| Chain sequence(s) |
A: TCPPCPAPELLGGPDVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPLPEEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG
B: TCPPCPAPELLGGPDVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPLPEEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| pH calculations | No |
| alphaCutter usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:04)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | T | A | 0.1567 | |
| 2 | C | A | 0.4587 | |
| 3 | P | A | 0.0393 | |
| 4 | P | A | 0.0009 | |
| 5 | C | A | 0.1321 | |
| 6 | P | A | -0.4674 | |
| 7 | A | A | -0.2302 | |
| 8 | P | A | -0.7458 | |
| 9 | E | A | -1.2586 | |
| 10 | L | A | 0.7341 | |
| 11 | L | A | 1.4138 | |
| 12 | G | A | -0.0442 | |
| 13 | G | A | -0.5286 | |
| 14 | P | A | 0.0000 | |
| 15 | D | A | -1.3309 | |
| 16 | V | A | 0.0000 | |
| 17 | F | A | 1.5175 | |
| 18 | L | A | 1.3406 | |
| 19 | F | A | 1.5805 | |
| 20 | P | A | -0.0481 | |
| 21 | P | A | 0.0000 | |
| 22 | K | A | -1.9835 | |
| 23 | P | A | -1.2386 | |
| 24 | K | A | -0.8443 | |
| 25 | D | A | -0.9941 | |
| 26 | T | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | M | A | 0.6916 | |
| 29 | I | A | 1.5743 | |
| 30 | S | A | 0.3951 | |
| 31 | R | A | -0.5028 | |
| 32 | T | A | -0.4078 | |
| 33 | P | A | 0.0000 | |
| 34 | E | A | -1.0102 | |
| 35 | V | A | 0.0000 | |
| 36 | T | A | 0.4251 | |
| 37 | C | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | V | A | -0.8230 | |
| 41 | D | A | -1.7845 | |
| 42 | V | A | 0.0000 | |
| 43 | S | A | -2.0428 | |
| 44 | H | A | -2.2378 | |
| 45 | E | A | -2.7960 | |
| 46 | D | A | -2.4473 | |
| 47 | P | A | -2.5499 | |
| 48 | E | A | -3.0474 | |
| 49 | V | A | -2.0079 | |
| 50 | K | A | -2.2182 | |
| 51 | F | A | -1.2033 | |
| 52 | N | A | -1.0305 | |
| 53 | W | A | 0.0000 | |
| 54 | Y | A | -0.4498 | |
| 55 | V | A | -0.7420 | |
| 56 | D | A | -2.0347 | |
| 57 | G | A | -0.7855 | |
| 58 | V | A | 0.7276 | |
| 59 | E | A | -0.4173 | |
| 60 | V | A | -0.3506 | |
| 61 | H | A | -1.7933 | |
| 62 | N | A | -2.1045 | |
| 63 | A | A | -1.8764 | |
| 64 | K | A | -2.5139 | |
| 65 | T | A | -2.1869 | |
| 66 | K | A | -2.8267 | |
| 67 | P | A | -2.5676 | |
| 68 | R | A | -3.5230 | |
| 69 | E | A | -3.3867 | |
| 70 | E | A | -3.2613 | |
| 71 | Q | A | -1.8387 | |
| 72 | Y | A | -0.1119 | |
| 73 | N | A | -1.2691 | |
| 74 | S | A | -1.2466 | |
| 75 | T | A | -1.8973 | |
| 76 | Y | A | -2.4196 | |
| 77 | R | A | -2.3703 | |
| 78 | V | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | V | A | -0.8845 | |
| 82 | L | A | 0.0000 | |
| 83 | T | A | -0.5767 | |
| 84 | V | A | 0.0000 | |
| 85 | L | A | 0.9272 | |
| 86 | H | A | -0.0057 | |
| 87 | Q | A | -1.0774 | |
| 88 | D | A | -1.2277 | |
| 89 | W | A | 0.0000 | |
| 90 | L | A | -0.9824 | |
| 91 | N | A | -2.0220 | |
| 92 | G | A | -2.0426 | |
| 93 | K | A | -1.9966 | |
| 94 | E | A | -1.9129 | |
| 95 | Y | A | 0.0000 | |
| 96 | K | A | -1.4419 | |
| 97 | C | A | 0.0000 | |
| 98 | K | A | -1.5362 | |
| 99 | V | A | 0.0000 | |
| 100 | S | A | -1.2320 | |
| 101 | N | A | 0.0000 | |
| 102 | K | A | -2.3205 | |
| 103 | A | A | -1.0546 | |
| 104 | L | A | -0.3564 | |
| 105 | P | A | 0.2750 | |
| 106 | L | A | 0.9743 | |
| 107 | P | A | -0.3682 | |
| 108 | E | A | -1.0717 | |
| 109 | E | A | -1.6401 | |
| 110 | K | A | -1.0131 | |
| 111 | T | A | -0.7527 | |
| 112 | I | A | -0.1227 | |
| 113 | S | A | -1.0369 | |
| 114 | K | A | -1.2253 | |
| 115 | A | A | -1.1662 | |
| 116 | K | A | -2.3548 | |
| 117 | G | A | -1.9762 | |
| 118 | Q | A | -2.1298 | |
| 119 | P | A | -1.7718 | |
| 120 | R | A | -2.0434 | |
| 121 | E | A | -2.6223 | |
| 122 | P | A | 0.0000 | |
| 123 | Q | A | -1.1877 | |
| 124 | V | A | 0.0000 | |
| 125 | Y | A | 0.0000 | |
| 126 | T | A | -0.7270 | |
| 127 | L | A | 0.0000 | |
| 128 | P | A | -0.2938 | |
| 129 | P | A | -0.7000 | |
| 130 | S | A | -1.3586 | |
| 131 | R | A | -2.4236 | |
| 132 | D | A | -2.3913 | |
| 133 | E | A | 0.0000 | |
| 134 | L | A | -1.4312 | |
| 135 | T | A | -1.3532 | |
| 136 | K | A | -2.0417 | |
| 137 | N | A | -2.4465 | |
| 138 | Q | A | -2.3116 | |
| 139 | V | A | 0.0000 | |
| 140 | S | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | T | A | 0.0000 | |
| 143 | C | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | K | A | -0.4411 | |
| 147 | G | A | -0.9225 | |
| 148 | F | A | 0.0000 | |
| 149 | Y | A | -0.9622 | |
| 150 | P | A | 0.0000 | |
| 151 | S | A | -0.0618 | |
| 152 | D | A | -0.9254 | |
| 153 | I | A | -0.4632 | |
| 154 | A | A | -0.4188 | |
| 155 | V | A | 0.0000 | |
| 156 | E | A | -1.0449 | |
| 157 | W | A | 0.0000 | |
| 158 | E | A | -1.7527 | |
| 159 | S | A | 0.0000 | |
| 160 | N | A | -1.8701 | |
| 161 | G | A | -1.7664 | |
| 162 | Q | A | -2.2971 | |
| 163 | P | A | -1.9702 | |
| 164 | E | A | -1.8875 | |
| 165 | N | A | -2.1440 | |
| 166 | N | A | -1.5893 | |
| 167 | Y | A | -1.0009 | |
| 168 | K | A | -0.7627 | |
| 169 | T | A | -0.2340 | |
| 170 | T | A | 0.0000 | |
| 171 | P | A | -0.1152 | |
| 172 | P | A | 0.2250 | |
| 173 | V | A | 0.6889 | |
| 174 | L | A | 1.1069 | |
| 175 | D | A | -0.3053 | |
| 176 | S | A | -1.0618 | |
| 177 | D | A | -1.8262 | |
| 178 | G | A | -0.7789 | |
| 179 | S | A | 0.0000 | |
| 180 | F | A | 0.3442 | |
| 181 | F | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | Y | A | 0.0000 | |
| 184 | S | A | 0.0000 | |
| 185 | K | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | T | A | -0.9639 | |
| 188 | V | A | 0.0000 | |
| 189 | D | A | -2.5514 | |
| 190 | K | A | -2.4059 | |
| 191 | S | A | -2.1373 | |
| 192 | R | A | -1.8846 | |
| 193 | W | A | 0.0000 | |
| 194 | Q | A | -2.1441 | |
| 195 | Q | A | -1.9952 | |
| 196 | G | A | -1.0454 | |
| 197 | N | A | -0.7521 | |
| 198 | V | A | 0.2925 | |
| 199 | F | A | 0.0000 | |
| 200 | S | A | -0.8865 | |
| 201 | C | A | 0.0000 | |
| 202 | S | A | 0.0000 | |
| 203 | V | A | 0.0000 | |
| 204 | M | A | 0.0000 | |
| 205 | H | A | 0.0000 | |
| 206 | E | A | -0.9969 | |
| 207 | A | A | -1.5229 | |
| 208 | L | A | 0.0000 | |
| 209 | H | A | -1.7431 | |
| 210 | N | A | -1.3742 | |
| 211 | H | A | -0.8047 | |
| 212 | Y | A | -0.0623 | |
| 213 | T | A | -0.4852 | |
| 214 | Q | A | -0.8308 | |
| 215 | K | A | -1.0051 | |
| 216 | S | A | -0.4846 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | 0.0785 | |
| 219 | L | A | 0.1185 | |
| 220 | S | A | -0.2270 | |
| 221 | P | A | -0.4002 | |
| 222 | G | A | -0.5123 | |
| 1 | T | B | 0.1720 | |
| 2 | C | B | 0.4757 | |
| 3 | P | B | 0.0610 | |
| 4 | P | B | -0.0400 | |
| 5 | C | B | 0.1791 | |
| 6 | P | B | -0.4889 | |
| 7 | A | B | -0.7386 | |
| 8 | P | B | -1.0934 | |
| 9 | E | B | -1.4029 | |
| 10 | L | B | 0.1560 | |
| 11 | L | B | 1.1927 | |
| 12 | G | B | 0.1424 | |
| 13 | G | B | -0.4969 | |
| 14 | P | B | 0.0000 | |
| 15 | D | B | -1.2357 | |
| 16 | V | B | 0.0000 | |
| 17 | F | B | 1.5121 | |
| 18 | L | B | 1.3519 | |
| 19 | F | B | 1.5889 | |
| 20 | P | B | 0.0035 | |
| 21 | P | B | 0.0000 | |
| 22 | K | B | -2.0000 | |
| 23 | P | B | -1.2649 | |
| 24 | K | B | -0.8585 | |
| 25 | D | B | -0.9979 | |
| 26 | T | B | 0.0000 | |
| 27 | L | B | 0.0000 | |
| 28 | M | B | 0.6908 | |
| 29 | I | B | 1.5765 | |
| 30 | S | B | 0.4018 | |
| 31 | R | B | -0.4881 | |
| 32 | T | B | -0.4040 | |
| 33 | P | B | 0.0000 | |
| 34 | E | B | -1.0154 | |
| 35 | V | B | 0.0000 | |
| 36 | T | B | 0.4295 | |
| 37 | C | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | V | B | 0.0000 | |
| 40 | V | B | -0.7648 | |
| 41 | D | B | -1.1815 | |
| 42 | V | B | 0.0000 | |
| 43 | S | B | -1.9221 | |
| 44 | H | B | -2.1763 | |
| 45 | E | B | -2.7890 | |
| 46 | D | B | -2.4454 | |
| 47 | P | B | -2.4903 | |
| 48 | E | B | -3.0422 | |
| 49 | V | B | -2.0063 | |
| 50 | K | B | -2.2184 | |
| 51 | F | B | -1.1597 | |
| 52 | N | B | -1.0251 | |
| 53 | W | B | 0.0000 | |
| 54 | Y | B | -0.4438 | |
| 55 | V | B | -0.7327 | |
| 56 | D | B | -2.0209 | |
| 57 | G | B | -0.7801 | |
| 58 | V | B | 0.7315 | |
| 59 | E | B | -0.4088 | |
| 60 | V | B | -0.3448 | |
| 61 | H | B | -1.7893 | |
| 62 | N | B | -2.1029 | |
| 63 | A | B | -1.8743 | |
| 64 | K | B | -2.5132 | |
| 65 | T | B | -2.1858 | |
| 66 | K | B | -2.8222 | |
| 67 | P | B | -2.5630 | |
| 68 | R | B | -3.4687 | |
| 69 | E | B | -3.3531 | |
| 70 | E | B | -3.1909 | |
| 71 | Q | B | -1.7593 | |
| 72 | Y | B | -0.1068 | |
| 73 | N | B | -1.2177 | |
| 74 | S | B | -1.1904 | |
| 75 | T | B | 0.0000 | |
| 76 | Y | B | -2.2676 | |
| 77 | R | B | -2.2557 | |
| 78 | V | B | 0.0000 | |
| 79 | V | B | 0.0000 | |
| 80 | S | B | 0.0000 | |
| 81 | V | B | -0.8790 | |
| 82 | L | B | 0.0000 | |
| 83 | T | B | -0.5769 | |
| 84 | V | B | 0.0000 | |
| 85 | L | B | 0.9278 | |
| 86 | H | B | -0.0038 | |
| 87 | Q | B | -1.0761 | |
| 88 | D | B | -1.2219 | |
| 89 | W | B | 0.0000 | |
| 90 | L | B | -0.9833 | |
| 91 | N | B | -2.0165 | |
| 92 | G | B | -2.0340 | |
| 93 | K | B | -1.9769 | |
| 94 | E | B | -1.8758 | |
| 95 | Y | B | 0.0000 | |
| 96 | K | B | -1.4287 | |
| 97 | C | B | 0.0000 | |
| 98 | K | B | -1.5341 | |
| 99 | V | B | 0.0000 | |
| 100 | S | B | -1.2441 | |
| 101 | N | B | 0.0000 | |
| 102 | K | B | -2.3189 | |
| 103 | A | B | -0.8782 | |
| 104 | L | B | -0.2144 | |
| 105 | P | B | 0.0793 | |
| 106 | L | B | 0.9522 | |
| 107 | P | B | -0.3797 | |
| 108 | E | B | -1.1173 | |
| 109 | E | B | -1.6415 | |
| 110 | K | B | -1.0075 | |
| 111 | T | B | -0.7424 | |
| 112 | I | B | -0.1093 | |
| 113 | S | B | -1.0239 | |
| 114 | K | B | -1.2246 | |
| 115 | A | B | -1.1713 | |
| 116 | K | B | -2.3537 | |
| 117 | G | B | -1.9757 | |
| 118 | Q | B | -2.1294 | |
| 119 | P | B | -1.7698 | |
| 120 | R | B | -2.0399 | |
| 121 | E | B | -2.6198 | |
| 122 | P | B | 0.0000 | |
| 123 | Q | B | -1.1938 | |
| 124 | V | B | 0.0000 | |
| 125 | Y | B | 0.0000 | |
| 126 | T | B | -0.7356 | |
| 127 | L | B | 0.0000 | |
| 128 | P | B | -0.2912 | |
| 129 | P | B | -0.6920 | |
| 130 | S | B | -1.3444 | |
| 131 | R | B | -2.4023 | |
| 132 | D | B | -2.3470 | |
| 133 | E | B | 0.0000 | |
| 134 | L | B | -1.4370 | |
| 135 | T | B | -1.3444 | |
| 136 | K | B | -2.0426 | |
| 137 | N | B | -2.4504 | |
| 138 | Q | B | -2.3146 | |
| 139 | V | B | 0.0000 | |
| 140 | S | B | 0.0000 | |
| 141 | L | B | 0.0000 | |
| 142 | T | B | 0.0000 | |
| 143 | C | B | 0.0000 | |
| 144 | L | B | 0.0000 | |
| 145 | V | B | 0.0000 | |
| 146 | K | B | -0.4413 | |
| 147 | G | B | -0.9234 | |
| 148 | F | B | 0.0000 | |
| 149 | Y | B | -0.9680 | |
| 150 | P | B | 0.0000 | |
| 151 | S | B | -0.0884 | |
| 152 | D | B | -0.9368 | |
| 153 | I | B | -0.4813 | |
| 154 | A | B | -0.4270 | |
| 155 | V | B | 0.0000 | |
| 156 | E | B | -1.0513 | |
| 157 | W | B | 0.0000 | |
| 158 | E | B | -1.6988 | |
| 159 | S | B | 0.0000 | |
| 160 | N | B | -1.8555 | |
| 161 | G | B | -1.7490 | |
| 162 | Q | B | -2.2763 | |
| 163 | P | B | -1.9448 | |
| 164 | E | B | -1.8642 | |
| 165 | N | B | -2.1304 | |
| 166 | N | B | -1.5763 | |
| 167 | Y | B | -0.9967 | |
| 168 | K | B | -0.7582 | |
| 169 | T | B | -0.2345 | |
| 170 | T | B | 0.0000 | |
| 171 | P | B | -0.0521 | |
| 172 | P | B | 0.2172 | |
| 173 | V | B | 0.6876 | |
| 174 | L | B | 1.1059 | |
| 175 | D | B | -0.3069 | |
| 176 | S | B | -1.0641 | |
| 177 | D | B | -1.8269 | |
| 178 | G | B | -0.7802 | |
| 179 | S | B | 0.0000 | |
| 180 | F | B | 0.3392 | |
| 181 | F | B | 0.0000 | |
| 182 | L | B | 0.0000 | |
| 183 | Y | B | 0.0000 | |
| 184 | S | B | 0.0000 | |
| 185 | K | B | 0.0000 | |
| 186 | L | B | 0.0000 | |
| 187 | T | B | -0.9585 | |
| 188 | V | B | 0.0000 | |
| 189 | D | B | -2.5474 | |
| 190 | K | B | -2.4050 | |
| 191 | S | B | -2.0805 | |
| 192 | R | B | -1.8771 | |
| 193 | W | B | 0.0000 | |
| 194 | Q | B | -2.1396 | |
| 195 | Q | B | -1.9930 | |
| 196 | G | B | -1.0430 | |
| 197 | N | B | -0.7523 | |
| 198 | V | B | 0.2969 | |
| 199 | F | B | 0.0000 | |
| 200 | S | B | -0.8816 | |
| 201 | C | B | 0.0000 | |
| 202 | S | B | 0.0000 | |
| 203 | V | B | 0.0000 | |
| 204 | M | B | 0.0000 | |
| 205 | H | B | 0.0000 | |
| 206 | E | B | -1.0041 | |
| 207 | A | B | -1.5204 | |
| 208 | L | B | 0.0000 | |
| 209 | H | B | -1.7448 | |
| 210 | N | B | -1.3747 | |
| 211 | H | B | -0.8059 | |
| 212 | Y | B | -0.0839 | |
| 213 | T | B | -0.5138 | |
| 214 | Q | B | -0.8760 | |
| 215 | K | B | -1.0256 | |
| 216 | S | B | -0.4872 | |
| 217 | L | B | 0.0000 | |
| 218 | S | B | 0.0816 | |
| 219 | L | B | 0.1286 | |
| 220 | S | B | -0.2209 | |
| 221 | P | B | -0.3965 | |
| 222 | G | B | -0.5108 |
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