| Chain sequence(s) |
A: TCPPCPAPELLAGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPLPEEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG
B: TCPPCPAPELLAGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPLPEEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG 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] (00:00:01)
[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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:02)
[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 | 0.1779 | |
| 2 | C | A | 0.7770 | |
| 3 | P | A | 0.1174 | |
| 4 | P | A | 0.1807 | |
| 5 | C | A | 0.5298 | |
| 6 | P | A | -0.4163 | |
| 7 | A | A | -0.6345 | |
| 8 | P | A | -0.7840 | |
| 9 | E | A | -1.1667 | |
| 10 | L | A | 0.3046 | |
| 11 | L | A | 1.4528 | |
| 12 | A | A | 0.8333 | |
| 13 | G | A | -0.0693 | |
| 14 | P | A | 0.0000 | |
| 15 | S | A | 0.1747 | |
| 16 | V | A | 0.0000 | |
| 17 | F | A | 1.9138 | |
| 18 | L | A | 1.4064 | |
| 19 | F | A | 1.6144 | |
| 20 | P | A | -0.0451 | |
| 21 | P | A | 0.0000 | |
| 22 | K | A | -1.9835 | |
| 23 | P | A | -1.2379 | |
| 24 | K | A | -0.8427 | |
| 25 | D | A | -0.9985 | |
| 26 | T | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | M | A | 0.6862 | |
| 29 | I | A | 1.5734 | |
| 30 | S | A | 0.3929 | |
| 31 | R | A | -0.5074 | |
| 32 | T | A | -0.4111 | |
| 33 | P | A | 0.0000 | |
| 34 | E | A | -1.0199 | |
| 35 | V | A | 0.0000 | |
| 36 | T | A | 0.4410 | |
| 37 | C | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | V | A | -0.0293 | |
| 41 | D | A | -0.7955 | |
| 42 | V | A | 0.0000 | |
| 43 | S | A | -1.9296 | |
| 44 | H | A | -2.1569 | |
| 45 | E | A | -2.7901 | |
| 46 | D | A | -2.4488 | |
| 47 | P | A | -2.5031 | |
| 48 | E | A | -3.0441 | |
| 49 | V | A | -2.0089 | |
| 50 | K | A | -2.2212 | |
| 51 | F | A | -1.2096 | |
| 52 | N | A | -1.0340 | |
| 53 | W | A | 0.0000 | |
| 54 | Y | A | -0.4518 | |
| 55 | V | A | -0.7139 | |
| 56 | D | A | -2.0372 | |
| 57 | G | A | -0.7878 | |
| 58 | V | A | 0.7278 | |
| 59 | E | A | -0.4147 | |
| 60 | V | A | -0.3503 | |
| 61 | H | A | -1.7937 | |
| 62 | N | A | -2.1043 | |
| 63 | A | A | -1.8843 | |
| 64 | K | A | -2.5282 | |
| 65 | T | A | -2.2110 | |
| 66 | K | A | -2.8937 | |
| 67 | P | A | -2.6179 | |
| 68 | R | A | -3.5830 | |
| 69 | E | A | -3.4993 | |
| 70 | E | A | -3.1955 | |
| 71 | Q | A | -1.6041 | |
| 72 | Y | A | 0.3520 | |
| 73 | N | A | -0.5370 | |
| 74 | S | A | -0.7283 | |
| 75 | T | A | 0.0000 | |
| 76 | Y | A | -2.2378 | |
| 77 | R | A | -2.1705 | |
| 78 | V | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | V | A | -0.8952 | |
| 82 | L | A | 0.0000 | |
| 83 | T | A | -0.5834 | |
| 84 | V | A | 0.0000 | |
| 85 | L | A | 0.9230 | |
| 86 | H | A | -0.0127 | |
| 87 | Q | A | -1.0819 | |
| 88 | D | A | -1.2299 | |
| 89 | W | A | 0.0000 | |
| 90 | L | A | -0.9856 | |
| 91 | N | A | -2.0243 | |
| 92 | G | A | -2.0432 | |
| 93 | K | A | -2.0005 | |
| 94 | E | A | -1.9181 | |
| 95 | Y | A | 0.0000 | |
| 96 | K | A | -1.4326 | |
| 97 | C | A | 0.0000 | |
| 98 | K | A | -1.5442 | |
| 99 | V | A | 0.0000 | |
| 100 | S | A | -1.2466 | |
| 101 | N | A | 0.0000 | |
| 102 | K | A | -2.3195 | |
| 103 | A | A | -0.8666 | |
| 104 | L | A | -0.1528 | |
| 105 | P | A | 0.1295 | |
| 106 | L | A | 0.9499 | |
| 107 | P | A | -0.3918 | |
| 108 | E | A | -0.9102 | |
| 109 | E | A | -1.6228 | |
| 110 | K | A | -0.9642 | |
| 111 | T | A | -0.7266 | |
| 112 | I | A | -0.0897 | |
| 113 | S | A | -1.0372 | |
| 114 | K | A | -1.2275 | |
| 115 | A | A | -1.1675 | |
| 116 | K | A | -2.3551 | |
| 117 | G | A | -1.9766 | |
| 118 | Q | A | -2.1317 | |
| 119 | P | A | -1.7739 | |
| 120 | R | A | -2.0471 | |
| 121 | E | A | -2.6231 | |
| 122 | P | A | 0.0000 | |
| 123 | Q | A | -1.1829 | |
| 124 | V | A | 0.0000 | |
| 125 | Y | A | 0.0000 | |
| 126 | T | A | -0.7180 | |
| 127 | L | A | 0.0000 | |
| 128 | P | A | -0.2973 | |
| 129 | P | A | -0.6964 | |
| 130 | S | A | -1.3453 | |
| 131 | R | A | -2.4036 | |
| 132 | D | A | -2.3488 | |
| 133 | E | A | 0.0000 | |
| 134 | L | A | -1.4256 | |
| 135 | T | A | -1.3485 | |
| 136 | K | A | -2.0417 | |
| 137 | N | A | -2.4491 | |
| 138 | Q | A | -2.3136 | |
| 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 | -0.4404 | |
| 147 | G | A | -0.9234 | |
| 148 | F | A | 0.0000 | |
| 149 | Y | A | -0.9683 | |
| 150 | P | A | 0.0000 | |
| 151 | S | A | -0.0672 | |
| 152 | D | A | -0.9338 | |
| 153 | I | A | -0.4665 | |
| 154 | A | A | -0.4257 | |
| 155 | V | A | 0.0000 | |
| 156 | E | A | -1.0506 | |
| 157 | W | A | 0.0000 | |
| 158 | E | A | -1.7682 | |
| 159 | S | A | 0.0000 | |
| 160 | N | A | -1.8717 | |
| 161 | G | A | -1.7708 | |
| 162 | Q | A | -2.3017 | |
| 163 | P | A | -1.9764 | |
| 164 | E | A | -1.8914 | |
| 165 | N | A | -2.1421 | |
| 166 | N | A | -1.5760 | |
| 167 | Y | A | -0.9948 | |
| 168 | K | A | -0.7546 | |
| 169 | T | A | -0.2320 | |
| 170 | T | A | 0.0000 | |
| 171 | P | A | -0.1152 | |
| 172 | P | A | 0.2239 | |
| 173 | V | A | 0.6897 | |
| 174 | L | A | 1.1070 | |
| 175 | D | A | -0.3055 | |
| 176 | S | A | -1.0626 | |
| 177 | D | A | -1.8262 | |
| 178 | G | A | -0.7790 | |
| 179 | S | A | 0.0000 | |
| 180 | F | A | 0.3409 | |
| 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 | -0.9587 | |
| 188 | V | A | 0.0000 | |
| 189 | D | A | -2.5536 | |
| 190 | K | A | -2.4118 | |
| 191 | S | A | -2.1437 | |
| 192 | R | A | -1.9047 | |
| 193 | W | A | 0.0000 | |
| 194 | Q | A | -2.1512 | |
| 195 | Q | A | -2.0037 | |
| 196 | G | A | -1.0563 | |
| 197 | N | A | -0.7541 | |
| 198 | V | A | 0.2784 | |
| 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 | -1.0007 | |
| 207 | A | A | -1.5280 | |
| 208 | L | A | 0.0000 | |
| 209 | H | A | -1.7492 | |
| 210 | N | A | -1.3803 | |
| 211 | H | A | -0.8144 | |
| 212 | Y | A | -0.0830 | |
| 213 | T | A | -0.4869 | |
| 214 | Q | A | -0.8132 | |
| 215 | K | A | -0.9810 | |
| 216 | S | A | -0.4732 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | 0.0688 | |
| 219 | L | A | 0.0990 | |
| 220 | S | A | -0.2363 | |
| 221 | P | A | -0.4053 | |
| 222 | G | A | -0.5136 | |
| 1 | T | B | 0.1781 | |
| 2 | C | B | 0.6216 | |
| 3 | P | B | 0.1165 | |
| 4 | P | B | 0.1361 | |
| 5 | C | B | 0.4834 | |
| 6 | P | B | -0.4381 | |
| 7 | A | B | -0.6631 | |
| 8 | P | B | -0.8127 | |
| 9 | E | B | -1.1692 | |
| 10 | L | B | 0.3142 | |
| 11 | L | B | 1.4492 | |
| 12 | A | B | 0.8507 | |
| 13 | G | B | -0.0557 | |
| 14 | P | B | 0.0000 | |
| 15 | S | B | 0.1756 | |
| 16 | V | B | 0.0000 | |
| 17 | F | B | 1.9141 | |
| 18 | L | B | 1.4045 | |
| 19 | F | B | 1.5997 | |
| 20 | P | B | 0.0019 | |
| 21 | P | B | 0.0000 | |
| 22 | K | B | -1.9980 | |
| 23 | P | B | -1.2567 | |
| 24 | K | B | -0.8534 | |
| 25 | D | B | -1.0014 | |
| 26 | T | B | 0.0000 | |
| 27 | L | B | 0.0000 | |
| 28 | M | B | 0.6906 | |
| 29 | I | B | 1.5763 | |
| 30 | S | B | 0.3989 | |
| 31 | R | B | -0.4955 | |
| 32 | T | B | -0.4086 | |
| 33 | P | B | 0.0000 | |
| 34 | E | B | -1.0281 | |
| 35 | V | B | 0.0000 | |
| 36 | T | B | 0.4373 | |
| 37 | C | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | V | B | 0.0000 | |
| 40 | V | B | -0.3630 | |
| 41 | D | B | -0.8105 | |
| 42 | V | B | 0.0000 | |
| 43 | S | B | -1.9314 | |
| 44 | H | B | -2.1624 | |
| 45 | E | B | -2.7923 | |
| 46 | D | B | -2.4491 | |
| 47 | P | B | -2.5012 | |
| 48 | E | B | -3.0430 | |
| 49 | V | B | -2.0094 | |
| 50 | K | B | -2.2208 | |
| 51 | F | B | -1.2048 | |
| 52 | N | B | -1.0275 | |
| 53 | W | B | 0.0000 | |
| 54 | Y | B | -0.4438 | |
| 55 | V | B | -0.7332 | |
| 56 | D | B | -2.0219 | |
| 57 | G | B | -0.7800 | |
| 58 | V | B | 0.7334 | |
| 59 | E | B | -0.4061 | |
| 60 | V | B | -0.3454 | |
| 61 | H | B | -1.7909 | |
| 62 | N | B | -2.1035 | |
| 63 | A | B | -1.8819 | |
| 64 | K | B | -2.5253 | |
| 65 | T | B | -2.2058 | |
| 66 | K | B | -2.8806 | |
| 67 | P | B | -2.6087 | |
| 68 | R | B | -3.5269 | |
| 69 | E | B | -3.4642 | |
| 70 | E | B | -3.1537 | |
| 71 | Q | B | -1.6200 | |
| 72 | Y | B | 0.2032 | |
| 73 | N | B | -0.6450 | |
| 74 | S | B | -0.8049 | |
| 75 | T | B | 0.0000 | |
| 76 | Y | B | -2.2374 | |
| 77 | R | B | -2.1622 | |
| 78 | V | B | 0.0000 | |
| 79 | V | B | 0.0000 | |
| 80 | S | B | 0.0000 | |
| 81 | V | B | -0.8923 | |
| 82 | L | B | 0.0000 | |
| 83 | T | B | -0.5834 | |
| 84 | V | B | 0.0000 | |
| 85 | L | B | 0.9238 | |
| 86 | H | B | -0.0100 | |
| 87 | Q | B | -1.0795 | |
| 88 | D | B | -1.2217 | |
| 89 | W | B | 0.0000 | |
| 90 | L | B | -0.9838 | |
| 91 | N | B | -2.0165 | |
| 92 | G | B | -2.0315 | |
| 93 | K | B | -1.9761 | |
| 94 | E | B | -1.8797 | |
| 95 | Y | B | 0.0000 | |
| 96 | K | B | -1.4191 | |
| 97 | C | B | 0.0000 | |
| 98 | K | B | -1.5407 | |
| 99 | V | B | 0.0000 | |
| 100 | S | B | -1.2507 | |
| 101 | N | B | 0.0000 | |
| 102 | K | B | -2.3184 | |
| 103 | A | B | -0.8617 | |
| 104 | L | B | -0.1540 | |
| 105 | P | B | 0.1282 | |
| 106 | L | B | 0.9466 | |
| 107 | P | B | -0.3945 | |
| 108 | E | B | -0.9110 | |
| 109 | E | B | -1.6215 | |
| 110 | K | B | -0.9654 | |
| 111 | T | B | -0.7208 | |
| 112 | I | B | -0.1042 | |
| 113 | S | B | -1.0244 | |
| 114 | K | B | -1.2233 | |
| 115 | A | B | -1.1713 | |
| 116 | K | B | -2.3541 | |
| 117 | G | B | -1.9768 | |
| 118 | Q | B | -2.1319 | |
| 119 | P | B | -1.7735 | |
| 120 | R | B | -2.0470 | |
| 121 | E | B | -2.6226 | |
| 122 | P | B | 0.0000 | |
| 123 | Q | B | -1.1861 | |
| 124 | V | B | 0.0000 | |
| 125 | Y | B | 0.0000 | |
| 126 | T | B | -0.7210 | |
| 127 | L | B | 0.0000 | |
| 128 | P | B | -0.2944 | |
| 129 | P | B | -0.6936 | |
| 130 | S | B | -1.3411 | |
| 131 | R | B | -2.3973 | |
| 132 | D | B | -2.3339 | |
| 133 | E | B | 0.0000 | |
| 134 | L | B | -1.4382 | |
| 135 | T | B | -1.3434 | |
| 136 | K | B | -2.0387 | |
| 137 | N | B | -2.4507 | |
| 138 | Q | B | -2.3161 | |
| 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 | -0.4406 | |
| 147 | G | B | -0.9235 | |
| 148 | F | B | 0.0000 | |
| 149 | Y | B | -0.9724 | |
| 150 | P | B | 0.0000 | |
| 151 | S | B | -0.0856 | |
| 152 | D | B | -0.9289 | |
| 153 | I | B | -0.4782 | |
| 154 | A | B | -0.4277 | |
| 155 | V | B | 0.0000 | |
| 156 | E | B | -1.0551 | |
| 157 | W | B | 0.0000 | |
| 158 | E | B | -1.7669 | |
| 159 | S | B | 0.0000 | |
| 160 | N | B | -1.8700 | |
| 161 | G | B | -1.7696 | |
| 162 | Q | B | -2.3015 | |
| 163 | P | B | -1.9782 | |
| 164 | E | B | -1.8948 | |
| 165 | N | B | -2.1454 | |
| 166 | N | B | -1.5807 | |
| 167 | Y | B | -0.9975 | |
| 168 | K | B | -0.7529 | |
| 169 | T | B | -0.2309 | |
| 170 | T | B | 0.0000 | |
| 171 | P | B | -0.0502 | |
| 172 | P | B | 0.2189 | |
| 173 | V | B | 0.6886 | |
| 174 | L | B | 1.1079 | |
| 175 | D | B | -0.3029 | |
| 176 | S | B | -1.0605 | |
| 177 | D | B | -1.8250 | |
| 178 | G | B | -0.7770 | |
| 179 | S | B | 0.0000 | |
| 180 | F | B | 0.3395 | |
| 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 | -0.9607 | |
| 188 | V | B | 0.0000 | |
| 189 | D | B | -2.5604 | |
| 190 | K | B | -2.4167 | |
| 191 | S | B | -2.0929 | |
| 192 | R | B | -1.9007 | |
| 193 | W | B | 0.0000 | |
| 194 | Q | B | -2.1494 | |
| 195 | Q | B | -2.0015 | |
| 196 | G | B | -1.0522 | |
| 197 | N | B | -0.7508 | |
| 198 | V | B | 0.2853 | |
| 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 | -1.0038 | |
| 207 | A | B | -1.5241 | |
| 208 | L | B | 0.0000 | |
| 209 | H | B | -1.7455 | |
| 210 | N | B | -1.3736 | |
| 211 | H | B | -0.8056 | |
| 212 | Y | B | -0.0710 | |
| 213 | T | B | -0.4787 | |
| 214 | Q | B | -0.8068 | |
| 215 | K | B | -0.9785 | |
| 216 | S | B | -0.4698 | |
| 217 | L | B | 0.0000 | |
| 218 | S | B | 0.0756 | |
| 219 | L | B | 0.1101 | |
| 220 | S | B | -0.2304 | |
| 221 | P | B | -0.4015 | |
| 222 | G | B | -0.5121 |
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