| Chain sequence(s) |
A: GPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSWDERTKEEVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVEASEWWQREWFRCSVMHEALHNHYTQKWLRRSPGK
B: GPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSWDERTKEEVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVEASEWWQREWFRCSVMHEALHNHYTQKWLRRSPGK 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 (00:07:10)
[INFO] Main: Simulation completed successfully. (00:07:12)
|
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 | G | A | -0.6481 | |
| 2 | P | A | 0.0000 | |
| 3 | S | A | -0.0220 | |
| 4 | V | A | 0.0000 | |
| 5 | F | A | 1.2147 | |
| 6 | L | A | 0.8963 | |
| 7 | F | A | 1.1320 | |
| 8 | P | A | -0.1859 | |
| 9 | P | A | 0.0000 | |
| 10 | K | A | -2.0799 | |
| 11 | P | A | -1.4339 | |
| 12 | K | A | -1.2770 | |
| 13 | D | A | 0.0000 | |
| 14 | T | A | 0.0000 | |
| 15 | L | A | 0.0000 | |
| 16 | M | A | 0.2978 | |
| 17 | I | A | 1.3100 | |
| 18 | S | A | 0.1044 | |
| 19 | R | A | -1.0780 | |
| 20 | T | A | -0.7055 | |
| 21 | P | A | 0.0000 | |
| 22 | E | A | -1.0988 | |
| 23 | V | A | 0.0000 | |
| 24 | T | A | 0.2513 | |
| 25 | C | A | 0.0000 | |
| 26 | V | A | 0.7714 | |
| 27 | V | A | 0.0000 | |
| 28 | V | A | -0.6407 | |
| 29 | D | A | -1.5997 | |
| 30 | V | A | 0.0000 | |
| 31 | S | A | -2.0570 | |
| 32 | H | A | -2.6080 | |
| 33 | E | A | -2.9523 | |
| 34 | D | A | -2.5588 | |
| 35 | P | A | -2.7061 | |
| 36 | E | A | -3.0983 | |
| 37 | V | A | -1.9898 | |
| 38 | K | A | -2.2340 | |
| 39 | F | A | -1.1783 | |
| 40 | N | A | -1.1497 | |
| 41 | W | A | 0.0000 | |
| 42 | Y | A | -0.6309 | |
| 43 | V | A | -0.9197 | |
| 44 | D | A | -2.1396 | |
| 45 | G | A | -0.8725 | |
| 46 | V | A | 0.6187 | |
| 47 | E | A | -0.5833 | |
| 48 | V | A | -0.5111 | |
| 49 | H | A | -1.8703 | |
| 50 | N | A | -2.1732 | |
| 51 | A | A | -1.8940 | |
| 52 | K | A | -2.4045 | |
| 53 | T | A | -1.8528 | |
| 54 | K | A | -2.1787 | |
| 55 | P | A | -2.2287 | |
| 56 | R | A | -3.3397 | |
| 57 | E | A | -3.3422 | |
| 58 | E | A | -3.3925 | |
| 59 | Q | A | -1.9717 | |
| 60 | Y | A | -0.0667 | |
| 61 | N | A | -1.0945 | |
| 62 | S | A | -1.2815 | |
| 63 | T | A | -2.0727 | |
| 64 | Y | A | 0.0000 | |
| 65 | R | A | -2.3421 | |
| 66 | V | A | 0.0000 | |
| 67 | V | A | -0.7837 | |
| 68 | S | A | 0.0000 | |
| 69 | V | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | T | A | -0.6897 | |
| 72 | V | A | 0.0000 | |
| 73 | L | A | 0.5897 | |
| 74 | H | A | 0.0000 | |
| 75 | Q | A | -1.1814 | |
| 76 | D | A | -1.5118 | |
| 77 | W | A | 0.0000 | |
| 78 | L | A | -0.9668 | |
| 79 | N | A | -2.1284 | |
| 80 | G | A | -2.1362 | |
| 81 | K | A | -2.3751 | |
| 82 | E | A | -2.5598 | |
| 83 | Y | A | 0.0000 | |
| 84 | K | A | -1.7345 | |
| 85 | C | A | 0.0000 | |
| 86 | K | A | -1.5549 | |
| 87 | V | A | 0.0000 | |
| 88 | S | A | -1.4430 | |
| 89 | N | A | 0.0000 | |
| 90 | K | A | -2.5166 | |
| 91 | A | A | -1.4248 | |
| 92 | L | A | -0.5919 | |
| 93 | P | A | -0.4977 | |
| 94 | A | A | -0.4114 | |
| 95 | P | A | -0.8678 | |
| 96 | I | A | -0.6345 | |
| 97 | E | A | -1.9789 | |
| 98 | K | A | -1.2452 | |
| 99 | T | A | -1.1263 | |
| 100 | I | A | -0.3245 | |
| 101 | S | A | -1.2351 | |
| 102 | K | A | 0.0000 | |
| 103 | A | A | -1.0598 | |
| 104 | K | A | -2.2987 | |
| 105 | G | A | -1.9307 | |
| 106 | Q | A | -2.1006 | |
| 107 | P | A | -1.7054 | |
| 108 | R | A | -1.9401 | |
| 109 | E | A | -2.5358 | |
| 110 | P | A | 0.0000 | |
| 111 | Q | A | -1.2049 | |
| 112 | V | A | 0.0000 | |
| 113 | Y | A | 0.0000 | |
| 114 | T | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | P | A | -0.2599 | |
| 117 | P | A | -0.6758 | |
| 118 | S | A | 0.0000 | |
| 119 | W | A | -0.6669 | |
| 120 | D | A | -1.8811 | |
| 121 | E | A | 0.0000 | |
| 122 | R | A | -2.7334 | |
| 123 | T | A | -2.0497 | |
| 124 | K | A | -2.9776 | |
| 125 | E | A | -3.6460 | |
| 126 | E | A | -3.7626 | |
| 127 | V | A | 0.0000 | |
| 128 | S | A | 0.0000 | |
| 129 | L | A | 0.0000 | |
| 130 | T | A | 0.0000 | |
| 131 | C | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | K | A | -0.4588 | |
| 135 | G | A | -0.9394 | |
| 136 | F | A | 0.0000 | |
| 137 | Y | A | -0.9843 | |
| 138 | P | A | 0.0000 | |
| 139 | S | A | -0.1188 | |
| 140 | D | A | -1.0683 | |
| 141 | I | A | 0.0000 | |
| 142 | A | A | -0.6911 | |
| 143 | V | A | 0.0000 | |
| 144 | E | A | -1.1552 | |
| 145 | W | A | 0.0000 | |
| 146 | E | A | 0.0000 | |
| 147 | S | A | -1.3857 | |
| 148 | N | A | -1.9227 | |
| 149 | G | A | -1.7127 | |
| 150 | Q | A | -2.2090 | |
| 151 | P | A | -1.8541 | |
| 152 | E | A | -1.8879 | |
| 153 | N | A | -2.0741 | |
| 154 | N | A | -1.4993 | |
| 155 | Y | A | -0.9787 | |
| 156 | K | A | -0.6731 | |
| 157 | T | A | -0.2128 | |
| 158 | T | A | 0.0000 | |
| 159 | P | A | -0.1180 | |
| 160 | P | A | 0.1834 | |
| 161 | V | A | 0.6157 | |
| 162 | L | A | 0.9763 | |
| 163 | D | A | -0.4072 | |
| 164 | S | A | -1.1012 | |
| 165 | D | A | -1.8451 | |
| 166 | G | A | -0.7922 | |
| 167 | S | A | 0.0000 | |
| 168 | F | A | 0.2658 | |
| 169 | F | A | 0.0000 | |
| 170 | L | A | 0.0000 | |
| 171 | Y | A | 0.0000 | |
| 172 | S | A | 0.0000 | |
| 173 | K | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | T | A | -1.2057 | |
| 176 | V | A | 0.0000 | |
| 177 | E | A | -3.3919 | |
| 178 | A | A | -2.9813 | |
| 179 | S | A | -2.3014 | |
| 180 | E | A | -2.7669 | |
| 181 | W | A | 0.0000 | |
| 182 | W | A | -1.8780 | |
| 183 | Q | A | -2.5289 | |
| 184 | R | A | -3.0349 | |
| 185 | E | A | -2.2130 | |
| 186 | W | A | -0.9144 | |
| 187 | F | A | 0.0000 | |
| 188 | R | A | -0.9200 | |
| 189 | C | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | V | A | 0.0000 | |
| 192 | M | A | 0.0000 | |
| 193 | H | A | 0.0000 | |
| 194 | E | A | -1.0903 | |
| 195 | A | A | -1.4705 | |
| 196 | L | A | -1.3951 | |
| 197 | H | A | -1.7540 | |
| 198 | N | A | -1.4558 | |
| 199 | H | A | -0.9634 | |
| 200 | Y | A | -0.4276 | |
| 201 | T | A | -0.6403 | |
| 202 | Q | A | -0.7981 | |
| 203 | K | A | -0.7061 | |
| 204 | W | A | 0.0456 | |
| 205 | L | A | 0.0000 | |
| 206 | R | A | -1.3040 | |
| 207 | R | A | -1.8138 | |
| 208 | S | A | -1.4633 | |
| 209 | P | A | -1.5602 | |
| 210 | G | A | -1.5898 | |
| 211 | K | A | -2.2519 | |
| 1 | G | B | -0.6518 | |
| 2 | P | B | 0.0000 | |
| 3 | S | B | -0.1042 | |
| 4 | V | B | 0.0000 | |
| 5 | F | B | 0.8491 | |
| 6 | L | B | 0.0000 | |
| 7 | F | B | 0.9860 | |
| 8 | P | B | -0.2120 | |
| 9 | P | B | 0.0000 | |
| 10 | K | B | -2.0918 | |
| 11 | P | B | -1.4934 | |
| 12 | K | B | -1.2920 | |
| 13 | D | B | -1.2303 | |
| 14 | T | B | 0.0000 | |
| 15 | L | B | 0.0000 | |
| 16 | M | B | 0.2518 | |
| 17 | I | B | 1.2637 | |
| 18 | S | B | 0.1087 | |
| 19 | R | B | -1.0237 | |
| 20 | T | B | -0.6827 | |
| 21 | P | B | 0.0000 | |
| 22 | E | B | -0.8508 | |
| 23 | V | B | 0.0000 | |
| 24 | T | B | 0.2013 | |
| 25 | C | B | 0.0000 | |
| 26 | V | B | 0.0000 | |
| 27 | V | B | 0.0000 | |
| 28 | V | B | -0.9261 | |
| 29 | D | B | -1.6868 | |
| 30 | V | B | 0.0000 | |
| 31 | S | B | -2.1157 | |
| 32 | H | B | -2.6349 | |
| 33 | E | B | -2.9936 | |
| 34 | D | B | -2.6418 | |
| 35 | P | B | -2.7525 | |
| 36 | E | B | -3.1100 | |
| 37 | V | B | -2.0371 | |
| 38 | K | B | -2.2278 | |
| 39 | F | B | -1.1625 | |
| 40 | N | B | -1.3059 | |
| 41 | W | B | 0.0000 | |
| 42 | Y | B | -1.0660 | |
| 43 | V | B | -1.2231 | |
| 44 | D | B | -2.4530 | |
| 45 | G | B | -1.1873 | |
| 46 | V | B | 0.1440 | |
| 47 | E | B | -1.4583 | |
| 48 | V | B | -0.8430 | |
| 49 | H | B | -2.0156 | |
| 50 | N | B | -2.2149 | |
| 51 | A | B | -1.7858 | |
| 52 | K | B | -2.3722 | |
| 53 | T | B | -1.8618 | |
| 54 | K | B | -2.1063 | |
| 55 | P | B | -2.0823 | |
| 56 | R | B | -3.0130 | |
| 57 | E | B | -2.8480 | |
| 58 | E | B | -3.2128 | |
| 59 | Q | B | -2.0144 | |
| 60 | Y | B | -0.0910 | |
| 61 | N | B | -1.1682 | |
| 62 | S | B | -1.3595 | |
| 63 | T | B | -2.0845 | |
| 64 | Y | B | 0.0000 | |
| 65 | R | B | -2.4196 | |
| 66 | V | B | 0.0000 | |
| 67 | V | B | 0.0000 | |
| 68 | S | B | 0.0000 | |
| 69 | V | B | -0.7785 | |
| 70 | L | B | 0.0000 | |
| 71 | T | B | -0.5658 | |
| 72 | V | B | 0.0000 | |
| 73 | L | B | 0.4408 | |
| 74 | H | B | -0.2901 | |
| 75 | Q | B | -1.2787 | |
| 76 | D | B | -1.5988 | |
| 77 | W | B | 0.0000 | |
| 78 | L | B | -1.1869 | |
| 79 | N | B | -2.1468 | |
| 80 | G | B | -2.1320 | |
| 81 | K | B | -2.4082 | |
| 82 | E | B | -2.5745 | |
| 83 | Y | B | 0.0000 | |
| 84 | K | B | -1.9446 | |
| 85 | C | B | 0.0000 | |
| 86 | K | B | -1.5175 | |
| 87 | V | B | 0.0000 | |
| 88 | S | B | -1.4217 | |
| 89 | N | B | 0.0000 | |
| 90 | K | B | -2.5406 | |
| 91 | A | B | -1.4481 | |
| 92 | L | B | -0.5760 | |
| 93 | P | B | -0.4789 | |
| 94 | A | B | -0.3838 | |
| 95 | P | B | -0.8041 | |
| 96 | I | B | -0.5546 | |
| 97 | E | B | -2.0261 | |
| 98 | K | B | -1.3150 | |
| 99 | T | B | -1.1900 | |
| 100 | I | B | -0.3515 | |
| 101 | S | B | -1.2392 | |
| 102 | K | B | 0.0000 | |
| 103 | A | B | -1.0824 | |
| 104 | K | B | -2.2792 | |
| 105 | G | B | -1.9323 | |
| 106 | Q | B | -2.1053 | |
| 107 | P | B | -1.6937 | |
| 108 | R | B | -1.9821 | |
| 109 | E | B | -2.5809 | |
| 110 | P | B | 0.0000 | |
| 111 | Q | B | -1.3498 | |
| 112 | V | B | 0.0000 | |
| 113 | Y | B | 0.0000 | |
| 114 | T | B | 0.0000 | |
| 115 | L | B | 0.0000 | |
| 116 | P | B | -0.1824 | |
| 117 | P | B | -0.5052 | |
| 118 | S | B | 0.0000 | |
| 119 | W | B | -0.1122 | |
| 120 | D | B | -1.5856 | |
| 121 | E | B | 0.0000 | |
| 122 | R | B | -2.4636 | |
| 123 | T | B | -1.9536 | |
| 124 | K | B | -2.9301 | |
| 125 | E | B | -3.5741 | |
| 126 | E | B | -3.5911 | |
| 127 | V | B | 0.0000 | |
| 128 | S | B | 0.0000 | |
| 129 | L | B | 0.0000 | |
| 130 | T | B | 0.0000 | |
| 131 | C | B | 0.0000 | |
| 132 | L | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | K | B | -0.5345 | |
| 135 | G | B | -1.0129 | |
| 136 | F | B | 0.0000 | |
| 137 | Y | B | -1.0371 | |
| 138 | P | B | 0.0000 | |
| 139 | S | B | -0.2032 | |
| 140 | D | B | -1.1890 | |
| 141 | I | B | 0.0000 | |
| 142 | A | B | 0.0000 | |
| 143 | V | B | 0.0000 | |
| 144 | E | B | -1.4534 | |
| 145 | W | B | 0.0000 | |
| 146 | E | B | -1.6629 | |
| 147 | S | B | -1.4422 | |
| 148 | N | B | -1.9465 | |
| 149 | G | B | -1.7692 | |
| 150 | Q | B | -2.2816 | |
| 151 | P | B | -1.9904 | |
| 152 | E | B | -2.0184 | |
| 153 | N | B | -2.1744 | |
| 154 | N | B | -1.5356 | |
| 155 | Y | B | -1.1197 | |
| 156 | K | B | -0.9288 | |
| 157 | T | B | -0.3545 | |
| 158 | T | B | 0.0000 | |
| 159 | P | B | -0.1713 | |
| 160 | P | B | 0.1393 | |
| 161 | V | B | 0.6144 | |
| 162 | L | B | 0.9054 | |
| 163 | D | B | -0.3986 | |
| 164 | S | B | -1.0882 | |
| 165 | D | B | -1.8653 | |
| 166 | G | B | -0.8284 | |
| 167 | S | B | 0.0000 | |
| 168 | F | B | 0.1889 | |
| 169 | F | B | 0.0000 | |
| 170 | L | B | 0.0000 | |
| 171 | Y | B | 0.0000 | |
| 172 | S | B | 0.0000 | |
| 173 | K | B | 0.0000 | |
| 174 | L | B | 0.0000 | |
| 175 | T | B | -1.1953 | |
| 176 | V | B | 0.0000 | |
| 177 | E | B | -3.2040 | |
| 178 | A | B | -2.7113 | |
| 179 | S | B | -1.9856 | |
| 180 | E | B | -2.4414 | |
| 181 | W | B | 0.0000 | |
| 182 | W | B | -1.1689 | |
| 183 | Q | B | -2.1178 | |
| 184 | R | B | -2.7113 | |
| 185 | E | B | -1.9595 | |
| 186 | W | B | -0.8686 | |
| 187 | F | B | 0.0000 | |
| 188 | R | B | -0.9306 | |
| 189 | C | B | 0.0000 | |
| 190 | S | B | 0.0000 | |
| 191 | V | B | 0.0000 | |
| 192 | M | B | 0.0000 | |
| 193 | H | B | 0.0000 | |
| 194 | E | B | -1.1136 | |
| 195 | A | B | -1.4864 | |
| 196 | L | B | -1.4374 | |
| 197 | H | B | -1.7745 | |
| 198 | N | B | -1.4628 | |
| 199 | H | B | -0.9785 | |
| 200 | Y | B | -0.5009 | |
| 201 | T | B | -0.6623 | |
| 202 | Q | B | -0.7593 | |
| 203 | K | B | -0.5372 | |
| 204 | W | B | 0.1832 | |
| 205 | L | B | 0.0000 | |
| 206 | R | B | -1.1896 | |
| 207 | R | B | -1.6392 | |
| 208 | S | B | -1.2864 | |
| 209 | P | B | -1.4027 | |
| 210 | G | B | -1.5642 | |
| 211 | K | B | -2.2502 |
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