| Chain sequence(s) |
A: TCPPCPAPELLAGPSVFLFPPKPKDTLMASRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPLPEEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNAYTQKSLSLSPG
B: TCPPCPAPELLAGPSVFLFPPKPKDTLMASRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPLPEEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNAYTQKSLSLSPG 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 | 0.1783 | |
| 2 | C | A | 0.7562 | |
| 3 | P | A | 0.1164 | |
| 4 | P | A | 0.1725 | |
| 5 | C | A | 0.5287 | |
| 6 | P | A | -0.4131 | |
| 7 | A | A | -0.6485 | |
| 8 | P | A | -0.8148 | |
| 9 | E | A | -1.1991 | |
| 10 | L | A | 0.2400 | |
| 11 | L | A | 1.4228 | |
| 12 | A | A | 0.8707 | |
| 13 | G | A | 0.0376 | |
| 14 | P | A | 0.0000 | |
| 15 | S | A | 0.1932 | |
| 16 | V | A | 0.0000 | |
| 17 | F | A | 1.9024 | |
| 18 | L | A | 1.3977 | |
| 19 | F | A | 1.6075 | |
| 20 | P | A | -0.0423 | |
| 21 | P | A | 0.0000 | |
| 22 | K | A | -2.0458 | |
| 23 | P | A | -1.2014 | |
| 24 | K | A | -0.9909 | |
| 25 | D | A | -1.3093 | |
| 26 | T | A | 0.0000 | |
| 27 | L | A | -0.5332 | |
| 28 | M | A | -0.1496 | |
| 29 | A | A | -0.1866 | |
| 30 | S | A | -0.5251 | |
| 31 | R | A | -1.2934 | |
| 32 | T | A | -0.7677 | |
| 33 | P | A | 0.0000 | |
| 34 | E | A | -1.0202 | |
| 35 | V | A | 0.0000 | |
| 36 | T | A | 0.4381 | |
| 37 | C | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | V | A | -0.1816 | |
| 41 | D | A | -0.7629 | |
| 42 | V | A | 0.0000 | |
| 43 | S | A | -1.9206 | |
| 44 | H | A | -2.1378 | |
| 45 | E | A | -2.7814 | |
| 46 | D | A | -2.4374 | |
| 47 | P | A | -2.4983 | |
| 48 | E | A | -3.0447 | |
| 49 | V | A | -2.0124 | |
| 50 | K | A | -2.2211 | |
| 51 | F | A | -1.2097 | |
| 52 | N | A | -1.0323 | |
| 53 | W | A | 0.0000 | |
| 54 | Y | A | -0.4503 | |
| 55 | V | A | -0.7468 | |
| 56 | D | A | -2.0427 | |
| 57 | G | A | -0.7889 | |
| 58 | V | A | 0.7302 | |
| 59 | E | A | -0.4081 | |
| 60 | V | A | -0.3452 | |
| 61 | H | A | -1.7909 | |
| 62 | N | A | -2.1031 | |
| 63 | A | A | -1.8823 | |
| 64 | K | A | -2.5255 | |
| 65 | T | A | -2.2082 | |
| 66 | K | A | -2.8764 | |
| 67 | P | A | -2.6075 | |
| 68 | R | A | -3.5751 | |
| 69 | E | A | -3.4505 | |
| 70 | E | A | -3.1272 | |
| 71 | Q | A | -1.5820 | |
| 72 | Y | A | 0.3438 | |
| 73 | N | A | -0.5463 | |
| 74 | S | A | -0.7241 | |
| 75 | T | A | 0.0000 | |
| 76 | Y | A | -2.2111 | |
| 77 | R | A | -2.1456 | |
| 78 | V | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | V | A | -0.8967 | |
| 82 | L | A | 0.0000 | |
| 83 | T | A | -0.5868 | |
| 84 | V | A | 0.0000 | |
| 85 | L | A | 0.6951 | |
| 86 | H | A | -0.3931 | |
| 87 | Q | A | -1.2475 | |
| 88 | D | A | -1.1999 | |
| 89 | W | A | 0.0000 | |
| 90 | L | A | -0.8461 | |
| 91 | N | A | -1.9620 | |
| 92 | G | A | -1.9965 | |
| 93 | K | A | -1.9810 | |
| 94 | E | A | -1.9409 | |
| 95 | Y | A | 0.0000 | |
| 96 | K | A | -1.4350 | |
| 97 | C | A | 0.0000 | |
| 98 | K | A | -1.5452 | |
| 99 | V | A | 0.0000 | |
| 100 | S | A | -1.2508 | |
| 101 | N | A | 0.0000 | |
| 102 | K | A | -2.3122 | |
| 103 | A | A | -0.8430 | |
| 104 | L | A | -0.1439 | |
| 105 | P | A | 0.1339 | |
| 106 | L | A | 0.9436 | |
| 107 | P | A | -0.3975 | |
| 108 | E | A | -0.9149 | |
| 109 | E | A | -1.6238 | |
| 110 | K | A | -0.9625 | |
| 111 | T | A | -0.7296 | |
| 112 | I | A | -0.1186 | |
| 113 | S | A | -1.0239 | |
| 114 | K | A | -1.1964 | |
| 115 | A | A | -1.1494 | |
| 116 | K | A | -2.3545 | |
| 117 | G | A | -1.9748 | |
| 118 | Q | A | -2.1285 | |
| 119 | P | A | -1.7955 | |
| 120 | R | A | -2.0603 | |
| 121 | E | A | -2.6150 | |
| 122 | P | A | 0.0000 | |
| 123 | Q | A | -1.1825 | |
| 124 | V | A | 0.0000 | |
| 125 | Y | A | 0.0000 | |
| 126 | T | A | -0.7182 | |
| 127 | L | A | 0.0000 | |
| 128 | P | A | -0.2905 | |
| 129 | P | A | -0.6969 | |
| 130 | S | A | -1.3522 | |
| 131 | R | A | -2.4141 | |
| 132 | D | A | -2.3698 | |
| 133 | E | A | 0.0000 | |
| 134 | L | A | -1.4471 | |
| 135 | T | A | -1.3497 | |
| 136 | K | A | -2.0395 | |
| 137 | N | A | -2.4465 | |
| 138 | Q | A | -2.3182 | |
| 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 | -0.4402 | |
| 147 | G | A | -0.9198 | |
| 148 | F | A | 0.0000 | |
| 149 | Y | A | -0.9796 | |
| 150 | P | A | 0.0000 | |
| 151 | S | A | -0.0626 | |
| 152 | D | A | -0.9105 | |
| 153 | I | A | -0.4336 | |
| 154 | A | A | -0.4078 | |
| 155 | V | A | 0.0000 | |
| 156 | E | A | -1.0479 | |
| 157 | W | A | 0.0000 | |
| 158 | E | A | -1.7675 | |
| 159 | S | A | 0.0000 | |
| 160 | N | A | -1.8676 | |
| 161 | G | A | -1.7703 | |
| 162 | Q | A | -2.3018 | |
| 163 | P | A | -1.9786 | |
| 164 | E | A | -1.8969 | |
| 165 | N | A | -2.1541 | |
| 166 | N | A | -1.6020 | |
| 167 | Y | A | -1.0077 | |
| 168 | K | A | -0.7697 | |
| 169 | T | A | -0.2372 | |
| 170 | T | A | 0.0000 | |
| 171 | P | A | -0.0542 | |
| 172 | P | A | 0.2241 | |
| 173 | V | A | 0.6882 | |
| 174 | L | A | 1.1071 | |
| 175 | D | A | -0.3060 | |
| 176 | S | A | -1.0626 | |
| 177 | D | A | -1.8258 | |
| 178 | G | A | -0.7768 | |
| 179 | S | A | 0.0000 | |
| 180 | F | A | 0.3433 | |
| 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 | -0.9681 | |
| 188 | V | A | 0.0000 | |
| 189 | D | A | -2.5663 | |
| 190 | K | A | -2.4223 | |
| 191 | S | A | -2.1042 | |
| 192 | R | A | -1.9254 | |
| 193 | W | A | 0.0000 | |
| 194 | Q | A | -2.1527 | |
| 195 | Q | A | -2.0052 | |
| 196 | G | A | -1.0500 | |
| 197 | N | A | -0.7360 | |
| 198 | V | A | 0.2921 | |
| 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 | -0.9720 | |
| 207 | A | A | -1.5310 | |
| 208 | L | A | 0.0000 | |
| 209 | H | A | -1.6951 | |
| 210 | N | A | -1.4781 | |
| 211 | A | A | -0.8014 | |
| 212 | Y | A | 0.0007 | |
| 213 | T | A | -0.4588 | |
| 214 | Q | A | -0.8288 | |
| 215 | K | A | -0.9885 | |
| 216 | S | A | -0.4748 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | 0.0819 | |
| 219 | L | A | 0.1206 | |
| 220 | S | A | -0.2265 | |
| 221 | P | A | -0.4008 | |
| 222 | G | A | -0.5118 | |
| 1 | T | B | 0.1785 | |
| 2 | C | B | 0.6212 | |
| 3 | P | B | 0.1155 | |
| 4 | P | B | 0.1263 | |
| 5 | C | B | 0.4754 | |
| 6 | P | B | -0.4404 | |
| 7 | A | B | -0.6874 | |
| 8 | P | B | -0.8512 | |
| 9 | E | B | -1.2009 | |
| 10 | L | B | 0.2536 | |
| 11 | L | B | 1.4214 | |
| 12 | A | B | 0.8869 | |
| 13 | G | B | 0.0468 | |
| 14 | P | B | 0.0000 | |
| 15 | S | B | 0.1896 | |
| 16 | V | B | 0.0000 | |
| 17 | F | B | 1.8967 | |
| 18 | L | B | 1.3988 | |
| 19 | F | B | 1.6082 | |
| 20 | P | B | -0.0526 | |
| 21 | P | B | 0.0000 | |
| 22 | K | B | -2.0540 | |
| 23 | P | B | -1.2157 | |
| 24 | K | B | -1.0009 | |
| 25 | D | B | -1.3142 | |
| 26 | T | B | 0.0000 | |
| 27 | L | B | -0.5422 | |
| 28 | M | B | -0.1567 | |
| 29 | A | B | -0.1881 | |
| 30 | S | B | -0.5220 | |
| 31 | R | B | -1.2852 | |
| 32 | T | B | -0.7653 | |
| 33 | P | B | 0.0000 | |
| 34 | E | B | -1.0213 | |
| 35 | V | B | 0.0000 | |
| 36 | T | B | 0.4414 | |
| 37 | C | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | V | B | 0.0000 | |
| 40 | V | B | -0.3416 | |
| 41 | D | B | -0.7852 | |
| 42 | V | B | 0.0000 | |
| 43 | S | B | -1.9257 | |
| 44 | H | B | -2.1502 | |
| 45 | E | B | -2.7861 | |
| 46 | D | B | -2.4389 | |
| 47 | P | B | -2.4978 | |
| 48 | E | B | -3.0443 | |
| 49 | V | B | -2.0122 | |
| 50 | K | B | -2.2211 | |
| 51 | F | B | -1.2059 | |
| 52 | N | B | -1.0279 | |
| 53 | W | B | 0.0000 | |
| 54 | Y | B | -0.4458 | |
| 55 | V | B | -0.7374 | |
| 56 | D | B | -2.0295 | |
| 57 | G | B | -0.7833 | |
| 58 | V | B | 0.7330 | |
| 59 | E | B | -0.4047 | |
| 60 | V | B | -0.3432 | |
| 61 | H | B | -1.7893 | |
| 62 | N | B | -2.1026 | |
| 63 | A | B | -1.8796 | |
| 64 | K | B | -2.5226 | |
| 65 | T | B | -2.2033 | |
| 66 | K | B | -2.8641 | |
| 67 | P | B | -2.6004 | |
| 68 | R | B | -3.5230 | |
| 69 | E | B | -3.4254 | |
| 70 | E | B | -3.1382 | |
| 71 | Q | B | -1.6177 | |
| 72 | Y | B | 0.1850 | |
| 73 | N | B | -0.6933 | |
| 74 | S | B | -0.8229 | |
| 75 | T | B | 0.0000 | |
| 76 | Y | B | -2.2230 | |
| 77 | R | B | -2.1410 | |
| 78 | V | B | 0.0000 | |
| 79 | V | B | 0.0000 | |
| 80 | S | B | 0.0000 | |
| 81 | V | B | -0.8884 | |
| 82 | L | B | 0.0000 | |
| 83 | T | B | -0.5852 | |
| 84 | V | B | 0.0000 | |
| 85 | L | B | 0.6968 | |
| 86 | H | B | -0.3931 | |
| 87 | Q | B | -1.2469 | |
| 88 | D | B | -1.1942 | |
| 89 | W | B | 0.0000 | |
| 90 | L | B | -0.8449 | |
| 91 | N | B | -1.9559 | |
| 92 | G | B | -1.9877 | |
| 93 | K | B | -1.9617 | |
| 94 | E | B | -1.9019 | |
| 95 | Y | B | 0.0000 | |
| 96 | K | B | -1.4254 | |
| 97 | C | B | 0.0000 | |
| 98 | K | B | -1.5412 | |
| 99 | V | B | 0.0000 | |
| 100 | S | B | -1.2538 | |
| 101 | N | B | 0.0000 | |
| 102 | K | B | -2.3111 | |
| 103 | A | B | -0.8389 | |
| 104 | L | B | -0.1466 | |
| 105 | P | B | 0.1320 | |
| 106 | L | B | 0.9412 | |
| 107 | P | B | -0.3982 | |
| 108 | E | B | -0.9133 | |
| 109 | E | B | -1.6238 | |
| 110 | K | B | -0.9676 | |
| 111 | T | B | -0.7246 | |
| 112 | I | B | -0.1086 | |
| 113 | S | B | -1.0111 | |
| 114 | K | B | -1.1928 | |
| 115 | A | B | -1.1537 | |
| 116 | K | B | -2.3547 | |
| 117 | G | B | -1.9769 | |
| 118 | Q | B | -2.1314 | |
| 119 | P | B | -1.7981 | |
| 120 | R | B | -2.0650 | |
| 121 | E | B | -2.6164 | |
| 122 | P | B | 0.0000 | |
| 123 | Q | B | -1.1897 | |
| 124 | V | B | 0.0000 | |
| 125 | Y | B | 0.0000 | |
| 126 | T | B | -0.7226 | |
| 127 | L | B | 0.0000 | |
| 128 | P | B | -0.2902 | |
| 129 | P | B | -0.6900 | |
| 130 | S | B | -1.3390 | |
| 131 | R | B | -2.3936 | |
| 132 | D | B | -2.3265 | |
| 133 | E | B | 0.0000 | |
| 134 | L | B | -1.4361 | |
| 135 | T | B | -1.3407 | |
| 136 | K | B | -2.0387 | |
| 137 | N | B | -2.4475 | |
| 138 | Q | B | -2.3144 | |
| 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 | -0.4405 | |
| 147 | G | B | -0.9214 | |
| 148 | F | B | 0.0000 | |
| 149 | Y | B | -0.9856 | |
| 150 | P | B | 0.0000 | |
| 151 | S | B | -0.0774 | |
| 152 | D | B | -0.9347 | |
| 153 | I | B | -0.4408 | |
| 154 | A | B | -0.4132 | |
| 155 | V | B | 0.0000 | |
| 156 | E | B | -1.0584 | |
| 157 | W | B | 0.0000 | |
| 158 | E | B | -1.7695 | |
| 159 | S | B | 0.0000 | |
| 160 | N | B | -1.8667 | |
| 161 | G | B | -1.7703 | |
| 162 | Q | B | -2.3020 | |
| 163 | P | B | -1.9803 | |
| 164 | E | B | -1.8970 | |
| 165 | N | B | -2.1512 | |
| 166 | N | B | -1.5921 | |
| 167 | Y | B | -1.0028 | |
| 168 | K | B | -0.7628 | |
| 169 | T | B | -0.2358 | |
| 170 | T | B | 0.0000 | |
| 171 | P | B | -0.0536 | |
| 172 | P | B | 0.2206 | |
| 173 | V | B | 0.6865 | |
| 174 | L | B | 1.1054 | |
| 175 | D | B | -0.3082 | |
| 176 | S | B | -1.0651 | |
| 177 | D | B | -1.8271 | |
| 178 | G | B | -0.7798 | |
| 179 | S | B | 0.0000 | |
| 180 | F | B | 0.3408 | |
| 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 | -0.9618 | |
| 188 | V | B | 0.0000 | |
| 189 | D | B | -2.5599 | |
| 190 | K | B | -2.4199 | |
| 191 | S | B | -2.0984 | |
| 192 | R | B | -1.9165 | |
| 193 | W | B | 0.0000 | |
| 194 | Q | B | -2.1492 | |
| 195 | Q | B | -2.0027 | |
| 196 | G | B | -1.0472 | |
| 197 | N | B | -0.7337 | |
| 198 | V | B | 0.2934 | |
| 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 | -0.9728 | |
| 207 | A | B | -1.5295 | |
| 208 | L | B | 0.0000 | |
| 209 | H | B | -1.6983 | |
| 210 | N | B | -1.4835 | |
| 211 | A | B | -0.8089 | |
| 212 | Y | B | -0.0152 | |
| 213 | T | B | -0.4640 | |
| 214 | Q | B | -0.8288 | |
| 215 | K | B | -0.9861 | |
| 216 | S | B | -0.4731 | |
| 217 | L | B | 0.0000 | |
| 218 | S | B | 0.0847 | |
| 219 | L | B | 0.1265 | |
| 220 | S | B | -0.2234 | |
| 221 | P | B | -0.3985 | |
| 222 | G | B | -0.5111 |
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