| Chain sequence(s) |
A: TCPPCPAPELLGGPDVFLFPPKPKDTLMASRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPLPEEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNAYTQKSLSLSPG
B: TCPPCPAPELLGGPDVFLFPPKPKDTLMASRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPLPEEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNAYTQKSLSLSPG 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 | 0.1565 | |
| 2 | C | A | 0.4502 | |
| 3 | P | A | 0.0269 | |
| 4 | P | A | -0.0249 | |
| 5 | C | A | 0.0878 | |
| 6 | P | A | -0.3162 | |
| 7 | A | A | -0.2261 | |
| 8 | P | A | -0.7559 | |
| 9 | E | A | -1.3092 | |
| 10 | L | A | 0.4580 | |
| 11 | L | A | 1.3601 | |
| 12 | G | A | -0.0888 | |
| 13 | G | A | -0.6151 | |
| 14 | P | A | 0.0000 | |
| 15 | D | A | -1.1837 | |
| 16 | V | A | 0.0000 | |
| 17 | F | A | 1.5190 | |
| 18 | L | A | 1.3369 | |
| 19 | F | A | 1.5807 | |
| 20 | P | A | -0.0422 | |
| 21 | P | A | 0.0000 | |
| 22 | K | A | -1.9552 | |
| 23 | P | A | -1.2117 | |
| 24 | K | A | -1.0113 | |
| 25 | D | A | -1.3333 | |
| 26 | T | A | 0.0000 | |
| 27 | L | A | -0.5914 | |
| 28 | M | A | -0.2488 | |
| 29 | A | A | -0.2266 | |
| 30 | S | A | -0.5537 | |
| 31 | R | A | -1.1521 | |
| 32 | T | A | -0.7795 | |
| 33 | P | A | 0.0000 | |
| 34 | E | A | -1.0146 | |
| 35 | V | A | 0.0000 | |
| 36 | T | A | 0.4250 | |
| 37 | C | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | V | A | -0.9596 | |
| 41 | D | A | -1.7741 | |
| 42 | V | A | 0.0000 | |
| 43 | S | A | -2.0437 | |
| 44 | H | A | -2.2363 | |
| 45 | E | A | -2.7958 | |
| 46 | D | A | -2.4519 | |
| 47 | P | A | -2.5487 | |
| 48 | E | A | -3.0469 | |
| 49 | V | A | -2.0094 | |
| 50 | K | A | -2.2172 | |
| 51 | F | A | -1.2014 | |
| 52 | N | A | -1.0271 | |
| 53 | W | A | 0.0000 | |
| 54 | Y | A | -0.4538 | |
| 55 | V | A | -0.7513 | |
| 56 | D | A | -2.0465 | |
| 57 | G | A | -0.7914 | |
| 58 | V | A | 0.7264 | |
| 59 | E | A | -0.4134 | |
| 60 | V | A | -0.3484 | |
| 61 | H | A | -1.7918 | |
| 62 | N | A | -2.1034 | |
| 63 | A | A | -1.8793 | |
| 64 | K | A | -2.5202 | |
| 65 | T | A | -2.2016 | |
| 66 | K | A | -2.8631 | |
| 67 | P | A | -2.5980 | |
| 68 | R | A | -3.5205 | |
| 69 | E | A | -3.4424 | |
| 70 | E | A | -3.2869 | |
| 71 | Q | A | -1.8539 | |
| 72 | Y | A | -0.1165 | |
| 73 | N | A | -1.2716 | |
| 74 | S | A | -1.2515 | |
| 75 | T | A | -1.9079 | |
| 76 | Y | A | -2.4298 | |
| 77 | R | A | -2.3868 | |
| 78 | V | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | V | A | -0.8910 | |
| 82 | L | A | 0.0000 | |
| 83 | T | A | -0.5839 | |
| 84 | V | A | 0.0000 | |
| 85 | L | A | 0.6950 | |
| 86 | H | A | -0.4051 | |
| 87 | Q | A | -1.2492 | |
| 88 | D | A | -1.2044 | |
| 89 | W | A | 0.0000 | |
| 90 | L | A | -0.8477 | |
| 91 | N | A | -1.9652 | |
| 92 | G | A | -2.0023 | |
| 93 | K | A | -1.9895 | |
| 94 | E | A | -1.9499 | |
| 95 | Y | A | 0.0000 | |
| 96 | K | A | -1.4471 | |
| 97 | C | A | 0.0000 | |
| 98 | K | A | -1.5322 | |
| 99 | V | A | 0.0000 | |
| 100 | S | A | -1.2318 | |
| 101 | N | A | 0.0000 | |
| 102 | K | A | -2.3221 | |
| 103 | A | A | -1.0837 | |
| 104 | L | A | -0.3871 | |
| 105 | P | A | 0.2506 | |
| 106 | L | A | 0.9453 | |
| 107 | P | A | -0.3643 | |
| 108 | E | A | -1.0587 | |
| 109 | E | A | -1.6340 | |
| 110 | K | A | -1.0092 | |
| 111 | T | A | -0.7584 | |
| 112 | I | A | -0.1312 | |
| 113 | S | A | -1.0305 | |
| 114 | K | A | -1.2014 | |
| 115 | A | A | -1.1512 | |
| 116 | K | A | -2.3548 | |
| 117 | G | A | -1.9758 | |
| 118 | Q | A | -2.1291 | |
| 119 | P | A | -1.7970 | |
| 120 | R | A | -2.0633 | |
| 121 | E | A | -2.6167 | |
| 122 | P | A | 0.0000 | |
| 123 | Q | A | -1.1873 | |
| 124 | V | A | 0.0000 | |
| 125 | Y | A | 0.0000 | |
| 126 | T | A | -0.7234 | |
| 127 | L | A | 0.0000 | |
| 128 | P | A | -0.2907 | |
| 129 | P | A | -0.6991 | |
| 130 | S | A | -1.3593 | |
| 131 | R | A | -2.4242 | |
| 132 | D | A | -2.3912 | |
| 133 | E | A | 0.0000 | |
| 134 | L | A | -1.4507 | |
| 135 | T | A | -1.3529 | |
| 136 | K | A | -2.0391 | |
| 137 | N | A | -2.4473 | |
| 138 | Q | A | -2.3169 | |
| 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 | -0.9213 | |
| 148 | F | A | 0.0000 | |
| 149 | Y | A | -0.9783 | |
| 150 | P | A | 0.0000 | |
| 151 | S | A | -0.0640 | |
| 152 | D | A | -0.9109 | |
| 153 | I | A | -0.4337 | |
| 154 | A | A | -0.4239 | |
| 155 | V | A | 0.0000 | |
| 156 | E | A | -1.0540 | |
| 157 | W | A | 0.0000 | |
| 158 | E | A | -1.7731 | |
| 159 | S | A | 0.0000 | |
| 160 | N | A | -1.8712 | |
| 161 | G | A | -1.7719 | |
| 162 | Q | A | -2.3032 | |
| 163 | P | A | -1.9823 | |
| 164 | E | A | -1.9010 | |
| 165 | N | A | -2.1577 | |
| 166 | N | A | -1.6056 | |
| 167 | Y | A | -1.0088 | |
| 168 | K | A | -0.7711 | |
| 169 | T | A | -0.2381 | |
| 170 | T | A | 0.0000 | |
| 171 | P | A | -0.0567 | |
| 172 | P | A | 0.2225 | |
| 173 | V | A | 0.6876 | |
| 174 | L | A | 1.1065 | |
| 175 | D | A | -0.3085 | |
| 176 | S | A | -1.0650 | |
| 177 | D | A | -1.8269 | |
| 178 | G | A | -0.7783 | |
| 179 | S | A | 0.0000 | |
| 180 | F | A | 0.3429 | |
| 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 | -0.9706 | |
| 188 | V | A | 0.0000 | |
| 189 | D | A | -2.5705 | |
| 190 | K | A | -2.4175 | |
| 191 | S | A | -2.0972 | |
| 192 | R | A | -1.9090 | |
| 193 | W | A | 0.0000 | |
| 194 | Q | A | -2.1468 | |
| 195 | Q | A | -1.9975 | |
| 196 | G | A | -1.0425 | |
| 197 | N | A | -0.7416 | |
| 198 | V | A | 0.2845 | |
| 199 | F | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 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 | -1.0038 | |
| 207 | A | A | -1.5508 | |
| 208 | L | A | 0.0000 | |
| 209 | H | A | -1.7318 | |
| 210 | N | A | -1.5341 | |
| 211 | A | A | -0.8807 | |
| 212 | Y | A | -0.1456 | |
| 213 | T | A | -0.5242 | |
| 214 | Q | A | -0.8565 | |
| 215 | K | A | -0.9871 | |
| 216 | S | A | -0.4762 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | 0.0824 | |
| 219 | L | A | 0.1268 | |
| 220 | S | A | -0.2228 | |
| 221 | P | A | -0.3987 | |
| 222 | G | A | -0.5113 | |
| 1 | T | B | 0.1712 | |
| 2 | C | B | 0.4736 | |
| 3 | P | B | 0.0560 | |
| 4 | P | B | -0.0464 | |
| 5 | C | B | 0.1652 | |
| 6 | P | B | -0.4910 | |
| 7 | A | B | -0.7312 | |
| 8 | P | B | -1.1005 | |
| 9 | E | B | -1.4135 | |
| 10 | L | B | 0.1431 | |
| 11 | L | B | 1.2081 | |
| 12 | G | B | 0.2128 | |
| 13 | G | B | -0.4735 | |
| 14 | P | B | 0.0000 | |
| 15 | D | B | -1.2213 | |
| 16 | V | B | 0.0000 | |
| 17 | F | B | 1.5023 | |
| 18 | L | B | 1.3444 | |
| 19 | F | B | 1.5745 | |
| 20 | P | B | -0.0642 | |
| 21 | P | B | 0.0000 | |
| 22 | K | B | -2.0781 | |
| 23 | P | B | -1.2568 | |
| 24 | K | B | -1.0792 | |
| 25 | D | B | -1.3820 | |
| 26 | T | B | 0.0000 | |
| 27 | L | B | -0.6421 | |
| 28 | M | B | -0.3088 | |
| 29 | A | B | -0.2578 | |
| 30 | S | B | -0.5750 | |
| 31 | R | B | -1.3629 | |
| 32 | T | B | -0.8060 | |
| 33 | P | B | 0.0000 | |
| 34 | E | B | -1.0362 | |
| 35 | V | B | 0.0000 | |
| 36 | T | B | 0.4221 | |
| 37 | C | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | V | B | 0.0000 | |
| 40 | V | B | -0.7728 | |
| 41 | D | B | -1.1755 | |
| 42 | V | B | 0.0000 | |
| 43 | S | B | -1.9288 | |
| 44 | H | B | -2.1728 | |
| 45 | E | B | -2.7884 | |
| 46 | D | B | -2.4421 | |
| 47 | P | B | -2.4858 | |
| 48 | E | B | -3.0402 | |
| 49 | V | B | -2.0063 | |
| 50 | K | B | -2.2174 | |
| 51 | F | B | -1.1581 | |
| 52 | N | B | -1.0224 | |
| 53 | W | B | 0.0000 | |
| 54 | Y | B | -0.4466 | |
| 55 | V | B | -0.7389 | |
| 56 | D | B | -2.0305 | |
| 57 | G | B | -0.7846 | |
| 58 | V | B | 0.7300 | |
| 59 | E | B | -0.4074 | |
| 60 | V | B | -0.3437 | |
| 61 | H | B | -1.7887 | |
| 62 | N | B | -2.1027 | |
| 63 | A | B | -1.8774 | |
| 64 | K | B | -2.5152 | |
| 65 | T | B | -2.1909 | |
| 66 | K | B | -2.8429 | |
| 67 | P | B | -2.5884 | |
| 68 | R | B | -3.5065 | |
| 69 | E | B | -3.4318 | |
| 70 | E | B | -3.2278 | |
| 71 | Q | B | -1.7813 | |
| 72 | Y | B | -0.1152 | |
| 73 | N | B | -1.2186 | |
| 74 | S | B | -1.1934 | |
| 75 | T | B | 0.0000 | |
| 76 | Y | B | -2.2817 | |
| 77 | R | B | -2.2830 | |
| 78 | V | B | 0.0000 | |
| 79 | V | B | 0.0000 | |
| 80 | S | B | 0.0000 | |
| 81 | V | B | -0.8870 | |
| 82 | L | B | 0.0000 | |
| 83 | T | B | -0.5889 | |
| 84 | V | B | 0.0000 | |
| 85 | L | B | 0.6949 | |
| 86 | H | B | -0.4166 | |
| 87 | Q | B | -1.2481 | |
| 88 | D | B | -1.1963 | |
| 89 | W | B | 0.0000 | |
| 90 | L | B | -0.8490 | |
| 91 | N | B | -1.9576 | |
| 92 | G | B | -1.9903 | |
| 93 | K | B | -1.9644 | |
| 94 | E | B | -1.9064 | |
| 95 | Y | B | 0.0000 | |
| 96 | K | B | -1.4329 | |
| 97 | C | B | 0.0000 | |
| 98 | K | B | -1.5307 | |
| 99 | V | B | 0.0000 | |
| 100 | S | B | -1.2436 | |
| 101 | N | B | 0.0000 | |
| 102 | K | B | -2.3201 | |
| 103 | A | B | -0.8625 | |
| 104 | L | B | -0.2006 | |
| 105 | P | B | 0.0847 | |
| 106 | L | B | 0.9507 | |
| 107 | P | B | -0.3804 | |
| 108 | E | B | -1.1134 | |
| 109 | E | B | -1.6350 | |
| 110 | K | B | -1.0057 | |
| 111 | T | B | -0.7485 | |
| 112 | I | B | -0.1200 | |
| 113 | S | B | -1.0172 | |
| 114 | K | B | -1.1973 | |
| 115 | A | B | -1.1547 | |
| 116 | K | B | -2.3537 | |
| 117 | G | B | -1.9766 | |
| 118 | Q | B | -2.1309 | |
| 119 | P | B | -1.7983 | |
| 120 | R | B | -2.0645 | |
| 121 | E | B | -2.6170 | |
| 122 | P | B | 0.0000 | |
| 123 | Q | B | -1.1940 | |
| 124 | V | B | 0.0000 | |
| 125 | Y | B | 0.0000 | |
| 126 | T | B | -0.7277 | |
| 127 | L | B | 0.0000 | |
| 128 | P | B | -0.2900 | |
| 129 | P | B | -0.6965 | |
| 130 | S | B | -1.3527 | |
| 131 | R | B | -2.4140 | |
| 132 | D | B | -2.3689 | |
| 133 | E | B | 0.0000 | |
| 134 | L | B | -1.4462 | |
| 135 | T | B | -1.3491 | |
| 136 | K | B | -2.0419 | |
| 137 | N | B | -2.4496 | |
| 138 | Q | B | -2.3173 | |
| 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 | -0.4420 | |
| 147 | G | B | -0.9233 | |
| 148 | F | B | 0.0000 | |
| 149 | Y | B | -0.9848 | |
| 150 | P | B | 0.0000 | |
| 151 | S | B | -0.0838 | |
| 152 | D | B | -0.9545 | |
| 153 | I | B | -0.4548 | |
| 154 | A | B | -0.4429 | |
| 155 | V | B | 0.0000 | |
| 156 | E | B | -1.0614 | |
| 157 | W | B | 0.0000 | |
| 158 | E | B | -1.7724 | |
| 159 | S | B | 0.0000 | |
| 160 | N | B | -1.8704 | |
| 161 | G | B | -1.7712 | |
| 162 | Q | B | -2.3028 | |
| 163 | P | B | -1.9835 | |
| 164 | E | B | -1.9019 | |
| 165 | N | B | -2.1570 | |
| 166 | N | B | -1.6014 | |
| 167 | Y | B | -1.0077 | |
| 168 | K | B | -0.7656 | |
| 169 | T | B | -0.2364 | |
| 170 | T | B | 0.0000 | |
| 171 | P | B | -0.0558 | |
| 172 | P | B | 0.2176 | |
| 173 | V | B | 0.6863 | |
| 174 | L | B | 1.1058 | |
| 175 | D | B | -0.3087 | |
| 176 | S | B | -1.0656 | |
| 177 | D | B | -1.8270 | |
| 178 | G | B | -0.7793 | |
| 179 | S | B | 0.0000 | |
| 180 | F | B | 0.3405 | |
| 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 | -0.9668 | |
| 188 | V | B | 0.0000 | |
| 189 | D | B | -2.5658 | |
| 190 | K | B | -2.4160 | |
| 191 | S | B | -2.0927 | |
| 192 | R | B | -1.9033 | |
| 193 | W | B | 0.0000 | |
| 194 | Q | B | -2.1441 | |
| 195 | Q | B | -1.9964 | |
| 196 | G | B | -1.0412 | |
| 197 | N | B | -0.7442 | |
| 198 | V | B | 0.2839 | |
| 199 | F | B | 0.0000 | |
| 200 | S | B | 0.0000 | |
| 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 | -1.0178 | |
| 207 | A | B | -1.5497 | |
| 208 | L | B | 0.0000 | |
| 209 | H | B | -1.7372 | |
| 210 | N | B | -1.5465 | |
| 211 | A | B | -0.9026 | |
| 212 | Y | B | -0.1733 | |
| 213 | T | B | -0.5342 | |
| 214 | Q | B | -0.8590 | |
| 215 | K | B | -0.9881 | |
| 216 | S | B | -0.4757 | |
| 217 | L | B | 0.0000 | |
| 218 | S | B | 0.0845 | |
| 219 | L | B | 0.1327 | |
| 220 | S | B | -0.2190 | |
| 221 | P | B | -0.3964 | |
| 222 | G | B | -0.5107 |
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