| Chain sequence(s) |
A: TCPPCPAPELLGGPDVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLAQDWLNGKEYKCKVSNKALPLPEEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNAYTQKSLSLSPG
B: TCPPCPAPELLGGPDVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLAQDWLNGKEYKCKVSNKALPLPEEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNAYTQKSLSLSPG 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 | 0.1772 | |
| 2 | C | A | 0.5291 | |
| 3 | P | A | 0.0763 | |
| 4 | P | A | 0.0460 | |
| 5 | C | A | 0.2345 | |
| 6 | P | A | -0.4584 | |
| 7 | A | A | -0.4612 | |
| 8 | P | A | -0.6143 | |
| 9 | E | A | -0.8723 | |
| 10 | L | A | 1.1541 | |
| 11 | L | A | 1.2908 | |
| 12 | G | A | 0.0195 | |
| 13 | G | A | -0.7574 | |
| 14 | P | A | 0.0000 | |
| 15 | D | A | -1.3267 | |
| 16 | V | A | 0.0000 | |
| 17 | F | A | 1.5083 | |
| 18 | L | A | 1.3433 | |
| 19 | F | A | 1.5683 | |
| 20 | P | A | -0.0378 | |
| 21 | P | A | 0.0000 | |
| 22 | K | A | -1.9621 | |
| 23 | P | A | -1.1820 | |
| 24 | K | A | -0.7855 | |
| 25 | D | A | -1.0035 | |
| 26 | T | A | 0.0000 | |
| 27 | L | A | -0.0602 | |
| 28 | M | A | 0.7640 | |
| 29 | I | A | 1.4763 | |
| 30 | S | A | 0.3517 | |
| 31 | R | A | -0.4504 | |
| 32 | T | A | -0.4382 | |
| 33 | P | A | 0.0000 | |
| 34 | E | A | -1.0854 | |
| 35 | V | A | 0.0000 | |
| 36 | T | A | 0.4025 | |
| 37 | C | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | V | A | -0.7144 | |
| 41 | D | A | -1.7411 | |
| 42 | V | A | 0.0000 | |
| 43 | S | A | -1.8212 | |
| 44 | H | A | -2.2393 | |
| 45 | E | A | -2.7855 | |
| 46 | D | A | -2.4368 | |
| 47 | P | A | -2.5653 | |
| 48 | E | A | -3.0484 | |
| 49 | V | A | -2.0136 | |
| 50 | K | A | -2.2201 | |
| 51 | F | A | -1.2046 | |
| 52 | N | A | -1.0280 | |
| 53 | W | A | 0.0000 | |
| 54 | Y | A | -0.4442 | |
| 55 | V | A | -0.7387 | |
| 56 | D | A | -2.0147 | |
| 57 | G | A | -0.7859 | |
| 58 | V | A | 0.7321 | |
| 59 | E | A | -0.4055 | |
| 60 | V | A | -0.3415 | |
| 61 | H | A | -1.7911 | |
| 62 | N | A | -2.1030 | |
| 63 | A | A | -1.8872 | |
| 64 | K | A | -2.5122 | |
| 65 | T | A | -2.1882 | |
| 66 | K | A | -2.8229 | |
| 67 | P | A | -2.5732 | |
| 68 | R | A | -3.5376 | |
| 69 | E | A | -3.3696 | |
| 70 | E | A | -3.3060 | |
| 71 | Q | A | -1.8577 | |
| 72 | Y | A | -0.1074 | |
| 73 | N | A | -1.2929 | |
| 74 | S | A | -1.2680 | |
| 75 | T | A | -1.9467 | |
| 76 | Y | A | -2.4561 | |
| 77 | R | A | -2.4001 | |
| 78 | V | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | V | A | -0.9137 | |
| 82 | L | A | 0.0000 | |
| 83 | T | A | -0.6088 | |
| 84 | V | A | 0.0000 | |
| 85 | L | A | 0.6620 | |
| 86 | A | A | 0.0836 | |
| 87 | Q | A | -0.9283 | |
| 88 | D | A | -0.9773 | |
| 89 | W | A | 0.0000 | |
| 90 | L | A | -0.8297 | |
| 91 | N | A | -1.9450 | |
| 92 | G | A | -2.0222 | |
| 93 | K | A | -1.9963 | |
| 94 | E | A | -1.9530 | |
| 95 | Y | A | 0.0000 | |
| 96 | K | A | -1.4378 | |
| 97 | C | A | 0.0000 | |
| 98 | K | A | -1.5301 | |
| 99 | V | A | 0.0000 | |
| 100 | S | A | -1.2365 | |
| 101 | N | A | 0.0000 | |
| 102 | K | A | -2.3279 | |
| 103 | A | A | -1.2753 | |
| 104 | L | A | -0.3762 | |
| 105 | P | A | 0.1274 | |
| 106 | L | A | 0.9585 | |
| 107 | P | A | -0.3733 | |
| 108 | E | A | -1.0828 | |
| 109 | E | A | -1.6214 | |
| 110 | K | A | -1.0012 | |
| 111 | T | A | -0.7540 | |
| 112 | I | A | -0.1271 | |
| 113 | S | A | -1.0322 | |
| 114 | K | A | -1.2027 | |
| 115 | A | A | -1.1506 | |
| 116 | K | A | -2.3566 | |
| 117 | G | A | -1.9803 | |
| 118 | Q | A | -2.1312 | |
| 119 | P | A | -1.7967 | |
| 120 | R | A | -2.0621 | |
| 121 | E | A | -2.6179 | |
| 122 | P | A | 0.0000 | |
| 123 | Q | A | -1.1869 | |
| 124 | V | A | 0.0000 | |
| 125 | Y | A | 0.0000 | |
| 126 | T | A | -0.7204 | |
| 127 | L | A | 0.0000 | |
| 128 | P | A | -0.2908 | |
| 129 | P | A | -0.6954 | |
| 130 | S | A | -1.3491 | |
| 131 | R | A | -2.4103 | |
| 132 | D | A | -2.3613 | |
| 133 | E | A | 0.0000 | |
| 134 | L | A | -1.4248 | |
| 135 | T | A | -1.3435 | |
| 136 | K | A | -2.0286 | |
| 137 | N | A | -2.4403 | |
| 138 | Q | A | -2.3073 | |
| 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 | -0.4427 | |
| 147 | G | A | -0.9222 | |
| 148 | F | A | 0.0000 | |
| 149 | Y | A | -0.9768 | |
| 150 | P | A | 0.0000 | |
| 151 | S | A | -0.0414 | |
| 152 | D | A | -0.8574 | |
| 153 | I | A | -0.4073 | |
| 154 | A | A | -0.3983 | |
| 155 | V | A | 0.0000 | |
| 156 | E | A | -1.0342 | |
| 157 | W | A | 0.0000 | |
| 158 | E | A | -1.7731 | |
| 159 | S | A | 0.0000 | |
| 160 | N | A | -1.8720 | |
| 161 | G | A | -1.7737 | |
| 162 | Q | A | -2.3043 | |
| 163 | P | A | -1.9797 | |
| 164 | E | A | -1.8994 | |
| 165 | N | A | -2.1559 | |
| 166 | N | A | -1.6095 | |
| 167 | Y | A | -1.0063 | |
| 168 | K | A | -0.7638 | |
| 169 | T | A | -0.2321 | |
| 170 | T | A | 0.0000 | |
| 171 | P | A | -0.0539 | |
| 172 | P | A | 0.2314 | |
| 173 | V | A | 0.6880 | |
| 174 | L | A | 1.1058 | |
| 175 | D | A | -0.3082 | |
| 176 | S | A | -1.0656 | |
| 177 | D | A | -1.8251 | |
| 178 | G | A | -0.7764 | |
| 179 | S | A | 0.0000 | |
| 180 | F | A | 0.3471 | |
| 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 | -0.9676 | |
| 188 | V | A | 0.0000 | |
| 189 | D | A | -2.5547 | |
| 190 | K | A | -2.4077 | |
| 191 | S | A | -2.1449 | |
| 192 | R | A | -1.9053 | |
| 193 | W | A | 0.0000 | |
| 194 | Q | A | -2.1481 | |
| 195 | Q | A | -2.0014 | |
| 196 | G | A | -1.0513 | |
| 197 | N | A | -0.7474 | |
| 198 | V | A | 0.2750 | |
| 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 | -0.9826 | |
| 207 | A | A | -1.5401 | |
| 208 | L | A | 0.0000 | |
| 209 | H | A | -1.7126 | |
| 210 | N | A | -1.2927 | |
| 211 | A | A | -0.6227 | |
| 212 | Y | A | -0.0533 | |
| 213 | T | A | -0.4821 | |
| 214 | Q | A | -0.8326 | |
| 215 | K | A | -0.9756 | |
| 216 | S | A | -0.4728 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | 0.0761 | |
| 219 | L | A | 0.1169 | |
| 220 | S | A | -0.2279 | |
| 221 | P | A | -0.4016 | |
| 222 | G | A | -0.5126 | |
| 1 | T | B | 0.2043 | |
| 2 | C | B | 0.5522 | |
| 3 | P | B | 0.0669 | |
| 4 | P | B | 0.0714 | |
| 5 | C | B | 0.3188 | |
| 6 | P | B | -0.4248 | |
| 7 | A | B | -0.3046 | |
| 8 | P | B | -0.5580 | |
| 9 | E | B | -0.8457 | |
| 10 | L | B | 1.1117 | |
| 11 | L | B | 1.2583 | |
| 12 | G | B | 0.1358 | |
| 13 | G | B | -0.6391 | |
| 14 | P | B | 0.0000 | |
| 15 | D | B | -1.2375 | |
| 16 | V | B | 0.0000 | |
| 17 | F | B | 1.5013 | |
| 18 | L | B | 1.3409 | |
| 19 | F | B | 1.5612 | |
| 20 | P | B | -0.0521 | |
| 21 | P | B | 0.0000 | |
| 22 | K | B | -1.9747 | |
| 23 | P | B | -1.1999 | |
| 24 | K | B | -0.7982 | |
| 25 | D | B | -1.0100 | |
| 26 | T | B | 0.0000 | |
| 27 | L | B | -0.0696 | |
| 28 | M | B | 0.7539 | |
| 29 | I | B | 1.4735 | |
| 30 | S | B | 0.3584 | |
| 31 | R | B | -0.4324 | |
| 32 | T | B | -0.4321 | |
| 33 | P | B | 0.0000 | |
| 34 | E | B | -1.0978 | |
| 35 | V | B | 0.0000 | |
| 36 | T | B | 0.3989 | |
| 37 | C | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | V | B | 0.0000 | |
| 40 | V | B | -0.8820 | |
| 41 | D | B | -1.3006 | |
| 42 | V | B | 0.0000 | |
| 43 | S | B | -1.6663 | |
| 44 | H | B | -2.1919 | |
| 45 | E | B | -2.7807 | |
| 46 | D | B | -2.4300 | |
| 47 | P | B | -2.5183 | |
| 48 | E | B | -3.0438 | |
| 49 | V | B | -2.0105 | |
| 50 | K | B | -2.2191 | |
| 51 | F | B | -1.2020 | |
| 52 | N | B | -1.0259 | |
| 53 | W | B | 0.0000 | |
| 54 | Y | B | -0.4385 | |
| 55 | V | B | -0.7293 | |
| 56 | D | B | -2.0018 | |
| 57 | G | B | -0.7801 | |
| 58 | V | B | 0.7344 | |
| 59 | E | B | -0.4036 | |
| 60 | V | B | -0.3388 | |
| 61 | H | B | -1.7891 | |
| 62 | N | B | -2.1027 | |
| 63 | A | B | -1.8861 | |
| 64 | K | B | -2.5087 | |
| 65 | T | B | -2.1802 | |
| 66 | K | B | -2.8074 | |
| 67 | P | B | -2.5686 | |
| 68 | R | B | -3.4953 | |
| 69 | E | B | -3.3653 | |
| 70 | E | B | -3.2228 | |
| 71 | Q | B | -1.7974 | |
| 72 | Y | B | -0.1057 | |
| 73 | N | B | -1.2357 | |
| 74 | S | B | -1.2116 | |
| 75 | T | B | -1.8089 | |
| 76 | Y | B | -2.3447 | |
| 77 | R | B | -2.3126 | |
| 78 | V | B | 0.0000 | |
| 79 | V | B | 0.0000 | |
| 80 | S | B | 0.0000 | |
| 81 | V | B | -0.9114 | |
| 82 | L | B | 0.0000 | |
| 83 | T | B | -0.6119 | |
| 84 | V | B | 0.0000 | |
| 85 | L | B | 0.6634 | |
| 86 | A | B | 0.0825 | |
| 87 | Q | B | -0.9263 | |
| 88 | D | B | -0.9702 | |
| 89 | W | B | 0.0000 | |
| 90 | L | B | -0.8282 | |
| 91 | N | B | -1.9387 | |
| 92 | G | B | -2.0126 | |
| 93 | K | B | -1.9744 | |
| 94 | E | B | -1.9156 | |
| 95 | Y | B | 0.0000 | |
| 96 | K | B | -1.4295 | |
| 97 | C | B | 0.0000 | |
| 98 | K | B | -1.5347 | |
| 99 | V | B | 0.0000 | |
| 100 | S | B | -1.2383 | |
| 101 | N | B | 0.0000 | |
| 102 | K | B | -2.3185 | |
| 103 | A | B | -1.0127 | |
| 104 | L | B | -0.3741 | |
| 105 | P | B | 0.1280 | |
| 106 | L | B | 0.9575 | |
| 107 | P | B | -0.3751 | |
| 108 | E | B | -1.0885 | |
| 109 | E | B | -1.6346 | |
| 110 | K | B | -1.0105 | |
| 111 | T | B | -0.7512 | |
| 112 | I | B | -0.1174 | |
| 113 | S | B | -1.0201 | |
| 114 | K | B | -1.2001 | |
| 115 | A | B | -1.1541 | |
| 116 | K | B | -2.3566 | |
| 117 | G | B | -1.9813 | |
| 118 | Q | B | -2.1329 | |
| 119 | P | B | -1.7990 | |
| 120 | R | B | -2.0672 | |
| 121 | E | B | -2.6203 | |
| 122 | P | B | 0.0000 | |
| 123 | Q | B | -1.1906 | |
| 124 | V | B | 0.0000 | |
| 125 | Y | B | 0.0000 | |
| 126 | T | B | -0.7208 | |
| 127 | L | B | 0.0000 | |
| 128 | P | B | -0.2880 | |
| 129 | P | B | -0.6922 | |
| 130 | S | B | -1.3451 | |
| 131 | R | B | -2.4038 | |
| 132 | D | B | -2.3479 | |
| 133 | E | B | 0.0000 | |
| 134 | L | B | -1.4414 | |
| 135 | T | B | -1.3448 | |
| 136 | K | B | -2.0389 | |
| 137 | N | B | -2.4476 | |
| 138 | Q | B | -2.3148 | |
| 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 | -0.4432 | |
| 147 | G | B | -0.9241 | |
| 148 | F | B | 0.0000 | |
| 149 | Y | B | -0.9866 | |
| 150 | P | B | 0.0000 | |
| 151 | S | B | -0.0595 | |
| 152 | D | B | -0.8901 | |
| 153 | I | B | -0.4178 | |
| 154 | A | B | -0.4014 | |
| 155 | V | B | 0.0000 | |
| 156 | E | B | -1.0418 | |
| 157 | W | B | 0.0000 | |
| 158 | E | B | -1.7730 | |
| 159 | S | B | 0.0000 | |
| 160 | N | B | -1.8725 | |
| 161 | G | B | -1.7734 | |
| 162 | Q | B | -2.3041 | |
| 163 | P | B | -1.9821 | |
| 164 | E | B | -1.9024 | |
| 165 | N | B | -2.1582 | |
| 166 | N | B | -1.6103 | |
| 167 | Y | B | -1.0088 | |
| 168 | K | B | -0.7653 | |
| 169 | T | B | -0.2334 | |
| 170 | T | B | 0.0000 | |
| 171 | P | B | -0.0531 | |
| 172 | P | B | 0.2270 | |
| 173 | V | B | 0.6881 | |
| 174 | L | B | 1.1055 | |
| 175 | D | B | -0.3071 | |
| 176 | S | B | -1.0652 | |
| 177 | D | B | -1.8258 | |
| 178 | G | B | -0.7788 | |
| 179 | S | B | 0.0000 | |
| 180 | F | B | 0.3445 | |
| 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 | -0.9678 | |
| 188 | V | B | 0.0000 | |
| 189 | D | B | -2.5578 | |
| 190 | K | B | -2.4113 | |
| 191 | S | B | -2.0908 | |
| 192 | R | B | -1.9033 | |
| 193 | W | B | 0.0000 | |
| 194 | Q | B | -2.1456 | |
| 195 | Q | B | -2.0005 | |
| 196 | G | B | -1.0503 | |
| 197 | N | B | -0.7516 | |
| 198 | V | B | 0.2702 | |
| 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 | -0.9880 | |
| 207 | A | B | -1.5390 | |
| 208 | L | B | 0.0000 | |
| 209 | H | B | -1.7104 | |
| 210 | N | B | -1.2898 | |
| 211 | A | B | -0.6207 | |
| 212 | Y | B | -0.0459 | |
| 213 | T | B | -0.4750 | |
| 214 | Q | B | -0.8267 | |
| 215 | K | B | -0.9731 | |
| 216 | S | B | -0.4720 | |
| 217 | L | B | 0.0000 | |
| 218 | S | B | 0.0794 | |
| 219 | L | B | 0.1269 | |
| 220 | S | B | -0.2218 | |
| 221 | P | B | -0.3980 | |
| 222 | G | B | -0.5112 |
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