| Chain sequence(s) |
A: APWKAPGPDDVRGPCPMLNTLANHGFLPHDGKNIDVNTTVNALSSALNLDDELSRDLHTFAVTTNPQPNATWFSLNHLSRHNVLEHDASLSRQDAYFGPPDVFNAAVFNETKAYWTGDIINFQMAANALTARLMTSNLTNPEFSMSQLGRGFGLGETVCYVTILGSKETRTVPKAFVEYLFENERLPYELGFKKMKSALTEDELTTMMGEIYSLQHLPESFT
B: PWKAPGPDDVRGPCPMLNTLANHGFLPHDGKNIDVNTTVNALSSALNLDDELSRDLHTFAVTTNPQPNATWFSLNHLSRHNVLEHDASLSRQDAYFGPPDVFNAAVFNETKAYWTGDIINFQMAANALTARLMTSNLTNPEFSMSQLGRGFGLGETVCYVTILGSKETRTVPKAFVEYLFENERLPYELGFKKMKSALTEDELTTMMGEIYSLQHLPESFTKP input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | TS224B |
| Energy difference between WT (input) and mutated protein (by FoldX) | 1.17752 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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] FoldX: Building mutant model (00:05:32)
[INFO] FoldX: Starting FoldX energy minimalization (00:05:49)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:01)
[INFO] Main: Simulation completed successfully. (00:08:04)
|
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 | |
| 3 | A | A | -0.3822 | |
| 4 | P | A | -0.4983 | |
| 5 | W | A | -0.7696 | |
| 6 | K | A | -1.7661 | |
| 7 | A | A | -1.0180 | |
| 8 | P | A | -1.2271 | |
| 9 | G | A | -1.3491 | |
| 10 | P | A | -1.3931 | |
| 11 | D | A | -2.3580 | |
| 12 | D | A | -1.9205 | |
| 13 | V | A | -1.2184 | |
| 14 | R | A | -0.7017 | |
| 15 | G | A | 0.0000 | |
| 16 | P | A | -0.0371 | |
| 17 | C | A | 0.1127 | |
| 18 | P | A | -0.0613 | |
| 19 | M | A | 0.1606 | |
| 20 | L | A | 0.2938 | |
| 21 | N | A | 0.0000 | |
| 22 | T | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | A | A | 0.0000 | |
| 25 | N | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | G | A | -0.6571 | |
| 28 | F | A | 0.1484 | |
| 29 | L | A | 0.0000 | |
| 30 | P | A | -0.6993 | |
| 31 | H | A | -1.1372 | |
| 32 | D | A | -1.8199 | |
| 33 | G | A | 0.0000 | |
| 34 | K | A | -1.6166 | |
| 35 | N | A | -0.9926 | |
| 36 | I | A | 0.0000 | |
| 37 | D | A | 0.0000 | |
| 38 | V | A | 0.2192 | |
| 39 | N | A | 0.0000 | |
| 40 | T | A | 0.0000 | |
| 41 | T | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | N | A | 0.0000 | |
| 44 | A | A | 0.0000 | |
| 45 | L | A | 0.0000 | |
| 46 | S | A | -0.2524 | |
| 47 | S | A | -0.3901 | |
| 48 | A | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | N | A | -0.8183 | |
| 51 | L | A | 0.0000 | |
| 52 | D | A | -1.3072 | |
| 53 | D | A | 0.0000 | |
| 54 | E | A | -2.8683 | |
| 55 | L | A | 0.0000 | |
| 56 | S | A | 0.0000 | |
| 57 | R | A | -2.1972 | |
| 58 | D | A | -2.2037 | |
| 59 | L | A | -0.4030 | |
| 60 | H | A | 0.0000 | |
| 61 | T | A | -0.1614 | |
| 62 | F | A | 0.7359 | |
| 63 | A | A | 0.0000 | |
| 64 | V | A | 0.2481 | |
| 65 | T | A | 0.0897 | |
| 66 | T | A | 0.0000 | |
| 67 | N | A | 0.0000 | |
| 68 | P | A | -0.7659 | |
| 69 | Q | A | -1.2111 | |
| 70 | P | A | -1.1936 | |
| 71 | N | A | -1.5376 | |
| 72 | A | A | 0.0000 | |
| 73 | T | A | -0.4416 | |
| 74 | W | A | -0.2780 | |
| 75 | F | A | 0.0000 | |
| 76 | S | A | 0.0000 | |
| 77 | L | A | 0.0000 | |
| 78 | N | A | -1.3128 | |
| 79 | H | A | -0.8985 | |
| 80 | L | A | 0.0000 | |
| 81 | S | A | -1.1070 | |
| 82 | R | A | -1.8697 | |
| 83 | H | A | -1.3921 | |
| 84 | N | A | -1.1622 | |
| 85 | V | A | 0.1600 | |
| 86 | L | A | 0.3759 | |
| 87 | E | A | 0.0000 | |
| 88 | H | A | 0.0000 | |
| 89 | D | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | S | A | -0.2648 | |
| 92 | L | A | 0.0000 | |
| 93 | S | A | 0.0000 | |
| 94 | R | A | 0.0000 | |
| 95 | Q | A | 0.2542 | |
| 96 | D | A | 0.0000 | |
| 97 | A | A | -0.0142 | |
| 98 | Y | A | 1.0645 | |
| 99 | F | A | 1.2134 | |
| 100 | G | A | 0.6118 | |
| 101 | P | A | 0.0202 | |
| 102 | P | A | -0.0770 | |
| 103 | D | A | -0.2480 | |
| 104 | V | A | 1.4452 | |
| 105 | F | A | 0.5123 | |
| 106 | N | A | -0.2013 | |
| 107 | A | A | -0.4630 | |
| 108 | A | A | -0.4477 | |
| 109 | V | A | -0.5409 | |
| 110 | F | A | 0.0000 | |
| 111 | N | A | -1.5479 | |
| 112 | E | A | -1.0587 | |
| 113 | T | A | 0.0000 | |
| 114 | K | A | -1.3285 | |
| 115 | A | A | -0.6796 | |
| 116 | Y | A | -0.3332 | |
| 117 | W | A | 0.0000 | |
| 118 | T | A | -0.4264 | |
| 119 | G | A | -0.7897 | |
| 120 | D | A | -1.5465 | |
| 121 | I | A | -0.1642 | |
| 122 | I | A | 0.0000 | |
| 123 | N | A | -0.9633 | |
| 124 | F | A | 0.0000 | |
| 125 | Q | A | -0.8508 | |
| 126 | M | A | -0.4915 | |
| 127 | A | A | 0.0000 | |
| 128 | A | A | 0.0000 | |
| 129 | N | A | -0.9092 | |
| 130 | A | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | T | A | -0.1452 | |
| 133 | A | A | -0.3097 | |
| 134 | R | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | M | A | 0.4029 | |
| 137 | T | A | 0.3319 | |
| 138 | S | A | 0.0000 | |
| 139 | N | A | -0.1771 | |
| 140 | L | A | 1.1791 | |
| 141 | T | A | 0.3355 | |
| 142 | N | A | 0.0000 | |
| 143 | P | A | -0.7637 | |
| 144 | E | A | -1.5437 | |
| 145 | F | A | -0.4714 | |
| 146 | S | A | -0.8540 | |
| 147 | M | A | -0.2059 | |
| 148 | S | A | -0.3842 | |
| 149 | Q | A | -0.5014 | |
| 150 | L | A | 0.9501 | |
| 151 | G | A | 0.0000 | |
| 152 | R | A | 0.0000 | |
| 153 | G | A | 0.1541 | |
| 154 | F | A | 0.0851 | |
| 155 | G | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | G | A | -0.6717 | |
| 158 | E | A | -1.3594 | |
| 159 | T | A | 0.0000 | |
| 160 | V | A | 0.0000 | |
| 161 | C | A | -0.3569 | |
| 162 | Y | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | T | A | 0.0000 | |
| 165 | I | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | G | A | -0.7268 | |
| 168 | S | A | -1.1820 | |
| 169 | K | A | 0.0000 | |
| 170 | E | A | -2.0787 | |
| 171 | T | A | -1.3633 | |
| 172 | R | A | -1.4531 | |
| 173 | T | A | -0.7746 | |
| 174 | V | A | 0.0000 | |
| 175 | P | A | -0.3470 | |
| 176 | K | A | -0.9100 | |
| 177 | A | A | -0.2428 | |
| 178 | F | A | -0.1735 | |
| 179 | V | A | 0.0000 | |
| 180 | E | A | -1.2735 | |
| 181 | Y | A | -1.0153 | |
| 182 | L | A | 0.0000 | |
| 183 | F | A | 0.0000 | |
| 184 | E | A | -2.2714 | |
| 185 | N | A | -1.6538 | |
| 186 | E | A | -1.0834 | |
| 187 | R | A | -1.2864 | |
| 188 | L | A | 0.0000 | |
| 189 | P | A | 0.0000 | |
| 190 | Y | A | -0.8739 | |
| 191 | E | A | -1.5442 | |
| 192 | L | A | -0.2400 | |
| 193 | G | A | -0.8830 | |
| 194 | F | A | 0.0000 | |
| 195 | K | A | -2.3221 | |
| 196 | K | A | -1.8177 | |
| 197 | M | A | -1.5324 | |
| 198 | K | A | -2.1249 | |
| 199 | S | A | -1.2934 | |
| 200 | A | A | -0.8671 | |
| 201 | L | A | 0.0000 | |
| 202 | T | A | -1.6884 | |
| 203 | E | A | -2.5604 | |
| 204 | D | A | -2.4952 | |
| 205 | E | A | -1.7308 | |
| 206 | L | A | 0.0000 | |
| 207 | T | A | -1.2058 | |
| 208 | T | A | -1.0565 | |
| 209 | M | A | 0.0000 | |
| 210 | M | A | -0.2978 | |
| 211 | G | A | -0.0450 | |
| 212 | E | A | -0.1842 | |
| 213 | I | A | 0.0000 | |
| 214 | Y | A | 0.9550 | |
| 215 | S | A | 0.2208 | |
| 216 | L | A | 0.1502 | |
| 217 | Q | A | 0.0000 | |
| 218 | H | A | -1.0246 | |
| 219 | L | A | -0.5790 | |
| 220 | P | A | -1.0603 | |
| 221 | E | A | -1.9801 | |
| 222 | S | A | -0.9911 | |
| 223 | F | A | -0.6140 | |
| 224 | T | A | -0.4348 | |
| 4 | P | B | -0.5410 | |
| 5 | W | B | -0.7842 | |
| 6 | K | B | -1.7812 | |
| 7 | A | B | -1.0395 | |
| 8 | P | B | -1.1818 | |
| 9 | G | B | -1.3483 | |
| 10 | P | B | -1.3615 | |
| 11 | D | B | -2.3201 | |
| 12 | D | B | -1.7754 | |
| 13 | V | B | -1.0918 | |
| 14 | R | B | -0.6409 | |
| 15 | G | B | 0.0000 | |
| 16 | P | B | 0.0758 | |
| 17 | C | B | 0.1179 | |
| 18 | P | B | 0.0016 | |
| 19 | M | B | 0.1747 | |
| 20 | L | B | 0.3181 | |
| 21 | N | B | 0.0000 | |
| 22 | T | B | 0.0000 | |
| 23 | L | B | 0.0000 | |
| 24 | A | B | 0.0000 | |
| 25 | N | B | 0.0000 | |
| 26 | H | B | -0.6585 | |
| 27 | G | B | -0.6463 | |
| 28 | F | B | 0.0350 | |
| 29 | L | B | 0.0000 | |
| 30 | P | B | -0.8176 | |
| 31 | H | B | -1.2217 | |
| 32 | D | B | -1.7705 | |
| 33 | G | B | 0.0000 | |
| 34 | K | B | -2.0881 | |
| 35 | N | B | -1.9630 | |
| 36 | I | B | 0.0000 | |
| 37 | D | B | -1.3257 | |
| 38 | V | B | -0.9077 | |
| 39 | N | B | -1.7381 | |
| 40 | T | B | -1.1513 | |
| 41 | T | B | 0.0000 | |
| 42 | V | B | -2.0864 | |
| 43 | N | B | -1.6430 | |
| 44 | A | B | 0.0000 | |
| 45 | L | B | 0.0000 | |
| 46 | S | B | -1.1933 | |
| 47 | S | B | -0.7461 | |
| 48 | A | B | 0.0000 | |
| 49 | L | B | 0.0000 | |
| 50 | N | B | -1.5274 | |
| 51 | L | B | 0.0000 | |
| 52 | D | B | -2.2743 | |
| 53 | D | B | -3.3422 | |
| 54 | E | B | -3.6237 | |
| 55 | L | B | 0.0000 | |
| 56 | S | B | 0.0000 | |
| 57 | R | B | -3.0356 | |
| 58 | D | B | -2.3176 | |
| 59 | L | B | -0.6616 | |
| 60 | H | B | 0.0000 | |
| 61 | T | B | -0.2695 | |
| 62 | F | B | 0.5371 | |
| 63 | A | B | 0.0000 | |
| 64 | V | B | 0.2450 | |
| 65 | T | B | 0.1339 | |
| 66 | T | B | 0.0000 | |
| 67 | N | B | 0.0000 | |
| 68 | P | B | -1.0172 | |
| 69 | Q | B | -1.3309 | |
| 70 | P | B | -1.3051 | |
| 71 | N | B | -1.5572 | |
| 72 | A | B | -0.9102 | |
| 73 | T | B | -0.5366 | |
| 74 | W | B | -0.7694 | |
| 75 | F | B | 0.0000 | |
| 76 | S | B | 0.0000 | |
| 77 | L | B | 0.0000 | |
| 78 | N | B | -1.0618 | |
| 79 | H | B | -0.7679 | |
| 80 | L | B | 0.0000 | |
| 81 | S | B | -0.7319 | |
| 82 | R | B | -1.1256 | |
| 83 | H | B | -0.7760 | |
| 84 | N | B | -0.4412 | |
| 85 | V | B | 0.0000 | |
| 86 | L | B | 0.1293 | |
| 87 | E | B | 0.0000 | |
| 88 | H | B | -0.2611 | |
| 89 | D | B | 0.0000 | |
| 90 | A | B | 0.0000 | |
| 91 | S | B | -0.3034 | |
| 92 | L | B | 0.0000 | |
| 93 | S | B | 0.0000 | |
| 94 | R | B | 0.0000 | |
| 95 | Q | B | 0.4098 | |
| 96 | D | B | 0.0000 | |
| 97 | A | B | 0.4602 | |
| 98 | Y | B | 1.4907 | |
| 99 | F | B | 1.8738 | |
| 100 | G | B | 0.9523 | |
| 101 | P | B | 0.3233 | |
| 102 | P | B | 0.1500 | |
| 103 | D | B | -0.1027 | |
| 104 | V | B | 1.4496 | |
| 105 | F | B | 0.5856 | |
| 106 | N | B | -0.1745 | |
| 107 | A | B | -0.4527 | |
| 108 | A | B | -0.5556 | |
| 109 | V | B | 0.0000 | |
| 110 | F | B | 0.0000 | |
| 111 | N | B | -1.5491 | |
| 112 | E | B | -1.0416 | |
| 113 | T | B | 0.0000 | |
| 114 | K | B | -0.8302 | |
| 115 | A | B | -0.3794 | |
| 116 | Y | B | 0.0601 | |
| 117 | W | B | 0.0000 | |
| 118 | T | B | -0.3127 | |
| 119 | G | B | -0.8207 | |
| 120 | D | B | -1.6071 | |
| 121 | I | B | -0.2973 | |
| 122 | I | B | 0.0000 | |
| 123 | N | B | -0.9023 | |
| 124 | F | B | 0.0000 | |
| 125 | Q | B | -0.6367 | |
| 126 | M | B | -0.2303 | |
| 127 | A | B | 0.0000 | |
| 128 | A | B | 0.0000 | |
| 129 | N | B | -0.6371 | |
| 130 | A | B | 0.0000 | |
| 131 | L | B | 0.0000 | |
| 132 | T | B | -0.1720 | |
| 133 | A | B | -0.2673 | |
| 134 | R | B | 0.0000 | |
| 135 | L | B | 0.0000 | |
| 136 | M | B | 0.3296 | |
| 137 | T | B | 0.2672 | |
| 138 | S | B | 0.0000 | |
| 139 | N | B | -0.3019 | |
| 140 | L | B | 1.1091 | |
| 141 | T | B | 0.3457 | |
| 142 | N | B | 0.0000 | |
| 143 | P | B | -0.7833 | |
| 144 | E | B | -1.5069 | |
| 145 | F | B | -0.5668 | |
| 146 | S | B | 0.0000 | |
| 147 | M | B | -0.2720 | |
| 148 | S | B | 0.0000 | |
| 149 | Q | B | -1.0331 | |
| 150 | L | B | -0.2126 | |
| 151 | G | B | 0.0000 | |
| 152 | R | B | 0.0000 | |
| 153 | G | B | -0.4827 | |
| 154 | F | B | -0.1440 | |
| 155 | G | B | 0.0000 | |
| 156 | L | B | 0.0000 | |
| 157 | G | B | -0.6354 | |
| 158 | E | B | -1.3056 | |
| 159 | T | B | 0.0000 | |
| 160 | V | B | 0.0000 | |
| 161 | C | B | -0.3276 | |
| 162 | Y | B | 0.0000 | |
| 163 | V | B | 0.0000 | |
| 164 | T | B | 0.0000 | |
| 165 | I | B | 0.0000 | |
| 166 | L | B | 0.0000 | |
| 167 | G | B | -0.8321 | |
| 168 | S | B | -1.2518 | |
| 169 | K | B | 0.0000 | |
| 170 | E | B | -2.0847 | |
| 171 | T | B | -1.3648 | |
| 172 | R | B | -1.4437 | |
| 173 | T | B | -0.7792 | |
| 174 | V | B | 0.0000 | |
| 175 | P | B | -0.3684 | |
| 176 | K | B | -0.8058 | |
| 177 | A | B | -0.2108 | |
| 178 | F | B | -0.0110 | |
| 179 | V | B | 0.0000 | |
| 180 | E | B | -0.9051 | |
| 181 | Y | B | -0.6897 | |
| 182 | L | B | 0.0000 | |
| 183 | F | B | 0.0000 | |
| 184 | E | B | -1.7218 | |
| 185 | N | B | -1.3661 | |
| 186 | E | B | -0.9093 | |
| 187 | R | B | -1.0615 | |
| 188 | L | B | 0.0000 | |
| 189 | P | B | 0.0000 | |
| 190 | Y | B | -0.2029 | |
| 191 | E | B | -1.1511 | |
| 192 | L | B | 0.0650 | |
| 193 | G | B | -0.4442 | |
| 194 | F | B | 0.0000 | |
| 195 | K | B | -2.4679 | |
| 196 | K | B | -2.5062 | |
| 197 | M | B | -1.8950 | |
| 198 | K | B | -2.3092 | |
| 199 | S | B | -1.4057 | |
| 200 | A | B | -1.2693 | |
| 201 | L | B | 0.0000 | |
| 202 | T | B | -2.0315 | |
| 203 | E | B | -2.7492 | |
| 204 | D | B | -2.5397 | |
| 205 | E | B | -1.7391 | |
| 206 | L | B | 0.0000 | |
| 207 | T | B | -1.2319 | |
| 208 | T | B | -1.0556 | |
| 209 | M | B | 0.0000 | |
| 210 | M | B | -0.4986 | |
| 211 | G | B | -0.3403 | |
| 212 | E | B | -0.3777 | |
| 213 | I | B | 0.0000 | |
| 214 | Y | B | -0.0323 | |
| 215 | S | B | -0.1172 | |
| 216 | L | B | -0.0132 | |
| 217 | Q | B | 0.0000 | |
| 218 | H | B | -1.1076 | |
| 219 | L | B | -0.8790 | |
| 220 | P | B | -1.1272 | |
| 221 | E | B | -2.2438 | |
| 222 | S | B | -1.2938 | |
| 223 | F | B | -1.1136 | |
| 224 | S | B | -1.2278 | mutated: TS224B |
| 225 | K | B | -2.0114 | |
| 226 | P | B | -1.0218 |
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