| Chain sequence(s) |
A: LLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG
B: LLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG 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] (00:00:01)
[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] 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 |
|---|---|---|---|---|
| 10 | L | A | 2.5198 | |
| 11 | L | A | 2.4628 | |
| 12 | G | A | 0.4961 | |
| 13 | G | A | 0.2238 | |
| 14 | P | A | 0.0000 | |
| 15 | S | A | 0.4684 | |
| 16 | V | A | 0.0000 | |
| 17 | F | A | 1.8961 | |
| 18 | L | A | 1.3572 | |
| 19 | F | A | 1.6021 | |
| 20 | P | A | -0.0416 | |
| 21 | P | A | 0.0000 | |
| 22 | K | A | -1.9824 | |
| 23 | P | A | -1.2403 | |
| 24 | K | A | -0.8489 | |
| 25 | D | A | -1.0012 | |
| 26 | T | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | M | A | 0.6851 | |
| 29 | I | A | 1.5809 | |
| 30 | S | A | 0.3908 | |
| 31 | R | A | -0.5084 | |
| 32 | T | A | -0.4096 | |
| 33 | P | A | 0.0000 | |
| 34 | E | A | -1.0105 | |
| 35 | V | A | 0.0000 | |
| 36 | T | A | 0.4491 | |
| 37 | C | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | V | A | -0.4255 | |
| 41 | D | A | -1.5293 | |
| 42 | V | A | 0.0000 | |
| 43 | S | A | -2.0611 | |
| 44 | H | A | -2.2494 | |
| 45 | E | A | -2.7991 | |
| 46 | D | A | -2.4594 | |
| 47 | P | A | -2.5691 | |
| 48 | E | A | -3.0595 | |
| 49 | V | A | -2.0158 | |
| 50 | K | A | -2.2270 | |
| 51 | F | A | -1.1376 | |
| 52 | N | A | -1.0506 | |
| 53 | W | A | 0.0000 | |
| 54 | Y | A | -0.4519 | |
| 55 | V | A | -0.7465 | |
| 56 | D | A | -2.0417 | |
| 57 | G | A | -0.7880 | |
| 58 | V | A | 0.7300 | |
| 59 | E | A | -0.4090 | |
| 60 | V | A | -0.3463 | |
| 61 | H | A | -1.7913 | |
| 62 | N | A | -2.1026 | |
| 63 | A | A | -1.8827 | |
| 64 | K | A | -2.5265 | |
| 65 | T | A | -2.2132 | |
| 66 | K | A | -2.8938 | |
| 67 | P | A | -2.6233 | |
| 68 | R | A | -3.5948 | |
| 69 | E | A | -3.4758 | |
| 70 | E | A | -3.3089 | |
| 71 | Q | A | -1.8667 | |
| 72 | Y | A | -0.1172 | |
| 73 | N | A | -1.2790 | |
| 74 | S | A | -1.2575 | |
| 75 | T | A | -1.7545 | |
| 76 | Y | A | -2.4708 | |
| 77 | R | A | -2.2918 | |
| 78 | V | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | V | A | -0.8942 | |
| 82 | L | A | 0.0000 | |
| 83 | T | A | -0.5770 | |
| 84 | V | A | 0.0000 | |
| 85 | L | A | 0.9369 | |
| 86 | H | A | 0.0135 | |
| 87 | Q | A | -1.0698 | |
| 88 | D | A | -1.2241 | |
| 89 | W | A | 0.0000 | |
| 90 | L | A | -0.9804 | |
| 91 | N | A | -2.0230 | |
| 92 | G | A | -2.0477 | |
| 93 | K | A | -2.0081 | |
| 94 | E | A | -1.9333 | |
| 95 | Y | A | 0.0000 | |
| 96 | K | A | -1.5374 | |
| 97 | C | A | 0.0000 | |
| 98 | K | A | -1.4102 | |
| 99 | V | A | 0.0000 | |
| 100 | S | A | -1.3771 | |
| 101 | N | A | 0.0000 | |
| 102 | K | A | -2.5410 | |
| 103 | A | A | -1.2389 | |
| 104 | L | A | -0.3252 | |
| 105 | P | A | -0.2671 | |
| 106 | A | A | -0.3687 | |
| 107 | P | A | -0.7685 | |
| 108 | I | A | -0.5807 | |
| 109 | E | A | -1.6387 | |
| 110 | K | A | -1.0840 | |
| 111 | T | A | -0.8744 | |
| 112 | I | A | -0.1678 | |
| 113 | S | A | -1.0397 | |
| 114 | K | A | -1.2302 | |
| 115 | A | A | -1.1676 | |
| 116 | K | A | -2.3550 | |
| 117 | G | A | -1.9765 | |
| 118 | Q | A | -2.1308 | |
| 119 | P | A | -1.7725 | |
| 120 | R | A | -2.0406 | |
| 121 | E | A | -2.6203 | |
| 122 | P | A | 0.0000 | |
| 123 | Q | A | -1.1859 | |
| 124 | V | A | 0.0000 | |
| 125 | Y | A | 0.0000 | |
| 126 | T | A | -0.7258 | |
| 127 | L | A | 0.0000 | |
| 128 | P | A | -0.2968 | |
| 129 | P | A | -0.7044 | |
| 130 | S | A | -1.3624 | |
| 131 | R | A | -2.4284 | |
| 132 | D | A | -2.4002 | |
| 133 | E | A | 0.0000 | |
| 134 | L | A | -1.4366 | |
| 135 | T | A | -1.3580 | |
| 136 | K | A | -2.0476 | |
| 137 | N | A | -2.4473 | |
| 138 | Q | A | -2.3131 | |
| 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 | -0.4393 | |
| 147 | G | A | -0.9201 | |
| 148 | F | A | 0.0000 | |
| 149 | Y | A | -0.9642 | |
| 150 | P | A | 0.0000 | |
| 151 | S | A | -0.0650 | |
| 152 | D | A | -0.9326 | |
| 153 | I | A | -0.4669 | |
| 154 | A | A | -0.4208 | |
| 155 | V | A | 0.0000 | |
| 156 | E | A | -1.0441 | |
| 157 | W | A | 0.0000 | |
| 158 | E | A | -1.7670 | |
| 159 | S | A | 0.0000 | |
| 160 | N | A | -1.8693 | |
| 161 | G | A | -1.7707 | |
| 162 | Q | A | -2.3021 | |
| 163 | P | A | -1.9758 | |
| 164 | E | A | -1.8910 | |
| 165 | N | A | -2.1437 | |
| 166 | N | A | -1.5819 | |
| 167 | Y | A | -0.9994 | |
| 168 | K | A | -0.7620 | |
| 169 | T | A | -0.2347 | |
| 170 | T | A | 0.0000 | |
| 171 | P | A | -0.1157 | |
| 172 | P | A | 0.2246 | |
| 173 | V | A | 0.6892 | |
| 174 | L | A | 1.1073 | |
| 175 | D | A | -0.3060 | |
| 176 | S | A | -1.0627 | |
| 177 | D | A | -1.8259 | |
| 178 | G | A | -0.7776 | |
| 179 | S | A | 0.0000 | |
| 180 | F | A | 0.3436 | |
| 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 | -0.9614 | |
| 188 | V | A | 0.0000 | |
| 189 | D | A | -2.5603 | |
| 190 | K | A | -2.4165 | |
| 191 | S | A | -2.1485 | |
| 192 | R | A | -1.9137 | |
| 193 | W | A | 0.0000 | |
| 194 | Q | A | -2.1530 | |
| 195 | Q | A | -2.0044 | |
| 196 | G | A | -1.0538 | |
| 197 | N | A | -0.7449 | |
| 198 | V | A | 0.2859 | |
| 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 | -1.0006 | |
| 207 | A | A | -1.5237 | |
| 208 | L | A | 0.0000 | |
| 209 | H | A | -1.7450 | |
| 210 | N | A | -1.3776 | |
| 211 | H | A | -0.8103 | |
| 212 | Y | A | -0.0678 | |
| 213 | T | A | -0.4780 | |
| 214 | Q | A | -0.8066 | |
| 215 | K | A | -0.9849 | |
| 216 | S | A | -0.4734 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | 0.0707 | |
| 219 | L | A | 0.0998 | |
| 220 | S | A | -0.2359 | |
| 221 | P | A | -0.4047 | |
| 222 | G | A | -0.5147 | |
| 10 | L | B | 2.4086 | |
| 11 | L | B | 2.6562 | |
| 12 | G | B | 1.2517 | |
| 13 | G | B | 0.4023 | |
| 14 | P | B | 0.0000 | |
| 15 | S | B | 0.2422 | |
| 16 | V | B | 0.0000 | |
| 17 | F | B | 1.9006 | |
| 18 | L | B | 1.3643 | |
| 19 | F | B | 1.6024 | |
| 20 | P | B | 0.0082 | |
| 21 | P | B | 0.0000 | |
| 22 | K | B | -1.9983 | |
| 23 | P | B | -1.2640 | |
| 24 | K | B | -0.8620 | |
| 25 | D | B | -1.0048 | |
| 26 | T | B | 0.0000 | |
| 27 | L | B | 0.0000 | |
| 28 | M | B | 0.6843 | |
| 29 | I | B | 1.5816 | |
| 30 | S | B | 0.3953 | |
| 31 | R | B | -0.4983 | |
| 32 | T | B | -0.4082 | |
| 33 | P | B | 0.0000 | |
| 34 | E | B | -1.0176 | |
| 35 | V | B | 0.0000 | |
| 36 | T | B | 0.4509 | |
| 37 | C | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | V | B | 0.0000 | |
| 40 | V | B | -0.3393 | |
| 41 | D | B | -0.6760 | |
| 42 | V | B | 0.0000 | |
| 43 | S | B | -1.5532 | |
| 44 | H | B | -2.1797 | |
| 45 | E | B | -2.7904 | |
| 46 | D | B | -2.4542 | |
| 47 | P | B | -2.5025 | |
| 48 | E | B | -3.0519 | |
| 49 | V | B | -2.0124 | |
| 50 | K | B | -2.2264 | |
| 51 | F | B | -1.1323 | |
| 52 | N | B | -1.0441 | |
| 53 | W | B | 0.0000 | |
| 54 | Y | B | -0.4447 | |
| 55 | V | B | -0.7351 | |
| 56 | D | B | -2.0272 | |
| 57 | G | B | -0.7813 | |
| 58 | V | B | 0.7338 | |
| 59 | E | B | -0.4036 | |
| 60 | V | B | -0.3420 | |
| 61 | H | B | -1.7879 | |
| 62 | N | B | -2.1017 | |
| 63 | A | B | -1.8810 | |
| 64 | K | B | -2.5260 | |
| 65 | T | B | -2.2110 | |
| 66 | K | B | -2.8866 | |
| 67 | P | B | -2.6142 | |
| 68 | R | B | -3.5322 | |
| 69 | E | B | -3.4367 | |
| 70 | E | B | -3.2318 | |
| 71 | Q | B | -1.7822 | |
| 72 | Y | B | -0.1118 | |
| 73 | N | B | -1.2046 | |
| 74 | S | B | -1.1802 | |
| 75 | T | B | 0.0000 | |
| 76 | Y | B | -2.3072 | |
| 77 | R | B | -2.1598 | |
| 78 | V | B | 0.0000 | |
| 79 | V | B | 0.0000 | |
| 80 | S | B | 0.0000 | |
| 81 | V | B | -0.8899 | |
| 82 | L | B | 0.0000 | |
| 83 | T | B | -0.5779 | |
| 84 | V | B | 0.0000 | |
| 85 | L | B | 0.9370 | |
| 86 | H | B | 0.0155 | |
| 87 | Q | B | -1.0685 | |
| 88 | D | B | -1.2191 | |
| 89 | W | B | 0.0000 | |
| 90 | L | B | -0.9814 | |
| 91 | N | B | -2.0173 | |
| 92 | G | B | -2.0388 | |
| 93 | K | B | -1.9883 | |
| 94 | E | B | -1.8925 | |
| 95 | Y | B | 0.0000 | |
| 96 | K | B | -1.5237 | |
| 97 | C | B | 0.0000 | |
| 98 | K | B | -1.4073 | |
| 99 | V | B | 0.0000 | |
| 100 | S | B | -1.3838 | |
| 101 | N | B | 0.0000 | |
| 102 | K | B | -2.5388 | |
| 103 | A | B | -0.9872 | |
| 104 | L | B | -0.4402 | |
| 105 | P | B | -0.5236 | |
| 106 | A | B | -0.3797 | |
| 107 | P | B | -0.7784 | |
| 108 | I | B | -0.5894 | |
| 109 | E | B | -1.6420 | |
| 110 | K | B | -1.0832 | |
| 111 | T | B | -0.8663 | |
| 112 | I | B | -0.1557 | |
| 113 | S | B | -1.0267 | |
| 114 | K | B | -1.2289 | |
| 115 | A | B | -1.1732 | |
| 116 | K | B | -2.3539 | |
| 117 | G | B | -1.9776 | |
| 118 | Q | B | -2.1334 | |
| 119 | P | B | -1.7761 | |
| 120 | R | B | -2.0493 | |
| 121 | E | B | -2.6239 | |
| 122 | P | B | 0.0000 | |
| 123 | Q | B | -1.1927 | |
| 124 | V | B | 0.0000 | |
| 125 | Y | B | 0.0000 | |
| 126 | T | B | -0.7292 | |
| 127 | L | B | 0.0000 | |
| 128 | P | B | -0.2962 | |
| 129 | P | B | -0.6986 | |
| 130 | S | B | -1.3505 | |
| 131 | R | B | -2.4097 | |
| 132 | D | B | -2.3614 | |
| 133 | E | B | 0.0000 | |
| 134 | L | B | -1.4402 | |
| 135 | T | B | -1.3473 | |
| 136 | K | B | -2.0442 | |
| 137 | N | B | -2.4496 | |
| 138 | Q | B | -2.3149 | |
| 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 | -0.4407 | |
| 147 | G | B | -0.9229 | |
| 148 | F | B | 0.0000 | |
| 149 | Y | B | -0.9757 | |
| 150 | P | B | 0.0000 | |
| 151 | S | B | -0.0917 | |
| 152 | D | B | -0.9415 | |
| 153 | I | B | -0.4836 | |
| 154 | A | B | -0.4263 | |
| 155 | V | B | 0.0000 | |
| 156 | E | B | -1.0545 | |
| 157 | W | B | 0.0000 | |
| 158 | E | B | -1.7682 | |
| 159 | S | B | 0.0000 | |
| 160 | N | B | -1.8695 | |
| 161 | G | B | -1.7705 | |
| 162 | Q | B | -2.3016 | |
| 163 | P | B | -1.9777 | |
| 164 | E | B | -1.8937 | |
| 165 | N | B | -2.1452 | |
| 166 | N | B | -1.5813 | |
| 167 | Y | B | -0.9988 | |
| 168 | K | B | -0.7562 | |
| 169 | T | B | -0.2329 | |
| 170 | T | B | 0.0000 | |
| 171 | P | B | -0.0515 | |
| 172 | P | B | 0.2170 | |
| 173 | V | B | 0.6869 | |
| 174 | L | B | 1.1055 | |
| 175 | D | B | -0.3067 | |
| 176 | S | B | -1.0636 | |
| 177 | D | B | -1.8263 | |
| 178 | G | B | -0.7793 | |
| 179 | S | B | 0.0000 | |
| 180 | F | B | 0.3391 | |
| 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 | -0.9599 | |
| 188 | V | B | 0.0000 | |
| 189 | D | B | -2.5635 | |
| 190 | K | B | -2.4202 | |
| 191 | S | B | -2.0975 | |
| 192 | R | B | -1.9130 | |
| 193 | W | B | 0.0000 | |
| 194 | Q | B | -2.1532 | |
| 195 | Q | B | -2.0062 | |
| 196 | G | B | -1.0569 | |
| 197 | N | B | -0.7496 | |
| 198 | V | B | 0.2803 | |
| 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 | -1.0056 | |
| 207 | A | B | -1.5225 | |
| 208 | L | B | 0.0000 | |
| 209 | H | B | -1.7436 | |
| 210 | N | B | -1.3737 | |
| 211 | H | B | -0.8053 | |
| 212 | Y | B | -0.0656 | |
| 213 | T | B | -0.4760 | |
| 214 | Q | B | -0.8055 | |
| 215 | K | B | -0.9838 | |
| 216 | S | B | -0.4730 | |
| 217 | L | B | 0.0000 | |
| 218 | S | B | 0.0709 | |
| 219 | L | B | 0.1036 | |
| 220 | S | B | -0.2328 | |
| 221 | P | B | -0.4028 | |
| 222 | G | B | -0.5140 |
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