| Chain sequence(s) |
A: HWGYSGKSAPEYWGELSPKYEMCKIGKNQSPVDIRTQDAYDVDLEQLIFSYYAKTTHVSKAHGIKVAVDPGNFIVVDGNKFKLKQFHFHSPSETMVNGRSFPLEAHFVHVSDDGQIAVIAVFFEYGKSNPLLEKIFSKAPAVENLDSSLVFKPKEIMKLYPANKEYYRYNGSLTTPPCTEGVRWIVMKKPLTVSKKQIKRFKELVPYSNNRPVQPINARVILK
B: HWGYSGKSAPEYWGELSPKYEMCKIGKNQSPVDIRTQDAYDVDLEQLIFSYYAKTTHVSKAHGIKVAVDPGNFIVVDGNKFKLKQFHFHSPSETMVNGRSFPLEAHFVHVSDDGQIAVIAVFFEYGKSNPLLEKIFSKAPAVENLDSSLVFKPKEIMKLYPANKEYYRYNGSLTTPPCTEGVRWIVMKKPLTVSKKQIKRFKELVPYSNNRPVQPINARVILK input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:02)
[INFO] Main: Simulation completed successfully. (00:06:05)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 27 | H | A | -0.8740 | |
| 28 | W | A | -0.5304 | |
| 29 | G | A | -0.5027 | |
| 30 | Y | A | -0.4309 | |
| 31 | S | A | -0.7348 | |
| 32 | G | A | -1.5014 | |
| 33 | K | A | -2.0413 | |
| 34 | S | A | -1.4746 | |
| 35 | A | A | 0.0000 | |
| 36 | P | A | -1.4754 | |
| 37 | E | A | -2.4175 | |
| 38 | Y | A | -1.5492 | |
| 39 | W | A | 0.0000 | |
| 40 | G | A | -2.3031 | |
| 41 | E | A | -2.5264 | |
| 42 | L | A | -1.1756 | |
| 43 | S | A | -1.3676 | |
| 44 | P | A | -1.7463 | |
| 45 | K | A | -2.2832 | |
| 46 | Y | A | -1.8888 | |
| 47 | E | A | -2.4853 | |
| 48 | M | A | -1.1630 | |
| 49 | C | A | 0.0000 | |
| 50 | K | A | -2.3845 | |
| 51 | I | A | -0.6734 | |
| 52 | G | A | -0.7654 | |
| 53 | K | A | -0.5464 | |
| 54 | N | A | 0.0000 | |
| 55 | Q | A | 0.0000 | |
| 56 | S | A | 0.0000 | |
| 57 | P | A | 0.0000 | |
| 58 | V | A | 0.0000 | |
| 59 | D | A | -1.3354 | |
| 60 | I | A | 0.0000 | |
| 61 | R | A | -3.0393 | |
| 62 | T | A | -2.0170 | |
| 63 | Q | A | -2.4139 | |
| 64 | D | A | -3.0878 | |
| 65 | A | A | -2.1526 | |
| 66 | Y | A | 0.0000 | |
| 67 | D | A | -3.3167 | |
| 68 | V | A | -2.8244 | |
| 69 | D | A | -3.5761 | |
| 70 | L | A | -2.5361 | |
| 71 | E | A | -2.7127 | |
| 72 | Q | A | -1.8403 | |
| 73 | L | A | 0.0000 | |
| 74 | I | A | 2.0145 | |
| 75 | F | A | 2.4633 | |
| 76 | S | A | 1.6504 | |
| 77 | Y | A | 1.4593 | |
| 78 | Y | A | 0.0000 | |
| 79 | A | A | -0.5362 | |
| 80 | K | A | 0.0000 | |
| 81 | T | A | -0.0367 | |
| 82 | T | A | 0.1540 | |
| 83 | H | A | 0.0000 | |
| 84 | V | A | -0.4761 | |
| 85 | S | A | 0.0000 | |
| 86 | K | A | -1.9691 | |
| 87 | A | A | -0.7510 | |
| 88 | H | A | -0.6642 | |
| 89 | G | A | -0.5422 | |
| 90 | I | A | 0.0000 | |
| 91 | K | A | -0.7009 | |
| 92 | V | A | 0.0000 | |
| 93 | A | A | -0.6592 | |
| 94 | V | A | -1.3444 | |
| 95 | D | A | -1.9296 | |
| 96 | P | A | -1.4505 | |
| 97 | G | A | -0.8388 | |
| 98 | N | A | 0.0000 | |
| 99 | F | A | 0.2408 | |
| 100 | I | A | 0.0000 | |
| 101 | V | A | -0.1040 | |
| 102 | V | A | 0.0000 | |
| 103 | D | A | -1.7220 | |
| 104 | G | A | -1.4088 | |
| 105 | N | A | -2.4619 | |
| 106 | K | A | -2.1411 | |
| 107 | F | A | 0.0000 | |
| 108 | K | A | -1.7231 | |
| 109 | L | A | 0.0000 | |
| 110 | K | A | -2.0338 | |
| 111 | Q | A | -1.2339 | |
| 112 | F | A | 0.0000 | |
| 113 | H | A | -0.3148 | |
| 114 | F | A | 0.0000 | |
| 115 | H | A | 0.0000 | |
| 116 | S | A | 0.0000 | |
| 117 | P | A | -0.1354 | |
| 118 | S | A | 0.0000 | |
| 119 | E | A | 0.0000 | |
| 120 | T | A | 0.0000 | |
| 121 | M | A | -1.0690 | |
| 122 | V | A | -1.7537 | |
| 123 | N | A | -2.8737 | |
| 124 | G | A | -2.0458 | |
| 125 | R | A | -2.2964 | |
| 126 | S | A | -1.1972 | |
| 127 | F | A | 0.0000 | |
| 128 | P | A | -0.3345 | |
| 129 | L | A | 0.0000 | |
| 130 | E | A | 0.0000 | |
| 131 | A | A | 0.0000 | |
| 132 | H | A | 0.0000 | |
| 133 | F | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | H | A | 0.0000 | |
| 136 | V | A | -1.3222 | |
| 137 | S | A | 0.0000 | |
| 138 | D | A | -3.2364 | |
| 139 | D | A | -2.9081 | |
| 140 | G | A | -1.9946 | |
| 141 | Q | A | -1.3910 | |
| 142 | I | A | -0.3248 | |
| 143 | A | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | A | A | 0.0000 | |
| 147 | V | A | 0.0000 | |
| 148 | F | A | 0.0000 | |
| 149 | F | A | 0.0000 | |
| 150 | E | A | -0.2906 | |
| 151 | Y | A | -0.1183 | |
| 152 | G | A | -1.0447 | |
| 153 | K | A | -2.0255 | |
| 154 | S | A | -1.7998 | |
| 155 | N | A | -1.5864 | |
| 156 | P | A | -1.6830 | |
| 157 | L | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | E | A | -2.4228 | |
| 160 | K | A | -2.6582 | |
| 161 | I | A | 0.0000 | |
| 162 | F | A | 0.0000 | |
| 163 | S | A | -1.3446 | |
| 164 | K | A | -1.0858 | |
| 165 | A | A | -0.7716 | |
| 166 | P | A | 0.0000 | |
| 167 | A | A | -0.0943 | |
| 168 | V | A | 0.2125 | |
| 169 | E | A | -1.6612 | |
| 170 | N | A | -1.5680 | |
| 171 | L | A | 0.1879 | |
| 172 | D | A | -0.7828 | |
| 173 | S | A | -0.3610 | |
| 174 | S | A | 0.5141 | |
| 175 | L | A | 1.1331 | |
| 176 | V | A | 0.0000 | |
| 177 | F | A | 1.3386 | |
| 178 | K | A | -0.9121 | |
| 179 | P | A | -0.7908 | |
| 180 | K | A | 0.0000 | |
| 181 | E | A | -0.5135 | |
| 182 | I | A | 0.0000 | |
| 183 | M | A | -0.2665 | |
| 184 | K | A | -1.7059 | |
| 185 | L | A | 0.0000 | |
| 186 | Y | A | 0.0000 | |
| 187 | P | A | 0.0000 | |
| 188 | A | A | -1.1599 | |
| 189 | N | A | -2.1722 | |
| 190 | K | A | -2.1190 | |
| 191 | E | A | -2.8030 | |
| 192 | Y | A | 0.0000 | |
| 193 | Y | A | 0.0000 | |
| 194 | R | A | 0.0000 | |
| 195 | Y | A | 0.0000 | |
| 196 | N | A | 0.0000 | |
| 197 | G | A | 0.0000 | |
| 198 | S | A | 0.0000 | |
| 199 | L | A | 0.3461 | |
| 200 | T | A | 0.0000 | |
| 201 | T | A | 0.0374 | |
| 202 | P | A | -0.4128 | |
| 203 | P | A | -0.8088 | |
| 204 | C | A | 0.0000 | |
| 205 | T | A | -0.2194 | |
| 206 | E | A | 0.0000 | |
| 207 | G | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | R | A | 0.0000 | |
| 210 | W | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | V | A | 0.0000 | |
| 213 | M | A | 0.0000 | |
| 214 | K | A | -2.1231 | |
| 215 | K | A | -2.2702 | |
| 216 | P | A | -0.8941 | |
| 217 | L | A | -0.5659 | |
| 218 | T | A | -0.5162 | |
| 219 | V | A | 0.0000 | |
| 220 | S | A | -2.3184 | |
| 221 | K | A | -2.9983 | |
| 222 | K | A | -3.2082 | |
| 223 | Q | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | K | A | -3.2079 | |
| 226 | R | A | -3.5434 | |
| 227 | F | A | 0.0000 | |
| 228 | K | A | -1.9748 | |
| 229 | E | A | -2.4690 | |
| 230 | L | A | -0.8999 | |
| 231 | V | A | 0.0000 | |
| 232 | P | A | -0.5302 | |
| 233 | Y | A | 0.4459 | |
| 234 | S | A | -0.0031 | |
| 235 | N | A | 0.0000 | |
| 236 | N | A | -0.2211 | |
| 237 | R | A | 0.0000 | |
| 238 | P | A | -0.3309 | |
| 239 | V | A | 0.2846 | |
| 240 | Q | A | -0.0880 | |
| 241 | P | A | -0.1976 | |
| 242 | I | A | -0.0760 | |
| 243 | N | A | -0.2135 | |
| 244 | A | A | 0.0000 | |
| 245 | R | A | 0.0000 | |
| 246 | V | A | 0.0000 | |
| 247 | I | A | 0.0000 | |
| 248 | L | A | 0.0000 | |
| 249 | K | A | -2.1382 | |
| 27 | H | B | -0.8373 | |
| 28 | W | B | -0.4649 | |
| 29 | G | B | -0.4949 | |
| 30 | Y | B | -0.4301 | |
| 31 | S | B | -0.7180 | |
| 32 | G | B | -1.4691 | |
| 33 | K | B | -1.9618 | |
| 34 | S | B | -1.3620 | |
| 35 | A | B | -0.9485 | |
| 36 | P | B | -1.2016 | |
| 37 | E | B | -2.3077 | |
| 38 | Y | B | -1.2276 | |
| 39 | W | B | 0.0000 | |
| 40 | G | B | 0.0000 | |
| 41 | E | B | -2.2888 | |
| 42 | L | B | -0.8920 | |
| 43 | S | B | -1.1882 | |
| 44 | P | B | -1.6402 | |
| 45 | K | B | -2.2106 | |
| 46 | Y | B | -1.6559 | |
| 47 | E | B | -2.2207 | |
| 48 | M | B | 0.0000 | |
| 49 | C | B | 0.0000 | |
| 50 | K | B | -2.3218 | |
| 51 | I | B | -0.7026 | |
| 52 | G | B | -0.7793 | |
| 53 | K | B | -0.6969 | |
| 54 | N | B | 0.0000 | |
| 55 | Q | B | 0.0000 | |
| 56 | S | B | 0.0000 | |
| 57 | P | B | 0.0000 | |
| 58 | V | B | 0.0000 | |
| 59 | D | B | -1.3377 | |
| 60 | I | B | 0.0000 | |
| 61 | R | B | -2.6778 | |
| 62 | T | B | -1.7234 | |
| 63 | Q | B | -2.2215 | |
| 64 | D | B | -2.9115 | |
| 65 | A | B | -2.3674 | |
| 66 | Y | B | 0.0000 | |
| 67 | D | B | -3.4094 | |
| 68 | V | B | -2.8433 | |
| 69 | D | B | -3.2962 | |
| 70 | L | B | -2.3270 | |
| 71 | E | B | -2.0129 | |
| 72 | Q | B | -1.7539 | |
| 73 | L | B | 0.0000 | |
| 74 | I | B | 1.6864 | |
| 75 | F | B | 1.5370 | |
| 76 | S | B | 1.1891 | |
| 77 | Y | B | 1.2109 | |
| 78 | Y | B | 0.0000 | |
| 79 | A | B | -0.5376 | |
| 80 | K | B | 0.0000 | |
| 81 | T | B | 0.1012 | |
| 82 | T | B | 0.5138 | |
| 83 | H | B | 0.0000 | |
| 84 | V | B | 0.0000 | |
| 85 | S | B | 0.0000 | |
| 86 | K | B | -1.9352 | |
| 87 | A | B | -0.7434 | |
| 88 | H | B | -0.3992 | |
| 89 | G | B | -0.4976 | |
| 90 | I | B | 0.0000 | |
| 91 | K | B | -0.7323 | |
| 92 | V | B | 0.0000 | |
| 93 | A | B | -0.5108 | |
| 94 | V | B | 0.0000 | |
| 95 | D | B | -1.7025 | |
| 96 | P | B | -1.4082 | |
| 97 | G | B | -0.8603 | |
| 98 | N | B | -0.5310 | |
| 99 | F | B | 0.0184 | |
| 100 | I | B | 0.0000 | |
| 101 | V | B | -0.3152 | |
| 102 | V | B | 0.0000 | |
| 103 | D | B | -1.4580 | |
| 104 | G | B | -1.4182 | |
| 105 | N | B | -2.3736 | |
| 106 | K | B | -1.9160 | |
| 107 | F | B | 0.0000 | |
| 108 | K | B | -1.6619 | |
| 109 | L | B | 0.0000 | |
| 110 | K | B | -1.4790 | |
| 111 | Q | B | -1.0083 | |
| 112 | F | B | 0.0000 | |
| 113 | H | B | -0.3570 | |
| 114 | F | B | 0.0000 | |
| 115 | H | B | 0.0000 | |
| 116 | S | B | 0.0000 | |
| 117 | P | B | -0.1464 | |
| 118 | S | B | 0.0000 | |
| 119 | E | B | 0.0000 | |
| 120 | T | B | 0.0000 | |
| 121 | M | B | -1.2055 | |
| 122 | V | B | 0.0000 | |
| 123 | N | B | -2.7701 | |
| 124 | G | B | -2.2826 | |
| 125 | R | B | -2.7175 | |
| 126 | S | B | -1.4892 | |
| 127 | F | B | 0.0000 | |
| 128 | P | B | -0.5163 | |
| 129 | L | B | 0.0000 | |
| 130 | E | B | 0.0000 | |
| 131 | A | B | 0.0000 | |
| 132 | H | B | 0.0000 | |
| 133 | F | B | 0.0000 | |
| 134 | V | B | 0.0000 | |
| 135 | H | B | 0.0000 | |
| 136 | V | B | -1.1647 | |
| 137 | S | B | 0.0000 | |
| 138 | D | B | -3.2103 | |
| 139 | D | B | -2.8845 | |
| 140 | G | B | -1.9983 | |
| 141 | Q | B | -1.5771 | |
| 142 | I | B | -0.3716 | |
| 143 | A | B | 0.0000 | |
| 144 | V | B | 0.0000 | |
| 145 | I | B | 0.0000 | |
| 146 | A | B | 0.0000 | |
| 147 | V | B | 0.0000 | |
| 148 | F | B | 0.0000 | |
| 149 | F | B | 0.0000 | |
| 150 | E | B | -0.7097 | |
| 151 | Y | B | -0.1128 | |
| 152 | G | B | -0.8417 | |
| 153 | K | B | -1.8653 | |
| 154 | S | B | -1.4376 | |
| 155 | N | B | 0.0000 | |
| 156 | P | B | -1.2205 | |
| 157 | L | B | 0.0000 | |
| 158 | L | B | 0.0000 | |
| 159 | E | B | -1.5539 | |
| 160 | K | B | -2.1303 | |
| 161 | I | B | 0.0000 | |
| 162 | F | B | 0.0000 | |
| 163 | S | B | -1.2722 | |
| 164 | K | B | -1.0730 | |
| 165 | A | B | -0.8152 | |
| 166 | P | B | 0.0000 | |
| 167 | A | B | -0.1436 | |
| 168 | V | B | 0.1961 | |
| 169 | E | B | -1.9755 | |
| 170 | N | B | -1.9101 | |
| 171 | L | B | -0.3098 | |
| 172 | D | B | -1.3749 | |
| 173 | S | B | -0.7834 | |
| 174 | S | B | 0.3480 | |
| 175 | L | B | 1.4704 | |
| 176 | V | B | 0.9627 | |
| 177 | F | B | 1.3873 | |
| 178 | K | B | -0.7405 | |
| 179 | P | B | -0.6891 | |
| 180 | K | B | 0.0000 | |
| 181 | E | B | -0.7090 | |
| 182 | I | B | 0.0000 | |
| 183 | M | B | -0.4975 | |
| 184 | K | B | -1.7984 | |
| 185 | L | B | 0.0000 | |
| 186 | Y | B | 0.0000 | |
| 187 | P | B | 0.0000 | |
| 188 | A | B | -1.0978 | |
| 189 | N | B | -2.0505 | |
| 190 | K | B | -2.1898 | |
| 191 | E | B | -2.9245 | |
| 192 | Y | B | 0.0000 | |
| 193 | Y | B | 0.0000 | |
| 194 | R | B | 0.0000 | |
| 195 | Y | B | 0.0000 | |
| 196 | N | B | 0.0000 | |
| 197 | G | B | 0.0000 | |
| 198 | S | B | 0.0000 | |
| 199 | L | B | 0.3140 | |
| 200 | T | B | 0.0000 | |
| 201 | T | B | 0.0341 | |
| 202 | P | B | -0.3873 | |
| 203 | P | B | -0.6644 | |
| 204 | C | B | 0.0000 | |
| 205 | T | B | -0.2046 | |
| 206 | E | B | 0.0000 | |
| 207 | G | B | 0.0000 | |
| 208 | V | B | 0.0000 | |
| 209 | R | B | 0.0000 | |
| 210 | W | B | 0.0000 | |
| 211 | I | B | 0.0000 | |
| 212 | V | B | 0.0000 | |
| 213 | M | B | 0.0000 | |
| 214 | K | B | -2.2399 | |
| 215 | K | B | -2.1300 | |
| 216 | P | B | -0.9288 | |
| 217 | L | B | -0.4773 | |
| 218 | T | B | -0.6042 | |
| 219 | V | B | 0.0000 | |
| 220 | S | B | -1.8511 | |
| 221 | K | B | -2.5978 | |
| 222 | K | B | -2.9083 | |
| 223 | Q | B | 0.0000 | |
| 224 | I | B | 0.0000 | |
| 225 | K | B | -3.3660 | |
| 226 | R | B | -2.5814 | |
| 227 | F | B | 0.0000 | |
| 228 | K | B | -1.9454 | |
| 229 | E | B | -2.3401 | |
| 230 | L | B | -0.6357 | |
| 231 | V | B | 0.0000 | |
| 232 | P | B | -0.2550 | |
| 233 | Y | B | 0.6417 | |
| 234 | S | B | 0.0737 | |
| 235 | N | B | 0.0000 | |
| 236 | N | B | -0.1270 | |
| 237 | R | B | 0.0000 | |
| 238 | P | B | -0.2476 | |
| 239 | V | B | 0.4228 | |
| 240 | Q | B | -0.0390 | |
| 241 | P | B | -0.2022 | |
| 242 | I | B | -0.0671 | |
| 243 | N | B | -0.1931 | |
| 244 | A | B | 0.0000 | |
| 245 | R | B | 0.0000 | |
| 246 | V | B | -0.1685 | |
| 247 | I | B | 0.0000 | |
| 248 | L | B | 0.0000 | |
| 249 | K | B | -1.9906 |
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