| Chain sequence(s) |
A: EPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
B: EPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK 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 (00:14:41)
[INFO] Main: Simulation completed successfully. (00:14:51)
|
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 | E | A | -2.4216 | |
| 2 | P | A | -2.1711 | |
| 3 | K | A | -2.5719 | |
| 4 | S | A | -1.9341 | |
| 5 | C | A | -1.9538 | |
| 6 | D | A | -2.8985 | |
| 7 | K | A | -3.1087 | |
| 8 | T | A | -1.8848 | |
| 9 | H | A | -2.1998 | |
| 10 | T | A | -0.9601 | |
| 11 | C | A | -0.3180 | |
| 12 | P | A | -0.2920 | |
| 13 | P | A | -0.0807 | |
| 14 | C | A | 0.1845 | |
| 15 | P | A | -0.5051 | |
| 16 | A | A | -0.4375 | |
| 17 | P | A | -0.5013 | |
| 18 | E | A | -0.7431 | |
| 19 | L | A | 1.3649 | |
| 20 | L | A | 1.3131 | |
| 21 | G | A | 0.4485 | |
| 22 | G | A | 0.2199 | |
| 23 | P | A | 0.0000 | |
| 24 | S | A | -0.0760 | |
| 25 | V | A | 0.0000 | |
| 26 | F | A | 1.1590 | |
| 27 | L | A | 0.8858 | |
| 28 | F | A | 1.0858 | |
| 29 | P | A | -0.1538 | |
| 30 | P | A | 0.0000 | |
| 31 | K | A | -2.0078 | |
| 32 | P | A | -1.3032 | |
| 33 | K | A | -1.0848 | |
| 34 | D | A | -1.1994 | |
| 35 | T | A | 0.0000 | |
| 36 | L | A | 0.0000 | |
| 37 | M | A | 0.3371 | |
| 38 | I | A | 1.3396 | |
| 39 | S | A | 0.1773 | |
| 40 | R | A | -0.8909 | |
| 41 | T | A | -0.6799 | |
| 42 | P | A | 0.0000 | |
| 43 | E | A | -1.1688 | |
| 44 | V | A | 0.0000 | |
| 45 | T | A | 0.2579 | |
| 46 | C | A | 0.0000 | |
| 47 | V | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | V | A | 0.0000 | |
| 50 | D | A | -1.1883 | |
| 51 | V | A | 0.0000 | |
| 52 | S | A | -1.8563 | |
| 53 | H | A | -2.5929 | |
| 54 | E | A | -2.9731 | |
| 55 | D | A | -2.5956 | |
| 56 | P | A | -2.6858 | |
| 57 | E | A | -3.0924 | |
| 58 | V | A | -1.9848 | |
| 59 | K | A | -2.2311 | |
| 60 | F | A | -1.1322 | |
| 61 | N | A | -1.1342 | |
| 62 | W | A | 0.0000 | |
| 63 | Y | A | -0.6498 | |
| 64 | V | A | -0.8914 | |
| 65 | D | A | -2.1228 | |
| 66 | G | A | -0.8912 | |
| 67 | V | A | 0.5557 | |
| 68 | E | A | -0.7364 | |
| 69 | V | A | -0.5760 | |
| 70 | H | A | -1.8966 | |
| 71 | N | A | -2.1668 | |
| 72 | A | A | -1.8628 | |
| 73 | K | A | -2.3851 | |
| 74 | T | A | -1.8751 | |
| 75 | K | A | -2.3370 | |
| 76 | P | A | -2.3515 | |
| 77 | R | A | -3.4316 | |
| 78 | E | A | -3.7077 | |
| 79 | E | A | -3.3608 | |
| 80 | Q | A | -1.5672 | |
| 81 | Y | A | 0.2673 | |
| 82 | N | A | -0.5649 | |
| 83 | S | A | -0.9700 | |
| 84 | T | A | -1.8785 | |
| 85 | Y | A | 0.0000 | |
| 86 | R | A | -2.5613 | |
| 87 | V | A | 0.0000 | |
| 88 | V | A | -0.8972 | |
| 89 | S | A | 0.0000 | |
| 90 | V | A | -0.8166 | |
| 91 | L | A | 0.0000 | |
| 92 | T | A | -0.7129 | |
| 93 | V | A | 0.0000 | |
| 94 | L | A | 0.4711 | |
| 95 | H | A | 0.0000 | |
| 96 | Q | A | -1.1712 | |
| 97 | D | A | -1.4161 | |
| 98 | W | A | 0.0000 | |
| 99 | L | A | -0.9641 | |
| 100 | N | A | -2.0556 | |
| 101 | G | A | -2.0466 | |
| 102 | K | A | -2.1180 | |
| 103 | E | A | -1.9888 | |
| 104 | Y | A | 0.0000 | |
| 105 | K | A | -1.5965 | |
| 106 | C | A | 0.0000 | |
| 107 | K | A | -1.4910 | |
| 108 | V | A | 0.0000 | |
| 109 | S | A | -1.4338 | |
| 110 | N | A | 0.0000 | |
| 111 | K | A | -2.5337 | |
| 112 | A | A | -1.3851 | |
| 113 | L | A | -0.5484 | |
| 114 | P | A | -0.4761 | |
| 115 | A | A | -0.3975 | |
| 116 | P | A | -0.8226 | |
| 117 | I | A | -0.5501 | |
| 118 | E | A | -1.8635 | |
| 119 | K | A | -1.2206 | |
| 120 | T | A | -0.9860 | |
| 121 | I | A | -0.2152 | |
| 122 | S | A | -1.0904 | |
| 123 | K | A | -1.2339 | |
| 124 | A | A | -1.1527 | |
| 125 | K | A | -2.3471 | |
| 126 | G | A | -1.9567 | |
| 127 | Q | A | -2.0987 | |
| 128 | P | A | -1.7106 | |
| 129 | R | A | -1.9383 | |
| 130 | E | A | -2.5411 | |
| 131 | P | A | 0.0000 | |
| 132 | Q | A | -1.2700 | |
| 133 | V | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | T | A | -0.7841 | |
| 136 | L | A | 0.0000 | |
| 137 | P | A | -0.3941 | |
| 138 | P | A | -0.8747 | |
| 139 | S | A | 0.0000 | |
| 140 | R | A | -2.6717 | |
| 141 | D | A | -2.8249 | |
| 142 | E | A | 0.0000 | |
| 143 | L | A | -1.8497 | |
| 144 | T | A | -1.6097 | |
| 145 | K | A | -2.2036 | |
| 146 | N | A | -2.4801 | |
| 147 | Q | A | -2.2873 | |
| 148 | V | A | 0.0000 | |
| 149 | S | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | T | A | 0.0000 | |
| 152 | C | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | K | A | -0.4497 | |
| 156 | G | A | -0.9315 | |
| 157 | F | A | 0.0000 | |
| 158 | Y | A | -0.9426 | |
| 159 | P | A | 0.0000 | |
| 160 | S | A | -0.0746 | |
| 161 | D | A | -0.9261 | |
| 162 | I | A | -0.5275 | |
| 163 | A | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | E | A | -0.9799 | |
| 166 | W | A | 0.0000 | |
| 167 | E | A | -1.6635 | |
| 168 | S | A | 0.0000 | |
| 169 | N | A | -1.8615 | |
| 170 | G | A | -1.7581 | |
| 171 | Q | A | -2.2670 | |
| 172 | P | A | -1.9120 | |
| 173 | E | A | -1.8549 | |
| 174 | N | A | -2.1910 | |
| 175 | N | A | -1.7370 | |
| 176 | Y | A | -1.2070 | |
| 177 | K | A | -1.0066 | |
| 178 | T | A | -0.3334 | |
| 179 | T | A | 0.0000 | |
| 180 | P | A | -0.0515 | |
| 181 | P | A | 0.2419 | |
| 182 | V | A | 0.6895 | |
| 183 | L | A | 1.0784 | |
| 184 | D | A | -0.3524 | |
| 185 | S | A | -1.0803 | |
| 186 | D | A | -1.8493 | |
| 187 | G | A | -0.8072 | |
| 188 | S | A | 0.0000 | |
| 189 | F | A | 0.3101 | |
| 190 | F | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | Y | A | 0.0000 | |
| 193 | S | A | 0.0000 | |
| 194 | K | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | T | A | -0.9918 | |
| 197 | V | A | 0.0000 | |
| 198 | D | A | -2.4178 | |
| 199 | K | A | -2.5207 | |
| 200 | S | A | -2.1943 | |
| 201 | R | A | -2.0142 | |
| 202 | W | A | 0.0000 | |
| 203 | Q | A | -2.2909 | |
| 204 | Q | A | -2.1255 | |
| 205 | G | A | -1.2447 | |
| 206 | N | A | -0.8373 | |
| 207 | V | A | 0.0906 | |
| 208 | F | A | 0.0000 | |
| 209 | S | A | -0.9024 | |
| 210 | C | A | 0.0000 | |
| 211 | S | A | 0.0000 | |
| 212 | V | A | 0.0000 | |
| 213 | M | A | 0.0000 | |
| 214 | H | A | 0.0000 | |
| 215 | E | A | -1.0205 | |
| 216 | A | A | -1.4638 | |
| 217 | L | A | -1.3942 | |
| 218 | H | A | -1.7475 | |
| 219 | N | A | -1.4514 | |
| 220 | H | A | -0.9109 | |
| 221 | Y | A | -0.4010 | |
| 222 | T | A | -0.6721 | |
| 223 | Q | A | -0.9957 | |
| 224 | K | A | -1.0215 | |
| 225 | S | A | -0.5245 | |
| 226 | L | A | 0.0000 | |
| 227 | S | A | -0.1889 | |
| 228 | L | A | -0.3539 | |
| 229 | S | A | -0.7058 | |
| 230 | P | A | -0.9645 | |
| 231 | G | A | -1.4225 | |
| 232 | K | A | -2.2272 | |
| 1 | E | B | -2.4249 | |
| 2 | P | B | -1.9884 | |
| 3 | K | B | -2.5757 | |
| 4 | S | B | -1.9012 | |
| 5 | C | B | -1.8782 | |
| 6 | D | B | -2.8703 | |
| 7 | K | B | -3.0947 | |
| 8 | T | B | -1.8754 | |
| 9 | H | B | -2.2178 | |
| 10 | T | B | -0.9739 | |
| 11 | C | B | -0.3538 | |
| 12 | P | B | -0.3132 | |
| 13 | P | B | -0.0963 | |
| 14 | C | B | 0.1661 | |
| 15 | P | B | -0.5261 | |
| 16 | A | B | -0.4220 | |
| 17 | P | B | -0.5417 | |
| 18 | E | B | -0.7621 | |
| 19 | L | B | 1.3386 | |
| 20 | L | B | 1.2591 | |
| 21 | G | B | 0.3303 | |
| 22 | G | B | 0.0348 | |
| 23 | P | B | 0.0000 | |
| 24 | S | B | -0.0423 | |
| 25 | V | B | 0.0000 | |
| 26 | F | B | 1.4079 | |
| 27 | L | B | 0.9880 | |
| 28 | F | B | 1.1490 | |
| 29 | P | B | -0.1646 | |
| 30 | P | B | 0.0000 | |
| 31 | K | B | -2.1208 | |
| 32 | P | B | -1.4225 | |
| 33 | K | B | -1.3191 | |
| 34 | D | B | -1.4294 | |
| 35 | T | B | 0.0000 | |
| 36 | L | B | 0.0000 | |
| 37 | M | B | 0.1348 | |
| 38 | I | B | 1.1764 | |
| 39 | S | B | -0.0877 | |
| 40 | R | B | -1.4620 | |
| 41 | T | B | -0.9440 | |
| 42 | P | B | 0.0000 | |
| 43 | E | B | -1.3113 | |
| 44 | V | B | 0.0000 | |
| 45 | T | B | 0.2224 | |
| 46 | C | B | 0.0000 | |
| 47 | V | B | 0.0000 | |
| 48 | V | B | 0.0000 | |
| 49 | V | B | 0.0000 | |
| 50 | D | B | -1.2251 | |
| 51 | V | B | 0.0000 | |
| 52 | S | B | -1.8480 | |
| 53 | H | B | -2.5778 | |
| 54 | E | B | -2.9545 | |
| 55 | D | B | -2.5619 | |
| 56 | P | B | -2.7043 | |
| 57 | E | B | -3.1048 | |
| 58 | V | B | -2.0146 | |
| 59 | K | B | -2.2447 | |
| 60 | F | B | -1.1948 | |
| 61 | N | B | -1.1877 | |
| 62 | W | B | 0.0000 | |
| 63 | Y | B | -0.6207 | |
| 64 | V | B | -0.8322 | |
| 65 | D | B | -2.0821 | |
| 66 | G | B | -0.8533 | |
| 67 | V | B | 0.6161 | |
| 68 | E | B | -0.6446 | |
| 69 | V | B | -0.5321 | |
| 70 | H | B | -1.8796 | |
| 71 | N | B | -2.1780 | |
| 72 | A | B | -1.8980 | |
| 73 | K | B | -2.3750 | |
| 74 | T | B | -1.8149 | |
| 75 | K | B | -2.1526 | |
| 76 | P | B | -2.3138 | |
| 77 | R | B | -3.5508 | |
| 78 | E | B | -3.9065 | |
| 79 | E | B | -3.4198 | |
| 80 | Q | B | -1.6094 | |
| 81 | Y | B | 0.4476 | |
| 82 | N | B | -0.5670 | |
| 83 | S | B | -0.9767 | |
| 84 | T | B | -1.9119 | |
| 85 | Y | B | 0.0000 | |
| 86 | R | B | -2.6568 | |
| 87 | V | B | 0.0000 | |
| 88 | V | B | -0.8800 | |
| 89 | S | B | 0.0000 | |
| 90 | V | B | 0.0000 | |
| 91 | L | B | 0.0000 | |
| 92 | T | B | -0.7453 | |
| 93 | V | B | 0.0000 | |
| 94 | L | B | 0.5811 | |
| 95 | H | B | 0.0000 | |
| 96 | Q | B | -1.1843 | |
| 97 | D | B | -1.4825 | |
| 98 | W | B | 0.0000 | |
| 99 | L | B | -0.9975 | |
| 100 | N | B | -2.1243 | |
| 101 | G | B | -2.1667 | |
| 102 | K | B | -2.2171 | |
| 103 | E | B | -2.0853 | |
| 104 | Y | B | 0.0000 | |
| 105 | K | B | -1.6801 | |
| 106 | C | B | 0.0000 | |
| 107 | K | B | -1.6097 | |
| 108 | V | B | 0.0000 | |
| 109 | S | B | -1.4881 | |
| 110 | N | B | 0.0000 | |
| 111 | K | B | -2.5303 | |
| 112 | A | B | -1.2138 | |
| 113 | L | B | -0.5480 | |
| 114 | P | B | -0.4708 | |
| 115 | A | B | -0.4339 | |
| 116 | P | B | -0.9060 | |
| 117 | I | B | -0.6276 | |
| 118 | E | B | -2.0488 | |
| 119 | K | B | -1.1973 | |
| 120 | T | B | -0.9778 | |
| 121 | I | B | -0.2015 | |
| 122 | S | B | -1.1366 | |
| 123 | K | B | -1.2782 | |
| 124 | A | B | -1.1622 | |
| 125 | K | B | -2.3606 | |
| 126 | G | B | -1.9588 | |
| 127 | Q | B | -2.0879 | |
| 128 | P | B | -1.7058 | |
| 129 | R | B | -1.9194 | |
| 130 | E | B | -2.5685 | |
| 131 | P | B | 0.0000 | |
| 132 | Q | B | -1.2898 | |
| 133 | V | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | T | B | -0.8184 | |
| 136 | L | B | 0.0000 | |
| 137 | P | B | -0.3934 | |
| 138 | P | B | -0.8624 | |
| 139 | S | B | 0.0000 | |
| 140 | R | B | -2.6598 | |
| 141 | D | B | -2.8178 | |
| 142 | E | B | 0.0000 | |
| 143 | L | B | -1.8190 | |
| 144 | T | B | -1.6016 | |
| 145 | K | B | -2.1849 | |
| 146 | N | B | -2.4136 | |
| 147 | Q | B | -2.1559 | |
| 148 | V | B | 0.0000 | |
| 149 | S | B | 0.0000 | |
| 150 | L | B | 0.0000 | |
| 151 | T | B | 0.0000 | |
| 152 | C | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | V | B | 0.0000 | |
| 155 | K | B | -0.4541 | |
| 156 | G | B | -0.9292 | |
| 157 | F | B | 0.0000 | |
| 158 | Y | B | -0.9470 | |
| 159 | P | B | 0.0000 | |
| 160 | S | B | -0.1158 | |
| 161 | D | B | -1.0307 | |
| 162 | I | B | 0.0000 | |
| 163 | A | B | 0.0000 | |
| 164 | V | B | 0.0000 | |
| 165 | E | B | -1.1311 | |
| 166 | W | B | 0.0000 | |
| 167 | E | B | -1.6900 | |
| 168 | S | B | 0.0000 | |
| 169 | N | B | -1.8642 | |
| 170 | G | B | -1.7501 | |
| 171 | Q | B | -2.2388 | |
| 172 | P | B | -1.8539 | |
| 173 | E | B | 0.0000 | |
| 174 | N | B | -2.0157 | |
| 175 | N | B | -1.4376 | |
| 176 | Y | B | -1.0101 | |
| 177 | K | B | -0.8625 | |
| 178 | T | B | -0.2995 | |
| 179 | T | B | 0.0000 | |
| 180 | P | B | -0.0616 | |
| 181 | P | B | 0.2104 | |
| 182 | V | B | 0.6635 | |
| 183 | L | B | 1.0537 | |
| 184 | D | B | -0.4221 | |
| 185 | S | B | -1.1416 | |
| 186 | D | B | -1.8506 | |
| 187 | G | B | -0.8037 | |
| 188 | S | B | 0.0000 | |
| 189 | F | B | 0.3084 | |
| 190 | F | B | 0.0000 | |
| 191 | L | B | 0.0000 | |
| 192 | Y | B | 0.0000 | |
| 193 | S | B | 0.0000 | |
| 194 | K | B | 0.0000 | |
| 195 | L | B | 0.0000 | |
| 196 | T | B | -0.8286 | |
| 197 | V | B | 0.0000 | |
| 198 | D | B | -2.2002 | |
| 199 | K | B | -2.3981 | |
| 200 | S | B | -2.1227 | |
| 201 | R | B | -1.9317 | |
| 202 | W | B | 0.0000 | |
| 203 | Q | B | -2.3031 | |
| 204 | Q | B | -2.1523 | |
| 205 | G | B | -1.2874 | |
| 206 | N | B | -0.9008 | |
| 207 | V | B | 0.0634 | |
| 208 | F | B | 0.0000 | |
| 209 | S | B | -0.9681 | |
| 210 | C | B | 0.0000 | |
| 211 | S | B | 0.0000 | |
| 212 | V | B | 0.0000 | |
| 213 | M | B | 0.0000 | |
| 214 | H | B | 0.0000 | |
| 215 | E | B | -1.1127 | |
| 216 | A | B | -1.5358 | |
| 217 | L | B | 0.0000 | |
| 218 | H | B | -1.8474 | |
| 219 | N | B | -1.5261 | |
| 220 | H | B | -1.0496 | |
| 221 | Y | B | -0.5467 | |
| 222 | T | B | -0.7786 | |
| 223 | Q | B | -1.0970 | |
| 224 | K | B | -1.1595 | |
| 225 | S | B | -0.5968 | |
| 226 | L | B | 0.0000 | |
| 227 | S | B | -0.2047 | |
| 228 | L | B | -0.3629 | |
| 229 | S | B | -0.7032 | |
| 230 | P | B | -0.9581 | |
| 231 | G | B | -1.4205 | |
| 232 | K | B | -2.2257 |
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