | 0.0000 | |
| 46 | G | B | 0.0000 | |
| 47 | D | B | -1.1567 | |
| 48 | R | B | -1.9941 | |
| 49 | E | B | -2.8024 | |
| 50 | H | B | -2.0022 | |
| 51 | P | B | -1.9080 | |
| 52 | D | B | -2.5403 | |
| 53 | Q | B | -2.1266 | |
| 54 | G | B | -1.2993 | |
| 55 | L | B | 0.0000 | |
| 56 | I | B | -0.4303 | |
| 57 | C | B | 0.0000 | |
| 58 | H | B | -1.9927 | |
| 59 | D | B | -2.1000 | |
| 60 | A | B | -1.0014 | |
| 61 | F | B | -0.6883 | |
| 62 | C | B | 0.0000 | |
| 63 | G | B | 0.0000 | |
| 64 | A | B | 0.0000 | |
| 65 | L | B | 0.0000 | |
| 66 | V | B | 0.0000 | |
| 67 | M | B | 0.0000 | |
| 68 | K | B | -0.9562 | |
| 69 | I | B | 0.0000 | |
| 70 | G | B | -1.2267 | |
| 71 | N | B | -1.9530 | |
| 72 | S | B | -1.4163 | |
| 73 | G | B | -0.8104 | |
| 74 | T | B | -0.7787 | |
| 75 | I | B | -0.4382 | |
| 76 | P | B | -0.4994 | |
| 77 | V | B | 0.0000 | |
| 78 | N | B | -0.1991 | |
| 79 | T | B | 0.0000 | |
| 80 | G | B | -0.0468 | |
| 81 | L | B | 0.4399 | |
| 82 | F | B | 0.5111 | |
| 83 | R | B | 0.3324 | |
| 84 | W | B | 1.0073 | |
| 85 | V | B | 1.5482 | |
| 86 | A | B | 0.0715 | |
| 87 | P | B | -0.9868 | |
| 88 | N | B | -2.0281 | |
| 89 | N | B | -2.3446 | |
| 90 | V | B | -1.7153 | |
| 91 | Q | B | -1.9299 | |
| 92 | G | B | -0.7554 | |
| 93 | A | B | 0.2648 | |
| 94 | I | B | 0.0000 | |
| 95 | T | B | 0.4996 | |
| 96 | L | B | 0.0000 | |
| 97 | I | B | 0.0000 | |
| 98 | Y | B | 0.0000 | |
| 99 | N | B | 0.0000 | |
| 100 | D | B | 0.0000 | |
| 101 | V | B | -0.5582 | |
| 102 | P | B | -0.6683 | |
| 103 | G | B | -0.8423 | |
| 104 | T | B | -0.9838 | |
| 105 | Y | B | 0.0000 | |
| 106 | G | B | -1.7186 | |
| 107 | N | B | -1.7387 | |
| 108 | N | B | 0.0000 | |
| 109 | S | B | -0.7998 | |
| 110 | G | B | -0.2601 | |
| 111 | S | B | -0.4046 | |
| 112 | F | B | 0.0000 | |
| 113 | S | B | -1.1183 | |
| 114 | V | B | 0.0000 | |
| 115 | N | B | -1.1237 | |
| 116 | I | B | 0.0000 | |
| 117 | G | B | 0.0000 | |
| 118 | K | B | -0.1687 | |
| 119 | D | B | 0.0000 | |
| 120 | Q | B | -0.3622 | |
| 121 | S | B | -0.1194 | |
| 1 | A | C | -0.4744 | |
| 2 | W | C | -0.8522 | |
| 3 | K | C | -2.1880 | |
| 4 | G | C | -1.7454 | |
| 5 | E | C | -2.2717 | |
| 6 | V | C | 0.0000 | |
| 7 | L | C | -0.6922 | |
| 8 | A | C | 0.0000 | |
| 9 | N | C | -1.6524 | |
| 10 | N | C | -1.5767 | |
| 11 | E | C | -1.9247 | |
| 12 | A | C | -0.7694 | |
| 13 | G | C | -0.4455 | |
| 14 | Q | C | -0.0803 | |
| 15 | V | C | 1.4659 | |
| 16 | T | C | 0.0000 | |
| 17 | S | C | 0.2959 | |
| 18 | I | C | 0.0000 | |
| 19 | I | C | 0.9862 | |
| 20 | Y | C | 0.0000 | |
| 21 | N | C | -0.3473 | |
| 22 | P | C | -0.8319 | |
| 23 | G | C | -0.4083 | |
| 24 | D | C | 0.0000 | |
| 25 | V | C | 0.4109 | |
| 26 | I | C | 0.0000 | |
| 27 | T | C | 0.0000 | |
| 28 | I | C | 0.0000 | |
| 29 | V | C | 0.0000 | |
| 30 | A | C | 0.0000 | |
| 31 | A | C | -0.3897 | |
| 32 | G | C | -0.3505 | |
| 33 | W | C | -0.2377 | |
| 34 | A | C | 0.0000 | |
| 35 | S | C | 0.0000 | |
| 36 | Y | C | -0.7195 | |
| 37 | G | C | -1.1309 | |
| 38 | P | C | -0.9466 | |
| 39 | T | C | -0.8890 | |
| 40 | Q | C | -1.7535 | |
| 41 | K | C | -1.2511 | |
| 42 | W | C | -0.4813 | |
| 43 | G | C | -0.1397 | |
| 44 | P | C | 0.0000 | |
| 45 | Q | C | 0.0000 | |
| 46 | G | C | 0.0000 | |
| 47 | D | C | 0.0000 | |
| 48 | R | C | -2.0747 | |
| 49 | E | C | -2.7240 | |
| 50 | H | C | -1.8606 | |
| 51 | P | C | -1.8415 | |
| 52 | D | C | -2.6228 | |
| 53 | Q | C | -2.1004 | |
| 54 | G | C | -1.3049 | |
| 55 | L | C | 0.0000 | |
| 56 | I | C | -0.4641 | |
| 57 | C | C | 0.0000 | |
| 58 | H | C | -2.0285 | |
| 59 | D | C | -2.1433 | |
| 60 | A | C | -1.0386 | |
| 61 | F | C | -0.7120 | |
| 62 | C | C | 0.0000 | |
| 63 | G | C | 0.0000 | |
| 64 | A | C | 0.0000 | |
| 65 | L | C | 0.0000 | |
| 66 | V | C | 0.0000 | |
| 67 | M | C | 0.0000 | |
| 68 | K | C | -0.7861 | |
| 69 | I | C | 0.0000 | |
| 70 | G | C | -0.8369 | |
| 71 | N | C | -1.7222 | |
| 72 | S | C | -1.3342 | |
| 73 | G | C | -0.7746 | |
| 74 | T | C | -0.7481 | |
| 75 | I | C | -0.3838 | |
| 76 | P | C | -0.5369 | |
| 77 | V | C | 0.0000 | |
| 78 | N | C | -0.1539 | |
| 79 | T | C | 0.0000 | |
| 80 | G | C | -0.0760 | |
| 81 | L | C | 0.3556 | |
| 82 | F | C | 0.2934 | |
| 83 | R | C | -0.0763 | |
| 84 | W | C | 0.8241 | |
| 85 | V | C | 1.4641 | |
| 86 | A | C | 0.0000 | |
| 87 | P | C | -1.0103 | |
| 88 | N | C | -2.0518 | |
| 89 | N | C | -2.2342 | |
| 90 | V | C | -1.7102 | |
| 91 | Q | C | -1.8087 | |
| 92 | G | C | -0.4789 | |
| 93 | A | C | 0.4050 | |
| 94 | I | C | 0.0000 | |
| 95 | T | C | 0.0000 | |
| 96 | L | C | 0.0000 | |
| 97 | I | C | 0.0000 | |
| 98 | Y | C | 0.0000 | |
| 99 | N | C | 0.0000 | |
| 100 | D | C | 0.0000 | |
| 101 | V | C | -0.5322 | |
| 102 | P | C | -0.7140 | |
| 103 | G | C | -0.9794 | |
| 104 | T | C | -0.9928 | |
| 105 | Y | C | 0.0000 | |
| 106 | G | C | -1.7727 | |
| 107 | N | C | -1.8078 | |
| 108 | N | C | 0.0000 | |
| 109 | S | C | -0.7545 | |
| 110 | G | C | -0.3605 | |
| 111 | S | C | -0.5498 | |
| 112 | F | C | 0.0000 | |
| 113 | S | C | -1.2572 | |
| 114 | V | C | 0.0000 | |
| 115 | N | C | -1.2119 | |
| 116 | I | C | 0.0000 | |
| 117 | G | C | 0.0000 | |
| 118 | K | C | -0.3583 | |
| 119 | D | C | 0.0000 | |
| 120 | Q | C | -0.4620 | |
| 121 | S | C | -0.3551 | |
| 1 | A | D | -0.4451 | |
| 2 | W | D | -0.8408 | |
| 3 | K | D | -2.1410 | |
| 4 | G | D | -1.5744 | |
| 5 | E | D | -2.0298 | |
| 6 | V | D | 0.0000 | |
| 7 | L | D | 0.0878 | |
| 8 | A | D | 0.0000 | |
| 9 | N | D | -1.4847 | |
| 10 | N | D | -1.3809 | |
| 11 | E | D | -1.9336 | |
| 12 | A | D | -0.7203 | |
| 13 | G | D | -0.4375 | |
| 14 | Q | D | -0.0121 | |
| 15 | V | D | 1.3693 | |
| 16 | T | D | 0.0000 | |
| 17 | S | D | 0.2868 | |
| 18 | I | D | 0.0000 | |
| 19 | I | D | 0.7025 | |
| 20 | Y | D | 0.0000 | |
| 21 | N | D | 0.0000 | |
| 22 | P | D | -0.7072 | |
| 23 | G | D | -0.3651 | |
| 24 | D | D | 0.0000 | |
| 25 | V | D | 0.5672 | |
| 26 | I | D | 0.0000 | |
| 27 | T | D | 0.0000 | |
| 28 | I | D | 0.0000 | |
| 29 | V | D | 0.0000 | |
| 30 | A | D | 0.0000 | |
| 31 | A | D | -0.3462 | |
| 32 | G | D | -0.3225 | |
| 33 | W | D | -0.2869 | |
| 34 | A | D | 0.0000 | |
| 35 | S | D | 0.0000 | |
| 36 | Y | D | -0.6707 | |
| 37 | G | D | -0.9970 | |
| 38 | P | D | -0.8221 | |
| 39 | T | D | -0.8382 | |
| 40 | Q | D | -1.7924 | |
| 41 | K | D | -1.3530 | |
| 42 | W | D | -0.5184 | |
| 43 | G | D | -0.1838 | |
| 44 | P | D | 0.0000 | |
| 45 | Q | D | 0.0000 | |
| 46 | G | D | 0.0000 | |
| 47 | D | D | 0.0000 | |
| 48 | R | D | -1.6310 | |
| 49 | E | D | -2.5775 | |
| 50 | H | D | -1.8021 | |
| 51 | P | D | -1.8401 | |
| 52 | D | D | -2.6380 | |
| 53 | Q | D | -2.1646 | |
| 54 | G | D | -1.3518 | |
| 55 | L | D | 0.0000 | |
| 56 | I | D | -0.5100 | |
| 57 | C | D | 0.0000 | |
| 58 | H | D | -2.0621 | |
| 59 | D | D | -2.1594 | |
| 60 | A | D | -1.0117 | |
| 61 | F | D | -0.6363 | |
| 62 | C | D | 0.0000 | |
| 63 | G | D | 0.0000 | |
| 64 | A | D | 0.0000 | |
| 65 | L | D | 0.0000 | |
| 66 | V | D | 0.0000 | |
| 67 | M | D | 0.0000 | |
| 68 | K | D | -0.9759 | |
| 69 | I | D | 0.0000 | |
| 70 | G | D | -0.9988 | |
| 71 | N | D | -1.7760 | |
| 72 | S | D | -1.4131 | |
| 73 | G | D | -0.8591 | |
| 74 | T | D | -0.8291 | |
| 75 | I | D | -0.5406 | |
| 76 | P | D | -0.5480 | |
| 77 | V | D | 0.0000 | |
| 78 | N | D | -0.2104 | |
| 79 | T | D | 0.0000 | |
| 80 | G | D | -0.0774 | |
| 81 | L | D | 0.3812 | |
| 82 | F | D | 0.2077 | |
| 83 | R | D | 0.2424 | |
| 84 | W | D | 1.0362 | |
| 85 | V | D | 1.5861 | |
| 86 | A | D | 0.1797 | |
| 87 | P | D | -0.7857 | |
| 88 | N | D | -1.9105 | |
| 89 | N | D | -2.1766 | |
| 90 | V | D | -1.6112 | |
| 91 | Q | D | -1.5639 | |
| 92 | G | D | -0.6284 | |
| 93 | A | D | 0.2772 | |
| 94 | I | D | 0.0000 | |
| 95 | T | D | 0.4319 | |
| 96 | L | D | 0.0000 | |
| 97 | I | D | 0.0000 | |
| 98 | Y | D | 0.0000 | |
| 99 | N | D | 0.0000 | |
| 100 | D | D | 0.0000 | |
| 101 | V | D | -0.6332 | |
| 102 | P | D | -0.7649 | |
| 103 | G | D | -0.8826 | |
| 104 | T | D | -1.0147 | |
| 105 | Y | D | 0.0000 | |
| 106 | G | D | -1.7478 | |
| 107 | N | D | -1.7286 | |
| 108 | N | D | 0.0000 | |
| 109 | S | D | -0.5922 | |
| 110 | G | D | -0.1821 | |
| 111 | S | D | -0.2164 | |
| 112 | F | D | 0.0000 | |
| 113 | S | D | -1.0326 | |
| 114 | V | D | 0.0000 | |
| 115 | N | D | -1.1332 | |
| 116 | I | D | 0.0000 | |
| 117 | G | D | 0.0000 | |
| 118 | K | D | -0.1862 | |
| 119 | D | D | 0.0000 | |
| 120 | Q | D | -0.3448 | |
| 121 | S | D | -0.1098 |
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