| Chain sequence(s) |
A: QVQLVQSGAEVKKPGSSVKVSCKASGGSFSRLAFSWVRQAPGQGLEWMGGIIPIIGTADYAQKFQGRVTITADESTNTAYMELSSLRSEDTAVYYCARDLSSGYSDALDIWGQGSVITVSSASTKGPEVQLVESGGGVVQPGRSLRLSCTASGFAFGDYAMSWVRQAPGKGLEWVGFIRSKTYGATTEYAASVKGRFAISRDDSKGIAYLQMNSLRAEDTAVYYCARGITGYAGYDYWGQGTLVTVSS
B: SYELTQPLSVSVSPGQTSTITCSGEALGDRYASWYQQRPGQSPILVIYQDTKRPSGIPERFSGSSSRGTATLTISGTQATDEADYYCQTWDRSTGVFGTGTKVTVLRTVAAPSVFIFPPDIQMTQSPSTLSASVGDRVTITCRASYSVSPWLAWYQQKPGKAPKLLIYAASSLQRGVPSRFSGSGSGTEFTLTISSLQAEDVAVYYCQQSYSAPLTFGGGTKVEIK input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 5 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | IK55A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.41595 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] FoldX: Building mutant model (00:03:23)
[INFO] FoldX: Starting FoldX energy minimalization (00:03:49)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:51)
[INFO] Main: Simulation completed successfully. (00:06:59)
|
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 | Q | A | -1.1983 | |
| 2 | V | A | 0.0000 | |
| 3 | Q | A | -1.1983 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 1.3950 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.1476 | |
| 8 | G | A | -0.4670 | |
| 9 | A | A | -0.1029 | |
| 10 | E | A | -1.0513 | |
| 11 | V | A | 0.6338 | |
| 12 | K | A | -0.6639 | |
| 13 | K | A | -1.8124 | |
| 14 | P | A | -0.4822 | |
| 15 | G | A | -0.5166 | |
| 16 | S | A | -0.1472 | |
| 17 | S | A | -0.0884 | |
| 18 | V | A | 0.0000 | |
| 19 | K | A | -1.8113 | |
| 20 | V | A | 0.0000 | |
| 21 | S | A | -0.0201 | |
| 22 | C | A | 0.0000 | |
| 23 | K | A | -1.0917 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -0.1692 | |
| 26 | G | A | -0.5250 | |
| 27 | G | A | -0.3664 | |
| 28 | S | A | -0.2587 | |
| 29 | F | A | 0.0000 | |
| 30 | S | A | -0.1826 | |
| 31 | R | A | -1.8203 | |
| 32 | L | A | -0.1698 | |
| 33 | A | A | 0.0000 | |
| 34 | F | A | 0.0000 | |
| 35 | S | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | -0.2492 | |
| 39 | Q | A | -0.1761 | |
| 40 | A | A | -0.0611 | |
| 41 | P | A | -0.3398 | |
| 42 | G | A | -0.7324 | |
| 43 | Q | A | -1.3073 | |
| 44 | G | A | -0.3514 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -0.3063 | |
| 47 | W | A | 0.0000 | |
| 48 | M | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | G | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | P | A | 0.0000 | |
| 54 | I | A | 1.6085 | |
| 55 | K | A | -1.4389 | mutated: IK55A |
| 56 | G | A | -0.7865 | |
| 57 | T | A | -0.1510 | |
| 58 | A | A | -0.0803 | |
| 59 | D | A | -0.3704 | |
| 60 | Y | A | 0.1903 | |
| 61 | A | A | 0.0000 | |
| 62 | Q | A | -1.5189 | |
| 63 | K | A | -1.9260 | |
| 64 | F | A | 0.0000 | |
| 65 | Q | A | -1.2822 | |
| 66 | G | A | -0.7638 | |
| 67 | R | A | -0.5144 | |
| 68 | V | A | 0.0000 | |
| 69 | T | A | -0.0519 | |
| 70 | I | A | 0.0000 | |
| 71 | T | A | -0.0315 | |
| 72 | A | A | -0.1500 | |
| 73 | D | A | -1.1051 | |
| 74 | E | A | -1.8004 | |
| 75 | S | A | -0.5113 | |
| 76 | T | A | -0.1533 | |
| 77 | N | A | -0.6060 | |
| 78 | T | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | Y | A | 0.2092 | |
| 81 | M | A | 0.0000 | |
| 82 | E | A | -1.0053 | |
| 83 | L | A | 0.0000 | |
| 84 | S | A | -0.1210 | |
| 85 | S | A | -0.2718 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -1.8844 | |
| 88 | S | A | -0.8905 | |
| 89 | E | A | -1.8583 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.0142 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.5172 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | R | A | -0.2587 | |
| 99 | D | A | 0.0000 | |
| 100 | L | A | 0.6062 | |
| 101 | S | A | -0.0092 | |
| 102 | S | A | -0.2253 | |
| 103 | G | A | -0.1589 | |
| 104 | Y | A | 0.1820 | |
| 105 | S | A | -0.0370 | |
| 106 | D | A | 0.0000 | |
| 107 | A | A | 0.0000 | |
| 108 | L | A | 0.0000 | |
| 109 | D | A | -0.3422 | |
| 110 | I | A | 0.1753 | |
| 111 | W | A | 0.1576 | |
| 112 | G | A | 0.0000 | |
| 113 | Q | A | -1.2089 | |
| 114 | G | A | -0.2800 | |
| 115 | S | A | 0.0000 | |
| 116 | V | A | 1.1902 | |
| 117 | I | A | 0.0000 | |
| 118 | T | A | 0.1009 | |
| 119 | V | A | 0.0000 | |
| 120 | S | A | -0.0954 | |
| 121 | S | A | -0.2123 | |
| 122 | A | A | -0.0178 | |
| 123 | S | A | -0.2142 | |
| 124 | T | A | -0.4074 | |
| 125 | K | A | -1.7631 | |
| 126 | G | A | -0.6319 | |
| 127 | P | A | -0.6132 | |
| 128 | E | A | -1.5491 | |
| 129 | V | A | -0.2671 | |
| 130 | Q | A | -1.0898 | |
| 131 | L | A | 0.0000 | |
| 132 | V | A | 1.5084 | |
| 133 | E | A | 0.0000 | |
| 134 | S | A | -0.2254 | |
| 135 | G | A | -0.3883 | |
| 136 | G | A | -0.3139 | |
| 137 | G | A | 0.1101 | |
| 138 | V | A | 1.7354 | |
| 139 | V | A | 0.0000 | |
| 140 | Q | A | -1.1700 | |
| 141 | P | A | -0.4100 | |
| 142 | G | A | -0.8471 | |
| 143 | R | A | -1.9592 | |
| 144 | S | A | -0.5265 | |
| 145 | L | A | -0.1055 | |
| 146 | R | A | -1.8470 | |
| 147 | L | A | 0.0000 | |
| 148 | S | A | -0.0200 | |
| 149 | C | A | 0.0000 | |
| 150 | T | A | -0.0064 | |
| 151 | A | A | 0.0000 | |
| 152 | S | A | -0.2058 | |
| 153 | G | A | -0.2062 | |
| 154 | F | A | 0.2717 | |
| 155 | A | A | 0.1133 | |
| 156 | F | A | 0.0000 | |
| 157 | G | A | -0.3792 | |
| 158 | D | A | -1.7032 | |
| 159 | Y | A | -0.0932 | |
| 160 | A | A | -0.0021 | |
| 161 | M | A | 0.0000 | |
| 162 | S | A | 0.0000 | |
| 163 | W | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | R | A | 0.0000 | |
| 166 | Q | A | -0.1470 | |
| 167 | A | A | -0.0635 | |
| 168 | P | A | -0.3407 | |
| 169 | G | A | -0.8245 | |
| 170 | K | A | -1.8128 | |
| 171 | G | A | -0.4624 | |
| 172 | L | A | 0.0000 | |
| 173 | E | A | -0.7237 | |
| 174 | W | A | 0.0000 | |
| 175 | V | A | 0.0000 | |
| 176 | G | A | 0.0000 | |
| 177 | F | A | 0.2505 | |
| 178 | I | A | 0.0000 | |
| 179 | R | A | -0.3738 | |
| 180 | S | A | 0.0000 | |
| 181 | K | A | -1.7114 | |
| 182 | T | A | -0.2851 | |
| 183 | Y | A | 0.4848 | |
| 184 | G | A | -0.3603 | |
| 185 | A | A | -0.3001 | |
| 186 | T | A | -0.0442 | |
| 187 | T | A | -0.1436 | |
| 188 | E | A | -0.5668 | |
| 189 | Y | A | 0.0579 | |
| 190 | A | A | 0.0000 | |
| 191 | A | A | 0.0205 | |
| 192 | S | A | -0.1944 | |
| 193 | V | A | 0.0000 | |
| 194 | K | A | -1.7154 | |
| 195 | G | A | -0.8215 | |
| 196 | R | A | -0.4006 | |
| 197 | F | A | 0.0000 | |
| 198 | A | A | -0.0120 | |
| 199 | I | A | 0.0000 | |
| 200 | S | A | -0.1910 | |
| 201 | R | A | -0.3313 | |
| 202 | D | A | -0.5231 | |
| 203 | D | A | -0.6314 | |
| 204 | S | A | -0.6193 | |
| 205 | K | A | -1.7389 | |
| 206 | G | A | 0.0000 | |
| 207 | I | A | 0.2430 | |
| 208 | A | A | 0.0000 | |
| 209 | Y | A | 0.1902 | |
| 210 | L | A | 0.0000 | |
| 211 | Q | A | -0.6296 | |
| 212 | M | A | 0.0000 | |
| 213 | N | A | -0.5073 | |
| 214 | S | A | -0.3237 | |
| 215 | L | A | 0.0000 | |
| 216 | R | A | -1.8140 | |
| 217 | A | A | -0.6112 | |
| 218 | E | A | -1.8094 | |
| 219 | D | A | 0.0000 | |
| 220 | T | A | -0.0148 | |
| 221 | A | A | 0.0000 | |
| 222 | V | A | 0.5372 | |
| 223 | Y | A | 0.0000 | |
| 224 | Y | A | 0.0000 | |
| 225 | C | A | 0.0000 | |
| 226 | A | A | 0.0000 | |
| 227 | R | A | 0.0000 | |
| 228 | G | A | -0.0015 | |
| 229 | I | A | 0.2507 | |
| 230 | T | A | -0.0350 | |
| 231 | G | A | -0.0225 | |
| 232 | Y | A | 0.5723 | |
| 233 | A | A | 0.0000 | |
| 234 | G | A | 0.0000 | |
| 235 | Y | A | 0.0000 | |
| 236 | D | A | -0.1719 | |
| 237 | Y | A | 0.2855 | |
| 238 | W | A | 0.1790 | |
| 239 | G | A | 0.0000 | |
| 240 | Q | A | -1.1983 | |
| 241 | G | A | 0.0000 | |
| 242 | T | A | 0.2570 | |
| 243 | L | A | 1.4562 | |
| 244 | V | A | 0.0000 | |
| 245 | T | A | 0.1916 | |
| 246 | V | A | 0.0000 | |
| 247 | S | A | -0.1625 | |
| 248 | S | A | -0.2351 | |
| 1 | S | B | 0.0166 | |
| 2 | Y | B | 0.9351 | |
| 3 | E | B | -1.5720 | |
| 4 | L | B | 0.0000 | |
| 5 | T | B | -0.0709 | |
| 6 | Q | B | 0.0000 | |
| 7 | P | B | 0.2038 | |
| 8 | L | B | 1.5059 | |
| 9 | S | B | 0.1555 | |
| 10 | V | B | 0.2328 | |
| 11 | S | B | -0.1608 | |
| 12 | V | B | 0.0000 | |
| 13 | S | B | 0.0106 | |
| 14 | P | B | -0.2197 | |
| 15 | G | B | -0.7223 | |
| 16 | Q | B | -1.2264 | |
| 17 | T | B | -0.3016 | |
| 18 | S | B | 0.0000 | |
| 19 | T | B | -0.0672 | |
| 20 | I | B | 0.0000 | |
| 21 | T | B | -0.0452 | |
| 22 | C | B | 0.0000 | |
| 23 | S | B | -0.0777 | |
| 24 | G | B | -0.4254 | |
| 25 | E | B | -1.8332 | |
| 26 | A | B | 0.0000 | |
| 27 | L | B | 0.0000 | |
| 28 | G | B | -0.8027 | |
| 29 | D | B | -1.9689 | |
| 30 | R | B | -0.6418 | |
| 31 | Y | B | 0.9259 | |
| 32 | A | B | 0.0000 | |
| 33 | S | B | 0.0000 | |
| 34 | W | B | 0.0000 | |
| 35 | Y | B | 0.0000 | |
| 36 | Q | B | 0.0000 | |
| 37 | Q | B | 0.0000 | |
| 38 | R | B | -0.9144 | |
| 39 | P | B | -0.5042 | |
| 40 | G | B | -0.7193 | |
| 41 | Q | B | -1.2174 | |
| 42 | S | B | -0.2432 | |
| 43 | P | B | 0.0000 | |
| 44 | I | B | 0.9069 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | I | B | 0.0000 | |
| 48 | Y | B | 0.1439 | |
| 49 | Q | B | -0.2004 | |
| 50 | D | B | -0.3581 | |
| 51 | T | B | -0.3377 | |
| 52 | K | B | -1.2707 | |
| 53 | R | B | -0.9258 | |
| 54 | P | B | -0.2126 | |
| 55 | S | B | -0.3040 | |
| 56 | G | B | -0.4475 | |
| 57 | I | B | 0.1885 | |
| 58 | P | B | -0.3566 | |
| 59 | E | B | -1.8987 | |
| 60 | R | B | -0.7034 | |
| 61 | F | B | 0.0000 | |
| 62 | S | B | -0.1011 | |
| 63 | G | B | 0.0000 | |
| 64 | S | B | -0.2333 | |
| 65 | S | B | -0.1786 | |
| 66 | S | B | -0.5200 | |
| 67 | R | B | -1.8892 | |
| 68 | G | B | -0.4938 | |
| 69 | T | B | -0.0424 | |
| 70 | A | B | 0.0000 | |
| 71 | T | B | -0.0190 | |
| 72 | L | B | 0.0000 | |
| 73 | T | B | -0.0242 | |
| 74 | I | B | 0.0000 | |
| 75 | S | B | -0.2111 | |
| 76 | G | B | -0.2321 | |
| 77 | T | B | 0.0000 | |
| 78 | Q | B | -0.9577 | |
| 79 | A | B | -0.1717 | |
| 80 | T | B | -0.0661 | |
| 81 | D | B | 0.0000 | |
| 82 | E | B | -0.3347 | |
| 83 | A | B | 0.0000 | |
| 84 | D | B | -0.7385 | |
| 85 | Y | B | 0.0000 | |
| 86 | Y | B | 0.0000 | |
| 87 | C | B | 0.0000 | |
| 88 | Q | B | 0.0000 | |
| 89 | T | B | 0.0000 | |
| 90 | W | B | 0.0000 | |
| 91 | D | B | -0.7037 | |
| 92 | R | B | -1.9150 | |
| 93 | S | B | -0.3532 | |
| 94 | T | B | -0.0283 | |
| 95 | G | B | -0.0095 | |
| 96 | V | B | 0.2173 | |
| 97 | F | B | 0.0000 | |
| 98 | G | B | 0.0000 | |
| 99 | T | B | -0.0805 | |
| 100 | G | B | -0.0655 | |
| 101 | T | B | 0.0000 | |
| 102 | K | B | -0.5726 | |
| 103 | V | B | 0.0000 | |
| 104 | T | B | -0.0382 | |
| 105 | V | B | 0.0000 | |
| 106 | L | B | 0.5029 | |
| 107 | R | B | -0.3717 | |
| 108 | T | B | 0.2340 | |
| 109 | V | B | 1.7642 | |
| 110 | A | B | 0.3622 | |
| 111 | A | B | 0.0284 | |
| 112 | P | B | -0.2171 | |
| 113 | S | B | 0.0628 | |
| 114 | V | B | 2.1052 | |
| 115 | F | B | 2.6565 | |
| 116 | I | B | 2.7017 | |
| 117 | F | B | 2.2691 | |
| 118 | P | B | 0.2790 | |
| 119 | P | B | -0.3657 | |
| 120 | D | B | -0.8012 | |
| 121 | I | B | 0.0000 | |
| 122 | Q | B | -1.1983 | |
| 123 | M | B | 0.0000 | |
| 124 | T | B | -0.0673 | |
| 125 | Q | B | 0.0000 | |
| 126 | S | B | -0.1798 | |
| 127 | P | B | -0.1755 | |
| 128 | S | B | -0.2429 | |
| 129 | T | B | -0.1204 | |
| 130 | L | B | 0.2804 | |
| 131 | S | B | -0.2718 | |
| 132 | A | B | 0.0000 | |
| 133 | S | B | 0.2158 | |
| 134 | V | B | 1.4946 | |
| 135 | G | B | -0.3314 | |
| 136 | D | B | -1.3244 | |
| 137 | R | B | -2.0212 | |
| 138 | V | B | 0.0000 | |
| 139 | T | B | -0.0714 | |
| 140 | I | B | 0.0000 | |
| 141 | T | B | -0.0193 | |
| 142 | C | B | 0.0000 | |
| 143 | R | B | -1.7017 | |
| 144 | A | B | 0.0000 | |
| 145 | S | B | -0.0066 | |
| 146 | Y | B | 0.8462 | |
| 147 | S | B | -0.0473 | |
| 148 | V | B | 0.0000 | |
| 149 | S | B | -0.1327 | |
| 150 | P | B | -0.1840 | |
| 151 | W | B | 0.0000 | |
| 152 | L | B | 0.0000 | |
| 153 | A | B | 0.0000 | |
| 154 | W | B | 0.0000 | |
| 155 | Y | B | 0.0000 | |
| 156 | Q | B | 0.0000 | |
| 157 | Q | B | 0.0000 | |
| 158 | K | B | -0.5076 | |
| 159 | P | B | -0.4274 | |
| 160 | G | B | -0.8267 | |
| 161 | K | B | -1.7840 | |
| 162 | A | B | -0.3040 | |
| 163 | P | B | 0.0000 | |
| 164 | K | B | -1.1743 | |
| 165 | L | B | 0.0000 | |
| 166 | L | B | 0.0000 | |
| 167 | I | B | 0.0000 | |
| 168 | Y | B | 0.3113 | |
| 169 | A | B | 0.0703 | |
| 170 | A | B | 0.0000 | |
| 171 | S | B | -0.2552 | |
| 172 | S | B | 0.0047 | |
| 173 | L | B | 0.5653 | |
| 174 | Q | B | -0.3818 | |
| 175 | R | B | -1.9550 | |
| 176 | G | B | -0.7576 | |
| 177 | V | B | 0.0937 | |
| 178 | P | B | -0.1202 | |
| 179 | S | B | -0.2925 | |
| 180 | R | B | -0.3459 | |
| 181 | F | B | 0.0000 | |
| 182 | S | B | -0.1844 | |
| 183 | G | B | -0.1566 | |
| 184 | S | B | -0.2890 | |
| 185 | G | B | -0.3119 | |
| 186 | S | B | -0.2447 | |
| 187 | G | B | -0.1617 | |
| 188 | T | B | -0.3529 | |
| 189 | E | B | -1.7049 | |
| 190 | F | B | 0.0000 | |
| 191 | T | B | -0.0215 | |
| 192 | L | B | 0.0000 | |
| 193 | T | B | -0.0242 | |
| 194 | I | B | 0.0000 | |
| 195 | S | B | -0.3132 | |
| 196 | S | B | -0.1576 | |
| 197 | L | B | 0.0000 | |
| 198 | Q | B | -0.4098 | |
| 199 | A | B | -0.3514 | |
| 200 | E | B | -1.8092 | |
| 201 | D | B | 0.0000 | |
| 202 | V | B | 0.4187 | |
| 203 | A | B | 0.0000 | |
| 204 | V | B | 0.2420 | |
| 205 | Y | B | 0.0000 | |
| 206 | Y | B | 0.0000 | |
| 207 | C | B | 0.0000 | |
| 208 | Q | B | 0.0000 | |
| 209 | Q | B | 0.0000 | |
| 210 | S | B | 0.0484 | |
| 211 | Y | B | 0.3826 | |
| 212 | S | B | 0.0439 | |
| 213 | A | B | 0.0011 | |
| 214 | P | B | -0.0287 | |
| 215 | L | B | 0.0000 | |
| 216 | T | B | -0.0108 | |
| 217 | F | B | 0.0000 | |
| 218 | G | B | 0.0000 | |
| 219 | G | B | -0.4750 | |
| 220 | G | B | -0.1343 | |
| 221 | T | B | 0.0000 | |
| 222 | K | B | -0.5400 | |
| 223 | V | B | 0.0000 | |
| 224 | E | B | -0.9703 | |
| 225 | I | B | 0.0603 | |
| 226 | K | B | -1.5927 |
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