| Chain sequence(s) |
A: APIDIFQSILSRKSIRAFTDQPVTQETIREILKLAARAPSGTNLQPWQVIVLTGKILQKVGQELSQLVLSGIKGEREYHYYPRQWREPYLSRRRKVGLDLYKSLGIQKGDQEKMLHQKAKNFLFYGAPVGLLFTIDHDMEMGSWLDLGMFMQTIMLAARGFGLDTCAQAAFADYHKQIRSLLSVPSDRHIICGMALGYRDMNAPENNFETEREPIDNFVHFIKSYP
B: APIDIFQSILSRKSIRAFTDQPVTQETIREILKLAARAPSGTNLQPWQVIVLTGKILQKVGQELSQLVLSGIKGEREYHYYPRQWREPYLSRRRKVGLDLYKSLGIQKGDQEKMLHQKAKNFLFYGAPVGLLFTIDHDMEMGSWLDLGMFMQTIMLAARGFGLDTCAQAAFADYHKQIRSLLSVPSDRHIICGMALGYRDMNAPENNFETEREPIDNFVHFIKSYP input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | LS13B,LS13A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 2.41879 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 (00:03:58)
[INFO] FoldX: Starting FoldX energy minimalization (00:04:24)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:48)
[INFO] Main: Simulation completed successfully. (00:07:51)
|
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 | |
| 4 | A | A | 0.0417 | |
| 5 | P | A | -0.1084 | |
| 6 | I | A | 0.1355 | |
| 7 | D | A | -0.3553 | |
| 8 | I | A | 0.0000 | |
| 9 | F | A | -0.2589 | |
| 10 | Q | A | -1.1511 | |
| 11 | S | A | 0.0000 | |
| 12 | I | A | 0.0000 | |
| 13 | S | A | -0.8219 | mutated: LS13A |
| 14 | S | A | -0.7246 | |
| 15 | R | A | 0.0000 | |
| 16 | K | A | -1.0448 | |
| 17 | S | A | -0.4680 | |
| 18 | I | A | 0.0000 | |
| 19 | R | A | -0.9385 | |
| 20 | A | A | -0.6791 | |
| 21 | F | A | -0.9260 | |
| 22 | T | A | -1.3495 | |
| 23 | D | A | -2.4710 | |
| 24 | Q | A | -2.0220 | |
| 25 | P | A | -1.2595 | |
| 26 | V | A | -0.8152 | |
| 27 | T | A | -1.1863 | |
| 28 | Q | A | -1.8758 | |
| 29 | E | A | -2.6366 | |
| 30 | T | A | -1.6669 | |
| 31 | I | A | 0.0000 | |
| 32 | R | A | -2.2542 | |
| 33 | E | A | -2.1790 | |
| 34 | I | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | K | A | -1.7029 | |
| 37 | L | A | -1.0193 | |
| 38 | A | A | 0.0000 | |
| 39 | A | A | 0.0000 | |
| 40 | R | A | -1.4330 | |
| 41 | A | A | 0.0000 | |
| 42 | P | A | -0.4216 | |
| 43 | S | A | -0.2645 | |
| 44 | G | A | -0.2711 | |
| 45 | T | A | -0.8400 | |
| 46 | N | A | -1.2591 | |
| 47 | L | A | 0.0000 | |
| 48 | Q | A | 0.0000 | |
| 49 | P | A | 0.0000 | |
| 50 | W | A | 0.0000 | |
| 51 | Q | A | -0.6244 | |
| 52 | V | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | V | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | T | A | -1.3581 | |
| 57 | G | A | -1.8867 | |
| 58 | K | A | -2.7251 | |
| 59 | I | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | Q | A | -2.6316 | |
| 62 | K | A | -2.1310 | |
| 63 | V | A | 0.0000 | |
| 64 | G | A | 0.0000 | |
| 65 | Q | A | -2.3571 | |
| 66 | E | A | -1.9832 | |
| 67 | L | A | 0.0000 | |
| 68 | S | A | 0.0000 | |
| 69 | Q | A | -1.4148 | |
| 70 | L | A | 0.0000 | |
| 71 | V | A | 0.0000 | |
| 72 | L | A | -0.1442 | |
| 73 | S | A | -0.1359 | |
| 74 | G | A | -0.2218 | |
| 75 | I | A | -0.2332 | |
| 76 | K | A | -1.8682 | |
| 77 | G | A | -2.1590 | |
| 78 | E | A | -3.0409 | |
| 79 | R | A | -2.7121 | |
| 80 | E | A | -2.0162 | |
| 81 | Y | A | -1.0555 | |
| 82 | H | A | -1.4425 | |
| 83 | Y | A | 0.0000 | |
| 84 | Y | A | -0.5283 | |
| 85 | P | A | 0.0000 | |
| 86 | R | A | -2.6017 | |
| 87 | Q | A | -2.1312 | |
| 88 | W | A | -1.4719 | |
| 89 | R | A | -1.8727 | |
| 90 | E | A | -1.9355 | |
| 91 | P | A | -1.2364 | |
| 92 | Y | A | 0.0000 | |
| 93 | L | A | -1.4575 | |
| 94 | S | A | -1.6321 | |
| 95 | R | A | 0.0000 | |
| 96 | R | A | -2.0790 | |
| 97 | R | A | -2.7814 | |
| 98 | K | A | -2.5085 | |
| 99 | V | A | -1.9335 | |
| 100 | G | A | -1.7933 | |
| 101 | L | A | -1.9908 | |
| 102 | D | A | -2.0973 | |
| 103 | L | A | 0.0000 | |
| 104 | Y | A | -1.6608 | |
| 105 | K | A | -2.3453 | |
| 106 | S | A | -1.2405 | |
| 107 | L | A | -0.8651 | |
| 108 | G | A | -1.6041 | |
| 109 | I | A | 0.0000 | |
| 110 | Q | A | -2.9201 | |
| 111 | K | A | -3.1565 | |
| 112 | G | A | -2.6173 | |
| 113 | D | A | -3.0172 | |
| 114 | Q | A | -3.2312 | |
| 115 | E | A | -3.1866 | |
| 116 | K | A | -3.1906 | |
| 117 | M | A | -2.4025 | |
| 118 | L | A | -1.6549 | |
| 119 | H | A | -1.9064 | |
| 120 | Q | A | -1.6802 | |
| 121 | K | A | -1.6051 | |
| 122 | A | A | 0.0000 | |
| 123 | K | A | -1.4941 | |
| 124 | N | A | -0.9653 | |
| 125 | F | A | 0.0000 | |
| 126 | L | A | -0.8246 | |
| 127 | F | A | 0.0000 | |
| 128 | Y | A | 0.0000 | |
| 129 | G | A | -0.9819 | |
| 130 | A | A | 0.0000 | |
| 131 | P | A | -0.8840 | |
| 132 | V | A | 0.0000 | |
| 133 | G | A | 0.0000 | |
| 134 | L | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | F | A | 0.0000 | |
| 137 | T | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | D | A | -1.7103 | |
| 140 | H | A | -1.9953 | |
| 141 | D | A | 0.0000 | |
| 142 | M | A | 0.0000 | |
| 143 | E | A | -0.8900 | |
| 144 | M | A | -0.0621 | |
| 145 | G | A | -0.1382 | |
| 146 | S | A | 0.0000 | |
| 147 | W | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | D | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | G | A | 0.0000 | |
| 152 | M | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | M | A | 0.0000 | |
| 155 | Q | A | 0.0000 | |
| 156 | T | A | 0.0000 | |
| 157 | I | A | 0.0000 | |
| 158 | M | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | R | A | -0.4438 | |
| 163 | G | A | -0.1095 | |
| 164 | F | A | 0.1181 | |
| 165 | G | A | -0.2816 | |
| 166 | L | A | 0.0000 | |
| 167 | D | A | 0.0000 | |
| 168 | T | A | 0.0000 | |
| 169 | C | A | 0.0000 | |
| 170 | A | A | -0.1106 | |
| 171 | Q | A | 0.0000 | |
| 172 | A | A | -0.0709 | |
| 173 | A | A | -0.3142 | |
| 174 | F | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | D | A | 0.0000 | |
| 177 | Y | A | 0.0000 | |
| 178 | H | A | -1.6117 | |
| 179 | K | A | -2.0815 | |
| 180 | Q | A | -1.0737 | |
| 181 | I | A | 0.0000 | |
| 182 | R | A | -1.1216 | |
| 183 | S | A | -0.7073 | |
| 184 | L | A | -0.2590 | |
| 185 | L | A | 0.0000 | |
| 186 | S | A | -0.4056 | |
| 187 | V | A | 0.0000 | |
| 188 | P | A | -1.2564 | |
| 189 | S | A | -1.6579 | |
| 190 | D | A | -2.6791 | |
| 191 | R | A | -2.1357 | |
| 192 | H | A | -1.5707 | |
| 193 | I | A | 0.0000 | |
| 194 | I | A | 0.0000 | |
| 195 | C | A | 0.0000 | |
| 196 | G | A | 0.0000 | |
| 197 | M | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | G | A | 0.0000 | |
| 201 | Y | A | -0.4920 | |
| 202 | R | A | -0.7669 | |
| 203 | D | A | -1.1287 | |
| 204 | M | A | -0.1933 | |
| 205 | N | A | -1.3197 | |
| 206 | A | A | -0.9999 | |
| 207 | P | A | -1.2229 | |
| 208 | E | A | -1.4004 | |
| 209 | N | A | 0.0000 | |
| 210 | N | A | -1.8846 | |
| 211 | F | A | -1.7509 | |
| 212 | E | A | -2.3381 | |
| 213 | T | A | -1.7718 | |
| 214 | E | A | -1.5281 | |
| 215 | R | A | -1.3612 | |
| 216 | E | A | -1.5485 | |
| 217 | P | A | -1.6898 | |
| 218 | I | A | 0.0000 | |
| 219 | D | A | -2.8612 | |
| 220 | N | A | -2.4595 | |
| 221 | F | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | H | A | -1.3476 | |
| 224 | F | A | -0.7852 | |
| 225 | I | A | -0.8914 | |
| 226 | K | A | -2.3086 | |
| 227 | S | A | -1.5539 | |
| 228 | Y | A | -0.9649 | |
| 229 | P | A | -0.4981 | |
| 4 | A | B | 0.0616 | |
| 5 | P | B | 0.0121 | |
| 6 | I | B | 0.1542 | |
| 7 | D | B | -0.3507 | |
| 8 | I | B | 0.0000 | |
| 9 | F | B | -0.2380 | |
| 10 | Q | B | -1.1025 | |
| 11 | S | B | 0.0000 | |
| 12 | I | B | 0.0000 | |
| 13 | S | B | -0.8068 | mutated: LS13B |
| 14 | S | B | -0.7339 | |
| 15 | R | B | 0.0000 | |
| 16 | K | B | -1.0220 | |
| 17 | S | B | -0.3987 | |
| 18 | I | B | 0.0000 | |
| 19 | R | B | -0.6844 | |
| 20 | A | B | -0.6598 | |
| 21 | F | B | -0.8110 | |
| 22 | T | B | -1.3505 | |
| 23 | D | B | -2.3888 | |
| 24 | Q | B | -1.9053 | |
| 25 | P | B | -1.2960 | |
| 26 | V | B | 0.0000 | |
| 27 | T | B | -1.5200 | |
| 28 | Q | B | -2.1541 | |
| 29 | E | B | -2.8008 | |
| 30 | T | B | -1.8713 | |
| 31 | I | B | 0.0000 | |
| 32 | R | B | -2.4094 | |
| 33 | E | B | -2.4579 | |
| 34 | I | B | 0.0000 | |
| 35 | L | B | 0.0000 | |
| 36 | K | B | -2.0613 | |
| 37 | L | B | 0.0000 | |
| 38 | A | B | 0.0000 | |
| 39 | A | B | 0.0000 | |
| 40 | R | B | -1.2929 | |
| 41 | A | B | 0.0000 | |
| 42 | P | B | -0.3938 | |
| 43 | S | B | -0.2007 | |
| 44 | G | B | -0.1966 | |
| 45 | T | B | -0.7137 | |
| 46 | N | B | 0.0000 | |
| 47 | L | B | 0.0000 | |
| 48 | Q | B | 0.0000 | |
| 49 | P | B | 0.0000 | |
| 50 | W | B | 0.0000 | |
| 51 | Q | B | -0.7555 | |
| 52 | V | B | 0.0000 | |
| 53 | I | B | 0.0000 | |
| 54 | V | B | 0.0000 | |
| 55 | L | B | 0.0000 | |
| 56 | T | B | -1.5643 | |
| 57 | G | B | -2.1941 | |
| 58 | K | B | -2.8169 | |
| 59 | I | B | 0.0000 | |
| 60 | L | B | 0.0000 | |
| 61 | Q | B | -2.3563 | |
| 62 | K | B | -1.5469 | |
| 63 | V | B | 0.0000 | |
| 64 | G | B | 0.0000 | |
| 65 | Q | B | -1.4093 | |
| 66 | E | B | -1.4638 | |
| 67 | L | B | 0.0000 | |
| 68 | S | B | 0.0000 | |
| 69 | Q | B | -1.0878 | |
| 70 | L | B | -0.5283 | |
| 71 | V | B | 0.0000 | |
| 72 | L | B | 0.0852 | |
| 73 | S | B | -0.1052 | |
| 74 | G | B | -0.3344 | |
| 75 | I | B | -0.3331 | |
| 76 | K | B | -1.9957 | |
| 77 | G | B | -2.2935 | |
| 78 | E | B | -3.2160 | |
| 79 | R | B | -3.0536 | |
| 80 | E | B | -2.2059 | |
| 81 | Y | B | -1.2120 | |
| 82 | H | B | -1.4517 | |
| 83 | Y | B | 0.0000 | |
| 84 | Y | B | -0.4053 | |
| 85 | P | B | 0.0000 | |
| 86 | R | B | -1.8827 | |
| 87 | Q | B | -1.6120 | |
| 88 | W | B | -1.5372 | |
| 89 | R | B | -2.6177 | |
| 90 | E | B | -2.5792 | |
| 91 | P | B | -1.6017 | |
| 92 | Y | B | -1.4461 | |
| 93 | L | B | -1.7406 | |
| 94 | S | B | -1.9591 | |
| 95 | R | B | -2.1847 | |
| 96 | R | B | -2.2219 | |
| 97 | R | B | -2.6778 | |
| 98 | K | B | -2.7622 | |
| 99 | V | B | -1.9430 | |
| 100 | G | B | -1.2322 | |
| 101 | L | B | -1.1243 | |
| 102 | D | B | -1.1481 | |
| 103 | L | B | -0.7998 | |
| 104 | Y | B | -0.8528 | |
| 105 | K | B | -1.5494 | |
| 106 | S | B | -0.7906 | |
| 107 | L | B | -0.4725 | |
| 108 | G | B | -1.3462 | |
| 109 | I | B | -1.7998 | |
| 110 | Q | B | -2.6384 | |
| 111 | K | B | -2.6344 | |
| 112 | G | B | -2.4444 | |
| 113 | D | B | -2.6926 | |
| 114 | Q | B | -3.0362 | |
| 115 | E | B | -3.0749 | |
| 116 | K | B | -2.8367 | |
| 117 | M | B | -2.1370 | |
| 118 | L | B | -1.6142 | |
| 119 | H | B | -2.0936 | |
| 120 | Q | B | -1.7095 | |
| 121 | K | B | -1.7205 | |
| 122 | A | B | 0.0000 | |
| 123 | K | B | -1.0530 | |
| 124 | N | B | -0.7592 | |
| 125 | F | B | 0.0000 | |
| 126 | L | B | -0.1344 | |
| 127 | F | B | 0.0000 | |
| 128 | Y | B | 0.0000 | |
| 129 | G | B | -0.8109 | |
| 130 | A | B | 0.0000 | |
| 131 | P | B | -0.9093 | |
| 132 | V | B | 0.0000 | |
| 133 | G | B | 0.0000 | |
| 134 | L | B | 0.0000 | |
| 135 | L | B | 0.0000 | |
| 136 | F | B | 0.0000 | |
| 137 | T | B | 0.0000 | |
| 138 | I | B | 0.0000 | |
| 139 | D | B | -1.6219 | |
| 140 | H | B | -2.0589 | |
| 141 | D | B | -1.8261 | |
| 142 | M | B | 0.0000 | |
| 143 | E | B | -0.9879 | |
| 144 | M | B | -0.0868 | |
| 145 | G | B | -0.1250 | |
| 146 | S | B | 0.0000 | |
| 147 | W | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | D | B | 0.0000 | |
| 150 | L | B | 0.0000 | |
| 151 | G | B | 0.0000 | |
| 152 | M | B | 0.0000 | |
| 153 | F | B | 0.0000 | |
| 154 | M | B | 0.0000 | |
| 155 | Q | B | 0.0000 | |
| 156 | T | B | 0.0000 | |
| 157 | I | B | 0.0000 | |
| 158 | M | B | 0.0000 | |
| 159 | L | B | 0.0000 | |
| 160 | A | B | 0.0000 | |
| 161 | A | B | 0.0000 | |
| 162 | R | B | -0.4766 | |
| 163 | G | B | -0.1734 | |
| 164 | F | B | 0.0043 | |
| 165 | G | B | -0.2954 | |
| 166 | L | B | 0.0000 | |
| 167 | D | B | 0.0000 | |
| 168 | T | B | 0.0000 | |
| 169 | C | B | 0.0000 | |
| 170 | A | B | -0.0592 | |
| 171 | Q | B | 0.0000 | |
| 172 | A | B | -0.1192 | |
| 173 | A | B | -0.3429 | |
| 174 | F | B | 0.0000 | |
| 175 | A | B | 0.0000 | |
| 176 | D | B | 0.0000 | |
| 177 | Y | B | 0.0000 | |
| 178 | H | B | 0.0000 | |
| 179 | K | B | -2.5777 | |
| 180 | Q | B | -1.4178 | |
| 181 | I | B | 0.0000 | |
| 182 | R | B | -1.2510 | |
| 183 | S | B | -0.8570 | |
| 184 | L | B | -0.3914 | |
| 185 | L | B | 0.0000 | |
| 186 | S | B | -0.4279 | |
| 187 | V | B | 0.0000 | |
| 188 | P | B | -1.2331 | |
| 189 | S | B | -1.6538 | |
| 190 | D | B | -2.6901 | |
| 191 | R | B | -2.1160 | |
| 192 | H | B | -1.5323 | |
| 193 | I | B | 0.0000 | |
| 194 | I | B | 0.0000 | |
| 195 | C | B | 0.0000 | |
| 196 | G | B | 0.0000 | |
| 197 | M | B | 0.0000 | |
| 198 | A | B | 0.0000 | |
| 199 | L | B | 0.0000 | |
| 200 | G | B | 0.0000 | |
| 201 | Y | B | -0.3097 | |
| 202 | R | B | -0.5960 | |
| 203 | D | B | -0.9758 | |
| 204 | M | B | -0.1268 | |
| 205 | N | B | -1.2697 | |
| 206 | A | B | -0.8780 | |
| 207 | P | B | -1.0617 | |
| 208 | E | B | 0.0000 | |
| 209 | N | B | 0.0000 | |
| 210 | N | B | -1.7448 | |
| 211 | F | B | -1.5056 | |
| 212 | E | B | -2.4453 | |
| 213 | T | B | -2.2051 | |
| 214 | E | B | -2.8315 | |
| 215 | R | B | -1.8993 | |
| 216 | E | B | -1.7977 | |
| 217 | P | B | -1.7741 | |
| 218 | I | B | 0.0000 | |
| 219 | D | B | -2.7480 | |
| 220 | N | B | -2.4689 | |
| 221 | F | B | 0.0000 | |
| 222 | V | B | 0.0000 | |
| 223 | H | B | -1.3195 | |
| 224 | F | B | -0.7106 | |
| 225 | I | B | -0.8080 | |
| 226 | K | B | -2.2341 | |
| 227 | S | B | -1.5094 | |
| 228 | Y | B | -0.9032 | |
| 229 | P | B | -0.5212 |
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