| Chain sequence(s) |
A: QVQLVQSGAEVKKPGSSVKVSCKASGGSFSRLAFSWVRQAPGQGLEWMGGIIPIIGTADYAQKFQGRVTITADESTNTAYMELSSLRSEDTAVYYCARDLSSGYSDALDIWGQGSVITVSSASTKGPEVQLVESGGGVVQPGRSLRLSCTASGFAFGDYAMSWVRQAPGKGLEWVGFIRSKTYGATTEYAASVKGRFAISRDDSKGIAYLQMNSLRAEDTAVYYCARGITGYAGYDYWGQGTLVTVSS
B: SYELTQPPSVSVSPGQTASITCSGDALGDRYACWYQQKPGQSPVLVIYQDTKRPSGIPERFSGSNSGNTATLTISGTQAMDEADYYCQTWDRSTGVFGTGTKVTVLRTVAAPSVFIFPPDIQMTQSPSTLSASVGDRVTITCRASYSVSPWLAWYQQKPGKAPKLLIYAASSLQRGVPSRFSGSGSGTEFTLTISSLQAEDVAVYYCQQSYSAPLTFGGGTKVEIK 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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:16)
[INFO] Main: Simulation completed successfully. (00:04:19)
|
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 | -1.5889 | |
| 2 | V | A | -1.2403 | |
| 3 | Q | A | -1.3112 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 0.6798 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.5140 | |
| 8 | G | A | -0.6332 | |
| 9 | A | A | -0.4236 | |
| 10 | E | A | -0.9240 | |
| 11 | V | A | 0.0280 | |
| 12 | K | A | -1.0003 | |
| 13 | K | A | -1.6084 | |
| 14 | P | A | -1.4203 | |
| 15 | G | A | -1.1221 | |
| 16 | S | A | -0.9689 | |
| 17 | S | A | -1.2063 | |
| 18 | V | A | 0.0000 | |
| 19 | K | A | -2.1610 | |
| 20 | V | A | 0.0000 | |
| 21 | S | A | -0.4680 | |
| 22 | C | A | 0.0000 | |
| 23 | K | A | -0.6102 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -0.9924 | |
| 26 | G | A | -1.3844 | |
| 27 | G | A | -1.3314 | |
| 28 | S | A | -1.0431 | |
| 29 | F | A | 0.0000 | |
| 30 | S | A | -0.5481 | |
| 31 | R | A | -1.1522 | |
| 32 | L | A | -0.4337 | |
| 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 | 0.0000 | |
| 39 | Q | A | 0.0000 | |
| 40 | A | A | 0.0000 | |
| 41 | P | A | 0.0000 | |
| 42 | G | A | -0.1784 | |
| 43 | Q | A | -0.3495 | |
| 44 | G | A | -0.2975 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -0.2522 | |
| 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 | 0.7875 | |
| 53 | P | A | 0.0000 | |
| 54 | I | A | 2.0610 | |
| 55 | I | A | 2.5238 | |
| 56 | G | A | 0.9129 | |
| 57 | T | A | 0.5638 | |
| 58 | A | A | -0.0231 | |
| 59 | D | A | -0.7364 | |
| 60 | Y | A | -0.9744 | |
| 61 | A | A | -1.3454 | |
| 62 | Q | A | -2.4146 | |
| 63 | K | A | -2.4999 | |
| 64 | F | A | 0.0000 | |
| 65 | Q | A | -2.3440 | |
| 66 | G | A | -1.5073 | |
| 67 | R | A | -1.2108 | |
| 68 | V | A | 0.0000 | |
| 69 | T | A | -0.8909 | |
| 70 | I | A | 0.0000 | |
| 71 | T | A | -0.4808 | |
| 72 | A | A | -0.4342 | |
| 73 | D | A | -1.4750 | |
| 74 | E | A | -1.8632 | |
| 75 | S | A | -1.2313 | |
| 76 | T | A | -1.1158 | |
| 77 | N | A | -1.5769 | |
| 78 | T | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | Y | A | -0.6316 | |
| 81 | M | A | 0.0000 | |
| 82 | E | A | -1.6285 | |
| 83 | L | A | 0.0000 | |
| 84 | S | A | -0.9577 | |
| 85 | S | A | -0.7784 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -1.1590 | |
| 88 | S | A | 0.0000 | |
| 89 | E | A | 0.0000 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | 0.0000 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.0000 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | R | A | -0.0719 | |
| 99 | D | A | 0.0000 | |
| 100 | L | A | 0.4842 | |
| 101 | S | A | -0.1596 | |
| 102 | S | A | -0.3448 | |
| 103 | G | A | -0.2494 | |
| 104 | Y | A | -0.3310 | |
| 105 | S | A | -0.3163 | |
| 106 | D | A | -0.0033 | |
| 107 | A | A | 0.0000 | |
| 108 | L | A | 0.0000 | |
| 109 | D | A | 0.1091 | |
| 110 | I | A | 0.0400 | |
| 111 | W | A | -0.0368 | |
| 112 | G | A | 0.0000 | |
| 113 | Q | A | -1.2134 | |
| 114 | G | A | -0.5862 | |
| 115 | S | A | 0.0000 | |
| 116 | V | A | -0.0067 | |
| 117 | I | A | 0.0000 | |
| 118 | T | A | 0.0000 | |
| 119 | V | A | 0.0000 | |
| 120 | S | A | 0.0000 | |
| 121 | S | A | -0.8721 | |
| 122 | A | A | -1.2047 | |
| 123 | S | A | -1.5253 | |
| 124 | T | A | -1.6668 | |
| 125 | K | A | -2.2741 | |
| 126 | G | A | -1.7462 | |
| 127 | P | A | -1.8217 | |
| 128 | E | A | -2.5261 | |
| 129 | V | A | -1.2079 | |
| 130 | Q | A | -1.4553 | |
| 131 | L | A | 0.0000 | |
| 132 | V | A | 0.1542 | |
| 133 | E | A | 0.0000 | |
| 134 | S | A | -0.3559 | |
| 135 | G | A | -0.6788 | |
| 136 | G | A | 0.2111 | |
| 137 | G | A | 0.9184 | |
| 138 | V | A | 1.6176 | |
| 139 | V | A | 0.0000 | |
| 140 | Q | A | -1.6493 | |
| 141 | P | A | -2.0235 | |
| 142 | G | A | -2.1462 | |
| 143 | R | A | -2.6388 | |
| 144 | S | A | -1.9447 | |
| 145 | L | A | -1.1363 | |
| 146 | R | A | -1.6335 | |
| 147 | L | A | 0.0000 | |
| 148 | S | A | -0.3706 | |
| 149 | C | A | 0.0000 | |
| 150 | T | A | -0.2502 | |
| 151 | A | A | 0.0000 | |
| 152 | S | A | -0.9010 | |
| 153 | G | A | -1.0446 | |
| 154 | F | A | -0.4653 | |
| 155 | A | A | -0.2608 | |
| 156 | F | A | 0.0000 | |
| 157 | G | A | -1.4442 | |
| 158 | D | A | -1.6600 | |
| 159 | Y | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 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 | -0.6383 | |
| 167 | A | A | -1.0298 | |
| 168 | P | A | -0.8228 | |
| 169 | G | A | -1.4492 | |
| 170 | K | A | -2.2723 | |
| 171 | G | A | -1.3735 | |
| 172 | L | A | 0.0000 | |
| 173 | E | A | -0.9954 | |
| 174 | W | A | 0.0000 | |
| 175 | V | A | 0.0000 | |
| 176 | G | A | 0.0000 | |
| 177 | F | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | R | A | -0.9555 | |
| 180 | S | A | 0.0000 | |
| 181 | K | A | -2.2156 | |
| 182 | T | A | -1.5051 | |
| 183 | Y | A | -1.1254 | |
| 184 | G | A | -1.2748 | |
| 185 | A | A | -1.0439 | |
| 186 | T | A | -0.6455 | |
| 187 | T | A | -0.3756 | |
| 188 | E | A | -0.7256 | |
| 189 | Y | A | -0.7045 | |
| 190 | A | A | 0.0000 | |
| 191 | A | A | -0.7845 | |
| 192 | S | A | -0.9177 | |
| 193 | V | A | 0.0000 | |
| 194 | K | A | -2.0186 | |
| 195 | G | A | -1.4663 | |
| 196 | R | A | -1.2644 | |
| 197 | F | A | 0.0000 | |
| 198 | A | A | -0.7648 | |
| 199 | I | A | 0.0000 | |
| 200 | S | A | -0.3220 | |
| 201 | R | A | -0.9410 | |
| 202 | D | A | -1.1786 | |
| 203 | D | A | -1.6470 | |
| 204 | S | A | -1.3437 | |
| 205 | K | A | -2.0344 | |
| 206 | G | A | -1.1214 | |
| 207 | I | A | -0.5461 | |
| 208 | A | A | 0.0000 | |
| 209 | Y | A | -0.3717 | |
| 210 | L | A | 0.0000 | |
| 211 | Q | A | -0.9570 | |
| 212 | M | A | 0.0000 | |
| 213 | N | A | -1.8147 | |
| 214 | S | A | -1.7770 | |
| 215 | L | A | 0.0000 | |
| 216 | R | A | -2.6561 | |
| 217 | A | A | -1.7613 | |
| 218 | E | A | -2.2855 | |
| 219 | D | A | 0.0000 | |
| 220 | T | A | -0.3630 | |
| 221 | A | A | 0.0000 | |
| 222 | V | A | 0.7616 | |
| 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 | 0.0000 | |
| 229 | I | A | 0.0000 | |
| 230 | T | A | 0.0000 | |
| 231 | G | A | 0.0000 | |
| 232 | Y | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | G | A | 0.0000 | |
| 235 | Y | A | 0.0000 | |
| 236 | D | A | -0.3194 | |
| 237 | Y | A | 0.0806 | |
| 238 | W | A | -0.3523 | |
| 239 | G | A | 0.0000 | |
| 240 | Q | A | -1.3341 | |
| 241 | G | A | 0.0000 | |
| 242 | T | A | 0.4956 | |
| 243 | L | A | 1.6153 | |
| 244 | V | A | 0.0000 | |
| 245 | T | A | 0.4028 | |
| 246 | V | A | 0.0000 | |
| 247 | S | A | -0.6318 | |
| 248 | S | A | -0.6249 | |
| 1 | S | B | -0.7390 | |
| 2 | Y | B | -1.1019 | |
| 3 | E | B | -2.0812 | |
| 4 | L | B | 0.0000 | |
| 5 | T | B | -0.6288 | |
| 6 | Q | B | 0.0000 | |
| 7 | P | B | -0.2628 | |
| 8 | P | B | -0.4041 | |
| 9 | S | B | -0.3685 | |
| 10 | V | B | -0.1016 | |
| 11 | S | B | 0.1085 | |
| 12 | V | B | 0.0000 | |
| 13 | S | B | -0.9067 | |
| 14 | P | B | -1.1989 | |
| 15 | G | B | -1.4089 | |
| 16 | Q | B | -1.6544 | |
| 17 | T | B | -1.0458 | |
| 18 | A | B | 0.0000 | |
| 19 | S | B | -0.3701 | |
| 20 | I | B | 0.0000 | |
| 21 | T | B | -0.1900 | |
| 22 | C | B | 0.0000 | |
| 23 | S | B | -1.3343 | |
| 24 | G | B | -2.0090 | |
| 25 | D | B | -2.9024 | |
| 26 | A | B | -2.2188 | |
| 27 | L | B | 0.0000 | |
| 28 | G | B | -2.0105 | |
| 29 | D | B | -2.3925 | |
| 30 | R | B | -1.5083 | |
| 31 | Y | B | 0.2696 | |
| 32 | A | B | 0.0000 | |
| 33 | C | B | 0.0000 | |
| 34 | W | B | 0.0000 | |
| 35 | Y | B | 0.0000 | |
| 36 | Q | B | 0.0245 | |
| 37 | Q | B | 0.0000 | |
| 38 | K | B | -0.7890 | |
| 39 | P | B | -0.9344 | |
| 40 | G | B | -1.2936 | |
| 41 | Q | B | -1.4845 | |
| 42 | S | B | -0.7258 | |
| 43 | P | B | 0.0000 | |
| 44 | V | B | 1.0506 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | I | B | 0.0000 | |
| 48 | Y | B | -0.5225 | |
| 49 | Q | B | -0.5477 | |
| 50 | D | B | -0.7260 | |
| 51 | T | B | -1.1142 | |
| 52 | K | B | -2.0249 | |
| 53 | R | B | -2.0395 | |
| 54 | P | B | -0.8542 | |
| 55 | S | B | -0.7514 | |
| 56 | G | B | -0.8234 | |
| 57 | I | B | -0.6236 | |
| 58 | P | B | -1.2363 | |
| 59 | E | B | -2.2195 | |
| 60 | R | B | -1.4529 | |
| 61 | F | B | 0.0000 | |
| 62 | S | B | -1.1772 | |
| 63 | G | B | -0.8018 | |
| 64 | S | B | -0.7295 | |
| 65 | N | B | -1.0378 | |
| 66 | S | B | -1.3929 | |
| 67 | G | B | -1.9971 | |
| 68 | N | B | -2.5989 | |
| 69 | T | B | -1.3218 | |
| 70 | A | B | 0.0000 | |
| 71 | T | B | -0.3369 | |
| 72 | L | B | 0.0000 | |
| 73 | T | B | -0.3525 | |
| 74 | I | B | 0.0000 | |
| 75 | S | B | -1.2294 | |
| 76 | G | B | -1.2533 | |
| 77 | T | B | 0.0000 | |
| 78 | Q | B | -0.9816 | |
| 79 | A | B | -0.1278 | |
| 80 | M | B | 0.6636 | |
| 81 | D | B | 0.0000 | |
| 82 | E | B | -0.1805 | |
| 83 | A | B | 0.0000 | |
| 84 | D | B | 0.0000 | |
| 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 | 0.0000 | |
| 92 | R | B | -1.9114 | |
| 93 | S | B | -1.0393 | |
| 94 | T | B | -0.7383 | |
| 95 | G | B | 0.0000 | |
| 96 | V | B | -0.3772 | |
| 97 | F | B | -0.1480 | |
| 98 | G | B | 0.0000 | |
| 99 | T | B | -0.4645 | |
| 100 | G | B | -0.2867 | |
| 101 | T | B | 0.0000 | |
| 102 | K | B | -0.4799 | |
| 103 | V | B | 0.0000 | |
| 104 | T | B | -0.1258 | |
| 105 | V | B | 0.0000 | |
| 106 | L | B | 0.6952 | |
| 107 | R | B | 0.1589 | |
| 108 | T | B | 0.5386 | |
| 109 | V | B | 1.3286 | |
| 110 | A | B | 0.5413 | |
| 111 | A | B | 0.7039 | |
| 112 | P | B | 0.6200 | |
| 113 | S | B | 1.5601 | |
| 114 | V | B | 3.2187 | |
| 115 | F | B | 3.6807 | |
| 116 | I | B | 3.4407 | |
| 117 | F | B | 1.8221 | |
| 118 | P | B | 0.4879 | |
| 119 | P | B | -0.3747 | |
| 120 | D | B | -0.9138 | |
| 121 | I | B | 0.0000 | |
| 122 | Q | B | -1.0617 | |
| 123 | M | B | 0.0000 | |
| 124 | T | B | -0.9129 | |
| 125 | Q | B | -0.8244 | |
| 126 | S | B | -0.5083 | |
| 127 | P | B | -0.4181 | |
| 128 | S | B | -0.5339 | |
| 129 | T | B | -0.5609 | |
| 130 | L | B | -0.4912 | |
| 131 | S | B | -0.9074 | |
| 132 | A | B | 0.0000 | |
| 133 | S | B | -0.4305 | |
| 134 | V | B | 0.4674 | |
| 135 | G | B | -0.5543 | |
| 136 | D | B | -1.4548 | |
| 137 | R | B | -2.2162 | |
| 138 | V | B | 0.0000 | |
| 139 | T | B | -0.6040 | |
| 140 | I | B | 0.0000 | |
| 141 | T | B | -0.7584 | |
| 142 | C | B | 0.0000 | |
| 143 | R | B | -1.7074 | |
| 144 | A | B | 0.0000 | |
| 145 | S | B | -0.8249 | |
| 146 | Y | B | 0.0000 | |
| 147 | S | B | -0.8227 | |
| 148 | V | B | 0.0000 | |
| 149 | S | B | 0.0000 | |
| 150 | P | B | -0.3349 | |
| 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 | -1.7710 | |
| 159 | P | B | -1.2202 | |
| 160 | G | B | -1.7417 | |
| 161 | K | B | -2.6563 | |
| 162 | A | B | -1.6192 | |
| 163 | P | B | 0.0000 | |
| 164 | K | B | -1.4207 | |
| 165 | L | B | 0.0000 | |
| 166 | L | B | 0.0000 | |
| 167 | I | B | 0.0000 | |
| 168 | Y | B | 0.0000 | |
| 169 | A | B | -0.0079 | |
| 170 | A | B | 0.0000 | |
| 171 | S | B | -0.3278 | |
| 172 | S | B | -0.0718 | |
| 173 | L | B | -0.2140 | |
| 174 | Q | B | -1.1589 | |
| 175 | R | B | -2.1214 | |
| 176 | G | B | -1.3937 | |
| 177 | V | B | 0.0000 | |
| 178 | P | B | -0.7123 | |
| 179 | S | B | -0.6772 | |
| 180 | R | B | -0.7946 | |
| 181 | F | B | 0.0000 | |
| 182 | S | B | -0.3583 | |
| 183 | G | B | -0.3142 | |
| 184 | S | B | -0.8429 | |
| 185 | G | B | -1.3002 | |
| 186 | S | B | -1.2297 | |
| 187 | G | B | -1.2327 | |
| 188 | T | B | -1.3997 | |
| 189 | E | B | -2.3904 | |
| 190 | F | B | 0.0000 | |
| 191 | T | B | -0.8222 | |
| 192 | L | B | 0.0000 | |
| 193 | T | B | -0.6137 | |
| 194 | I | B | 0.0000 | |
| 195 | S | B | -1.3058 | |
| 196 | S | B | -1.0564 | |
| 197 | L | B | 0.0000 | |
| 198 | Q | B | -0.5380 | |
| 199 | A | B | -0.5163 | |
| 200 | E | B | -1.6150 | |
| 201 | D | B | 0.0000 | |
| 202 | V | B | -0.5289 | |
| 203 | A | B | 0.0000 | |
| 204 | V | B | -0.2347 | |
| 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 | 0.0000 | |
| 211 | Y | B | -0.0663 | |
| 212 | S | B | -0.2427 | |
| 213 | A | B | -0.2804 | |
| 214 | P | B | -0.2860 | |
| 215 | L | B | 0.0000 | |
| 216 | T | B | -0.3941 | |
| 217 | F | B | -0.2800 | |
| 218 | G | B | 0.0000 | |
| 219 | G | B | -1.0602 | |
| 220 | G | B | -0.6967 | |
| 221 | T | B | 0.0000 | |
| 222 | K | B | -0.8544 | |
| 223 | V | B | 0.0000 | |
| 224 | E | B | -0.8453 | |
| 225 | I | B | -0.5246 | |
| 226 | K | B | -1.4033 |
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