| Chain sequence(s) |
A: ASKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFSYGVQCFSRYPDHMKRHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGIT
B: ASKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFSYGVQCFSRYPDHMKRHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGIT 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] (00:00:00)
[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] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:37)
[INFO] Main: Simulation completed successfully. (00:05:40)
|
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 | |
| 1 | A | A | -1.1416 | |
| 2 | S | A | -1.5818 | |
| 3 | K | A | -2.1388 | |
| 4 | G | A | 0.0000 | |
| 5 | E | A | -1.5870 | |
| 6 | E | A | -2.1616 | |
| 7 | L | A | -0.7790 | |
| 8 | F | A | 0.0000 | |
| 9 | T | A | -0.3653 | |
| 10 | G | A | 0.2637 | |
| 11 | V | A | 1.0562 | |
| 12 | V | A | 0.0000 | |
| 13 | P | A | -1.0716 | |
| 14 | I | A | 0.0000 | |
| 15 | L | A | -1.1405 | |
| 16 | V | A | 0.0000 | |
| 17 | E | A | -1.9726 | |
| 18 | L | A | 0.0000 | |
| 19 | D | A | -3.2120 | |
| 20 | G | A | 0.0000 | |
| 21 | D | A | -2.2309 | |
| 22 | V | A | 0.0000 | |
| 23 | N | A | -1.7399 | |
| 24 | G | A | -1.2915 | |
| 25 | H | A | -1.7419 | |
| 26 | K | A | -2.6428 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | -1.7688 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -1.1035 | |
| 31 | G | A | 0.0000 | |
| 32 | E | A | -2.4137 | |
| 33 | G | A | -1.7275 | |
| 34 | E | A | -1.8033 | |
| 35 | G | A | 0.0000 | |
| 36 | D | A | -0.3023 | |
| 37 | A | A | 0.0000 | |
| 38 | T | A | -0.1145 | |
| 39 | Y | A | -0.3322 | |
| 40 | G | A | 0.0000 | |
| 41 | K | A | -0.6428 | |
| 42 | L | A | 0.0000 | |
| 43 | T | A | -1.0806 | |
| 44 | L | A | 0.0000 | |
| 45 | K | A | -1.5118 | |
| 46 | F | A | 0.0000 | |
| 47 | I | A | -1.2205 | |
| 48 | C | A | 0.0000 | |
| 49 | T | A | -0.7500 | |
| 50 | T | A | -1.1641 | |
| 51 | G | A | -1.6644 | |
| 52 | K | A | -2.2882 | |
| 53 | L | A | 0.0000 | |
| 54 | P | A | -1.1269 | |
| 55 | V | A | 0.0000 | |
| 56 | P | A | 0.0000 | |
| 57 | W | A | 0.0000 | |
| 58 | P | A | 0.0000 | |
| 59 | T | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | T | A | 0.0000 | |
| 63 | T | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 66 | Y | A | 0.0000 | |
| 67 | G | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | Q | A | 0.0000 | |
| 70 | C | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | S | A | 0.0000 | |
| 73 | R | A | -0.6716 | |
| 74 | Y | A | 0.0000 | |
| 75 | P | A | -1.6428 | |
| 76 | D | A | -2.7548 | |
| 77 | H | A | -2.3444 | |
| 78 | M | A | 0.0000 | |
| 79 | K | A | -2.3451 | |
| 80 | R | A | -2.7303 | |
| 81 | H | A | -1.6802 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | F | A | 0.0000 | |
| 85 | K | A | 0.0000 | |
| 86 | S | A | -0.9708 | |
| 87 | A | A | 0.0000 | |
| 88 | M | A | 0.0000 | |
| 89 | P | A | -1.0002 | |
| 90 | E | A | -1.5836 | |
| 91 | G | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | V | A | -0.6359 | |
| 94 | Q | A | 0.0000 | |
| 95 | E | A | -2.3667 | |
| 96 | R | A | 0.0000 | |
| 97 | T | A | -0.4845 | |
| 98 | I | A | 0.0000 | |
| 99 | F | A | 0.2756 | |
| 100 | F | A | 0.0000 | |
| 101 | K | A | -2.1887 | |
| 102 | D | A | -2.9533 | |
| 103 | D | A | -2.5937 | |
| 104 | G | A | 0.0000 | |
| 105 | N | A | -0.6993 | |
| 106 | Y | A | 0.0000 | |
| 107 | K | A | -1.6560 | |
| 108 | T | A | 0.0000 | |
| 109 | R | A | -3.2691 | |
| 110 | A | A | 0.0000 | |
| 111 | E | A | -1.7883 | |
| 112 | V | A | 0.0000 | |
| 113 | K | A | -1.1562 | |
| 114 | F | A | -1.2802 | |
| 115 | E | A | -1.5844 | |
| 116 | G | A | -1.7123 | |
| 117 | D | A | -2.1368 | |
| 118 | T | A | -1.6123 | |
| 119 | L | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | N | A | 0.0000 | |
| 122 | R | A | -2.2722 | |
| 123 | I | A | 0.0000 | |
| 124 | E | A | -3.8293 | |
| 125 | L | A | 0.0000 | |
| 126 | K | A | -2.2175 | |
| 127 | G | A | 0.0000 | |
| 128 | I | A | -1.1025 | |
| 129 | D | A | -2.4731 | |
| 130 | F | A | 0.0000 | |
| 131 | K | A | -3.7726 | |
| 132 | E | A | -3.8627 | |
| 133 | D | A | -3.5276 | |
| 134 | G | A | -2.7769 | |
| 135 | N | A | -2.2202 | |
| 136 | I | A | 0.0000 | |
| 137 | L | A | -1.9489 | |
| 138 | G | A | -2.2749 | |
| 139 | H | A | -2.0971 | |
| 140 | K | A | -2.3473 | |
| 141 | L | A | 0.0000 | |
| 142 | E | A | -1.2662 | |
| 143 | Y | A | -0.3277 | |
| 144 | N | A | 0.0000 | |
| 145 | Y | A | 0.0000 | |
| 146 | N | A | 0.0000 | |
| 147 | S | A | 0.0000 | |
| 148 | H | A | 0.0000 | |
| 149 | N | A | -0.3535 | |
| 150 | V | A | 0.0000 | |
| 151 | Y | A | 0.2894 | |
| 152 | I | A | 0.0000 | |
| 153 | M | A | -0.8389 | |
| 154 | A | A | -1.7788 | |
| 155 | D | A | -2.3610 | |
| 156 | K | A | -3.2410 | |
| 157 | Q | A | -3.1779 | |
| 158 | K | A | -3.3658 | |
| 159 | N | A | -2.7436 | |
| 160 | G | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | K | A | -1.1850 | |
| 163 | V | A | 0.0000 | |
| 164 | N | A | -0.3301 | |
| 165 | F | A | 0.0000 | |
| 166 | K | A | -1.4246 | |
| 167 | I | A | 0.0000 | |
| 168 | R | A | -0.6962 | |
| 169 | H | A | 0.0000 | |
| 170 | N | A | -0.8596 | |
| 171 | I | A | 0.0000 | |
| 172 | E | A | -3.1450 | |
| 173 | D | A | -2.9641 | |
| 174 | G | A | -1.8580 | |
| 175 | S | A | -0.7859 | |
| 176 | V | A | 0.0116 | |
| 177 | Q | A | 0.0000 | |
| 178 | L | A | -0.6715 | |
| 179 | A | A | 0.0000 | |
| 180 | D | A | -0.6937 | |
| 181 | H | A | 0.0000 | |
| 182 | Y | A | -0.0708 | |
| 183 | Q | A | 0.0000 | |
| 184 | Q | A | -1.2766 | |
| 185 | N | A | 0.0000 | |
| 186 | T | A | -0.7479 | |
| 187 | P | A | -0.6345 | |
| 188 | I | A | -0.0059 | |
| 189 | G | A | -1.0793 | |
| 190 | D | A | -1.9741 | |
| 191 | G | A | -1.2540 | |
| 192 | P | A | -0.7482 | |
| 193 | V | A | -0.4355 | |
| 194 | L | A | -0.4275 | |
| 195 | L | A | -0.9040 | |
| 196 | P | A | 0.0000 | |
| 197 | D | A | -2.3717 | |
| 198 | N | A | -1.6188 | |
| 199 | H | A | 0.0000 | |
| 200 | Y | A | -0.0022 | |
| 201 | L | A | 0.0000 | |
| 202 | S | A | -0.0811 | |
| 203 | T | A | 0.0000 | |
| 204 | Q | A | 0.0000 | |
| 205 | S | A | 0.0000 | |
| 206 | A | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | S | A | -0.5843 | |
| 209 | K | A | -1.5305 | |
| 210 | D | A | -1.7447 | |
| 211 | P | A | -1.5631 | |
| 212 | N | A | -2.2889 | |
| 213 | E | A | -2.5700 | |
| 214 | K | A | -3.1351 | |
| 215 | R | A | -3.1685 | |
| 216 | D | A | -2.1433 | |
| 217 | H | A | 0.0000 | |
| 218 | M | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | L | A | -0.0333 | |
| 222 | E | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | V | A | 0.0000 | |
| 225 | T | A | -0.1941 | |
| 226 | A | A | 0.0000 | |
| 227 | A | A | -0.1977 | |
| 228 | G | A | -0.5841 | |
| 229 | I | A | -0.6015 | |
| 230 | T | A | -0.2034 | |
| 1 | A | B | -1.1754 | |
| 2 | S | B | -1.6178 | |
| 3 | K | B | -2.2101 | |
| 4 | G | B | 0.0000 | |
| 5 | E | B | -1.6938 | |
| 6 | E | B | -2.2413 | |
| 7 | L | B | -0.8462 | |
| 8 | F | B | 0.0000 | |
| 9 | T | B | -0.3968 | |
| 10 | G | B | 0.1950 | |
| 11 | V | B | 1.0140 | |
| 12 | V | B | 0.0000 | |
| 13 | P | B | -1.1031 | |
| 14 | I | B | 0.0000 | |
| 15 | L | B | -1.1600 | |
| 16 | V | B | 0.0000 | |
| 17 | E | B | -1.9658 | |
| 18 | L | B | 0.0000 | |
| 19 | D | B | -3.1914 | |
| 20 | G | B | 0.0000 | |
| 21 | D | B | -2.1816 | |
| 22 | V | B | 0.0000 | |
| 23 | N | B | -1.7216 | |
| 24 | G | B | -1.3040 | |
| 25 | H | B | -1.7602 | |
| 26 | K | B | -2.6750 | |
| 27 | F | B | 0.0000 | |
| 28 | S | B | -1.7435 | |
| 29 | V | B | 0.0000 | |
| 30 | S | B | -1.0890 | |
| 31 | G | B | 0.0000 | |
| 32 | E | B | -2.4500 | |
| 33 | G | B | -1.7995 | |
| 34 | E | B | -1.8735 | |
| 35 | G | B | 0.0000 | |
| 36 | D | B | -0.3390 | |
| 37 | A | B | 0.0000 | |
| 38 | T | B | -0.2037 | |
| 39 | Y | B | -0.5021 | |
| 40 | G | B | 0.0000 | |
| 41 | K | B | -0.7942 | |
| 42 | L | B | 0.0000 | |
| 43 | T | B | -1.1305 | |
| 44 | L | B | 0.0000 | |
| 45 | K | B | -1.5339 | |
| 46 | F | B | 0.0000 | |
| 47 | I | B | -1.2309 | |
| 48 | C | B | 0.0000 | |
| 49 | T | B | -0.7823 | |
| 50 | T | B | -1.1974 | |
| 51 | G | B | -1.7284 | |
| 52 | K | B | -2.3462 | |
| 53 | L | B | 0.0000 | |
| 54 | P | B | -1.1824 | |
| 55 | V | B | 0.0000 | |
| 56 | P | B | 0.0000 | |
| 57 | W | B | 0.0000 | |
| 58 | P | B | 0.0000 | |
| 59 | T | B | 0.0000 | |
| 60 | L | B | 0.0000 | |
| 61 | V | B | 0.0000 | |
| 62 | T | B | 0.0000 | |
| 63 | T | B | 0.0000 | |
| 64 | F | B | 0.0000 | |
| 66 | Y | B | 0.0000 | |
| 67 | G | B | 0.0000 | |
| 68 | V | B | 0.0000 | |
| 69 | Q | B | 0.0000 | |
| 70 | C | B | 0.0000 | |
| 71 | F | B | 0.0000 | |
| 72 | S | B | 0.0000 | |
| 73 | R | B | -1.0357 | |
| 74 | Y | B | 0.0000 | |
| 75 | P | B | -1.7280 | |
| 76 | D | B | -2.8348 | |
| 77 | H | B | -2.3931 | |
| 78 | M | B | 0.0000 | |
| 79 | K | B | -2.5202 | |
| 80 | R | B | -2.7905 | |
| 81 | H | B | -1.7256 | |
| 82 | D | B | 0.0000 | |
| 83 | F | B | 0.0000 | |
| 84 | F | B | 0.0000 | |
| 85 | K | B | 0.0000 | |
| 86 | S | B | -0.9969 | |
| 87 | A | B | 0.0000 | |
| 88 | M | B | 0.0000 | |
| 89 | P | B | -1.1721 | |
| 90 | E | B | -1.6130 | |
| 91 | G | B | 0.0000 | |
| 92 | Y | B | 0.0000 | |
| 93 | V | B | -0.8302 | |
| 94 | Q | B | 0.0000 | |
| 95 | E | B | -2.9024 | |
| 96 | R | B | 0.0000 | |
| 97 | T | B | -0.5207 | |
| 98 | I | B | 0.0000 | |
| 99 | F | B | 0.4240 | |
| 100 | F | B | 0.0000 | |
| 101 | K | B | -1.8353 | |
| 102 | D | B | -2.8194 | |
| 103 | D | B | -2.5197 | |
| 104 | G | B | 0.0000 | |
| 105 | N | B | -0.5735 | |
| 106 | Y | B | 0.0000 | |
| 107 | K | B | -1.5873 | |
| 108 | T | B | 0.0000 | |
| 109 | R | B | -3.6261 | |
| 110 | A | B | 0.0000 | |
| 111 | E | B | -1.8908 | |
| 112 | V | B | 0.0000 | |
| 113 | K | B | -1.1656 | |
| 114 | F | B | -1.2847 | |
| 115 | E | B | -1.5815 | |
| 116 | G | B | -1.7069 | |
| 117 | D | B | -2.1387 | |
| 118 | T | B | -1.4400 | |
| 119 | L | B | 0.0000 | |
| 120 | V | B | 0.0000 | |
| 121 | N | B | 0.0000 | |
| 122 | R | B | -2.2883 | |
| 123 | I | B | 0.0000 | |
| 124 | E | B | -3.8846 | |
| 125 | L | B | 0.0000 | |
| 126 | K | B | -2.0328 | |
| 127 | G | B | 0.0000 | |
| 128 | I | B | -0.9529 | |
| 129 | D | B | -2.4268 | |
| 130 | F | B | 0.0000 | |
| 131 | K | B | -3.8869 | |
| 132 | E | B | -3.9321 | |
| 133 | D | B | -3.5669 | |
| 134 | G | B | 0.0000 | |
| 135 | N | B | -2.1103 | |
| 136 | I | B | 0.0000 | |
| 137 | L | B | -1.9840 | |
| 138 | G | B | -2.2872 | |
| 139 | H | B | -2.0837 | |
| 140 | K | B | -2.3163 | |
| 141 | L | B | 0.0000 | |
| 142 | E | B | -1.2291 | |
| 143 | Y | B | -0.2987 | |
| 144 | N | B | 0.0000 | |
| 145 | Y | B | 0.0000 | |
| 146 | N | B | 0.0000 | |
| 147 | S | B | 0.0000 | |
| 148 | H | B | 0.0000 | |
| 149 | N | B | -0.6973 | |
| 150 | V | B | 0.0000 | |
| 151 | Y | B | 0.1145 | |
| 152 | I | B | 0.0000 | |
| 153 | M | B | -0.7990 | |
| 154 | A | B | -1.6570 | |
| 155 | D | B | 0.0000 | |
| 156 | K | B | -3.1089 | |
| 157 | Q | B | -3.1438 | |
| 158 | K | B | -3.4368 | |
| 159 | N | B | -2.6714 | |
| 160 | G | B | 0.0000 | |
| 161 | I | B | 0.0000 | |
| 162 | K | B | -1.2060 | |
| 163 | V | B | 0.0000 | |
| 164 | N | B | -0.5805 | |
| 165 | F | B | 0.0000 | |
| 166 | K | B | -1.2790 | |
| 167 | I | B | 0.0000 | |
| 168 | R | B | -0.6207 | |
| 169 | H | B | 0.0000 | |
| 170 | N | B | -0.8116 | |
| 171 | I | B | 0.0000 | |
| 172 | E | B | -3.1332 | |
| 173 | D | B | -2.9546 | |
| 174 | G | B | -1.8186 | |
| 175 | S | B | -0.7828 | |
| 176 | V | B | 0.0964 | |
| 177 | Q | B | 0.0000 | |
| 178 | L | B | -0.4498 | |
| 179 | A | B | 0.0000 | |
| 180 | D | B | -0.5277 | |
| 181 | H | B | 0.0000 | |
| 182 | Y | B | -0.0592 | |
| 183 | Q | B | 0.0000 | |
| 184 | Q | B | -1.7690 | |
| 185 | N | B | 0.0000 | |
| 186 | T | B | -0.8553 | |
| 187 | P | B | -0.6444 | |
| 188 | I | B | -0.0189 | |
| 189 | G | B | -1.0734 | |
| 190 | D | B | -1.9682 | |
| 191 | G | B | -1.2434 | |
| 192 | P | B | -0.7162 | |
| 193 | V | B | -0.3831 | |
| 194 | L | B | -0.4086 | |
| 195 | L | B | -0.7796 | |
| 196 | P | B | 0.0000 | |
| 197 | D | B | -2.3357 | |
| 198 | N | B | -1.5699 | |
| 199 | H | B | 0.0000 | |
| 200 | Y | B | 0.0020 | |
| 201 | L | B | 0.0000 | |
| 202 | S | B | -0.2238 | |
| 203 | T | B | 0.0000 | |
| 204 | Q | B | 0.0000 | |
| 205 | S | B | 0.0000 | |
| 206 | A | B | 0.0000 | |
| 207 | L | B | 0.0000 | |
| 208 | S | B | 0.0000 | |
| 209 | K | B | -1.1518 | |
| 210 | D | B | -1.6826 | |
| 211 | P | B | -1.4932 | |
| 212 | N | B | -2.2821 | |
| 213 | E | B | -2.5452 | |
| 214 | K | B | -3.1386 | |
| 215 | R | B | -3.3873 | |
| 216 | D | B | -2.2824 | |
| 217 | H | B | 0.0000 | |
| 218 | M | B | 0.0000 | |
| 219 | V | B | 0.0000 | |
| 220 | L | B | 0.0000 | |
| 221 | L | B | -0.0473 | |
| 222 | E | B | 0.0000 | |
| 223 | F | B | 0.0000 | |
| 224 | V | B | 0.0000 | |
| 225 | T | B | -0.4415 | |
| 226 | A | B | 0.0000 | |
| 227 | A | B | -0.2157 | |
| 228 | G | B | -0.5232 | |
| 229 | I | B | -0.5508 | |
| 230 | T | B | -0.1996 |
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