| Chain sequence(s) |
A: DIQMTQSPSSLSASVGDRVTITCRASKDISKYLNWYQQKPGKAPKLLIYYTSGYHSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQGDALPPTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYYMSWVRQAPGKGLEWVSAISLSGGSTYYAASHKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCVREVGASTHNYYGMDVWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT 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] (00:00:09)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:09)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:09)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:09)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:09)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:24)
[INFO] Main: Simulation completed successfully. (00:04:27)
|
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 | D | A | -2.0358 | |
| 2 | I | A | 0.0000 | |
| 3 | Q | A | -2.3634 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -1.3616 | |
| 6 | Q | A | -1.0436 | |
| 7 | S | A | -0.7604 | |
| 8 | P | A | -0.5356 | |
| 9 | S | A | -0.6626 | |
| 10 | S | A | -0.5105 | |
| 11 | L | A | -0.3748 | |
| 12 | S | A | -0.8544 | |
| 13 | A | A | 0.0000 | |
| 14 | S | A | -1.0257 | |
| 15 | V | A | -0.1979 | |
| 16 | G | A | -0.8965 | |
| 17 | D | A | -2.0166 | |
| 18 | R | A | -2.3658 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.6395 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.8487 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.9722 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -2.5865 | |
| 27 | K | A | -3.5795 | |
| 28 | D | A | -3.3473 | |
| 29 | I | A | 0.0000 | |
| 30 | S | A | -1.5863 | |
| 31 | K | A | -1.2219 | |
| 32 | Y | A | -0.7340 | |
| 33 | L | A | 0.0000 | |
| 34 | N | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | Q | A | -1.3037 | |
| 39 | K | A | -1.8929 | |
| 40 | P | A | -1.4670 | |
| 41 | G | A | -1.8072 | |
| 42 | K | A | -2.5656 | |
| 43 | A | A | -1.6595 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -1.6582 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | 0.4845 | |
| 50 | Y | A | 0.2701 | |
| 51 | T | A | 0.0000 | |
| 52 | S | A | -0.0078 | |
| 53 | G | A | 0.4211 | |
| 54 | Y | A | 0.6696 | |
| 55 | H | A | -0.0805 | |
| 56 | S | A | -0.2982 | |
| 57 | G | A | -0.4321 | |
| 58 | V | A | -0.2139 | |
| 59 | P | A | -0.2934 | |
| 60 | S | A | -0.3469 | |
| 61 | R | A | -0.7655 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -0.2106 | |
| 64 | G | A | 0.0000 | |
| 65 | S | A | -0.5818 | |
| 66 | G | A | -1.0524 | |
| 67 | S | A | -1.3304 | |
| 68 | G | A | -1.9804 | |
| 69 | T | A | -2.4263 | |
| 70 | D | A | -2.3205 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.6939 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.5751 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.3539 | |
| 77 | S | A | -1.2300 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -0.9933 | |
| 80 | P | A | -1.5395 | |
| 81 | E | A | -2.0777 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | -1.0410 | |
| 84 | A | A | 0.0000 | |
| 85 | T | A | -0.6085 | |
| 86 | Y | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | Q | A | 0.0000 | |
| 90 | Q | A | 0.0000 | |
| 91 | G | A | -0.1395 | |
| 92 | D | A | -1.3551 | |
| 93 | A | A | -0.2396 | |
| 94 | L | A | 1.0728 | |
| 95 | P | A | 0.4246 | |
| 96 | P | A | 0.0000 | |
| 97 | T | A | -0.5940 | |
| 98 | F | A | -0.3350 | |
| 99 | G | A | 0.0000 | |
| 100 | G | A | -1.1613 | |
| 101 | G | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -0.9554 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | 0.0000 | |
| 106 | I | A | 0.0000 | |
| 107 | K | A | -1.7770 | |
| 108 | R | A | -1.0959 | |
| 109 | T | A | -0.2295 | |
| 110 | V | A | 0.3098 | |
| 111 | A | A | 0.0201 | |
| 112 | A | A | -0.1072 | |
| 113 | P | A | 0.0000 | |
| 114 | S | A | -0.1934 | |
| 115 | V | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | P | A | -0.5720 | |
| 120 | P | A | 0.0000 | |
| 121 | S | A | -1.6248 | |
| 122 | D | A | -2.8329 | |
| 123 | E | A | -2.4022 | |
| 124 | Q | A | 0.0000 | |
| 125 | L | A | -2.1290 | |
| 126 | K | A | -2.6696 | |
| 127 | S | A | -1.6546 | |
| 128 | G | A | -1.1957 | |
| 129 | T | A | -0.9083 | |
| 130 | A | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | C | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | N | A | 0.0000 | |
| 138 | N | A | -0.7769 | |
| 139 | F | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | P | A | -1.4469 | |
| 142 | R | A | -2.1357 | |
| 143 | E | A | -2.8183 | |
| 144 | A | A | -2.0797 | |
| 145 | K | A | -2.2601 | |
| 146 | V | A | -1.0277 | |
| 147 | Q | A | -0.5654 | |
| 148 | W | A | 0.0000 | |
| 149 | K | A | -0.5870 | |
| 150 | V | A | 0.0000 | |
| 151 | D | A | -1.8880 | |
| 152 | N | A | -1.5177 | |
| 153 | A | A | -0.2605 | |
| 154 | L | A | 0.6937 | |
| 155 | Q | A | -0.3134 | |
| 156 | S | A | -0.6677 | |
| 157 | G | A | -1.2952 | |
| 158 | N | A | -1.6356 | |
| 159 | S | A | -1.4130 | |
| 160 | Q | A | -1.3175 | |
| 161 | E | A | -1.3216 | |
| 162 | S | A | -0.5553 | |
| 163 | V | A | -0.1459 | |
| 164 | T | A | 0.0000 | |
| 165 | E | A | -2.0272 | |
| 166 | Q | A | 0.0000 | |
| 167 | D | A | -1.8253 | |
| 168 | S | A | -2.0078 | |
| 169 | K | A | -2.4391 | |
| 170 | D | A | -1.6798 | |
| 171 | S | A | -1.7526 | |
| 172 | T | A | 0.0000 | |
| 173 | Y | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | T | A | -0.6557 | |
| 179 | L | A | 0.0000 | |
| 180 | T | A | -0.6161 | |
| 181 | L | A | -0.7311 | |
| 182 | S | A | -0.9273 | |
| 183 | K | A | -1.9578 | |
| 184 | A | A | -1.7350 | |
| 185 | D | A | -2.2114 | |
| 186 | Y | A | 0.0000 | |
| 187 | E | A | -3.5055 | |
| 188 | K | A | -3.5518 | |
| 189 | H | A | -2.9504 | |
| 190 | K | A | -3.2704 | |
| 191 | V | A | -1.4453 | |
| 192 | Y | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | C | A | 0.0000 | |
| 195 | E | A | -0.6677 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | -1.1907 | |
| 198 | H | A | 0.0000 | |
| 199 | Q | A | -1.6622 | |
| 200 | G | A | -0.4259 | |
| 201 | L | A | -0.2402 | |
| 202 | S | A | -0.4557 | |
| 203 | S | A | -0.4302 | |
| 204 | P | A | -0.5511 | |
| 205 | V | A | 0.0486 | |
| 206 | T | A | -0.4045 | |
| 207 | K | A | -0.7712 | |
| 208 | S | A | -0.6923 | |
| 209 | F | A | 0.0000 | |
| 210 | N | A | -1.8172 | |
| 211 | R | A | -2.4796 | |
| 212 | G | A | -1.9534 | |
| 213 | E | A | -2.1332 | |
| 214 | C | A | -1.2535 | |
| 1 | E | B | -2.0238 | |
| 2 | V | B | -1.0460 | |
| 3 | Q | B | -1.1060 | |
| 4 | L | B | 0.0000 | |
| 5 | L | B | 0.7198 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.4644 | |
| 8 | G | B | -0.9195 | |
| 9 | G | B | -0.5700 | |
| 10 | G | B | -0.3585 | |
| 11 | L | B | -0.1293 | |
| 12 | V | B | 0.0000 | |
| 13 | Q | B | -1.7436 | |
| 14 | P | B | -1.9604 | |
| 15 | G | B | -1.6135 | |
| 16 | G | B | 0.0000 | |
| 17 | S | B | -1.4011 | |
| 18 | L | B | -1.2083 | |
| 19 | R | B | -2.1062 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.4484 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.2125 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.9516 | |
| 26 | G | B | -1.1481 | |
| 27 | F | B | -0.4492 | |
| 28 | T | B | -0.2049 | |
| 29 | F | B | 0.0000 | |
| 30 | S | B | -0.3704 | |
| 31 | S | B | -0.0072 | |
| 32 | Y | B | 0.4212 | |
| 33 | Y | B | 0.3920 | |
| 34 | M | B | 0.0000 | |
| 35 | S | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | -0.5572 | |
| 39 | Q | B | -0.8714 | |
| 40 | A | B | -1.2154 | |
| 41 | P | B | -0.9923 | |
| 42 | G | B | -1.4501 | |
| 43 | K | B | -2.2825 | |
| 44 | G | B | -1.4313 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.9723 | |
| 47 | W | B | 0.0000 | |
| 48 | V | B | 0.0000 | |
| 49 | S | B | 0.0000 | |
| 50 | A | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | S | B | 0.0000 | |
| 53 | L | B | 0.1578 | |
| 54 | S | B | -0.4138 | |
| 55 | G | B | -0.5749 | |
| 56 | G | B | -0.6054 | |
| 57 | S | B | -0.2429 | |
| 58 | T | B | 0.0812 | |
| 59 | Y | B | 0.8360 | |
| 60 | Y | B | 0.3884 | |
| 61 | A | B | 0.0000 | |
| 62 | A | B | -0.7250 | |
| 63 | S | B | -0.7436 | |
| 64 | H | B | 0.0000 | |
| 65 | K | B | -2.0075 | |
| 66 | G | B | -1.5121 | |
| 67 | R | B | -1.4168 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -0.5205 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.4749 | |
| 72 | R | B | -1.0114 | |
| 73 | D | B | -1.6577 | |
| 74 | N | B | -1.7028 | |
| 75 | S | B | -1.6254 | |
| 76 | K | B | -2.4183 | |
| 77 | N | B | -1.7941 | |
| 78 | T | B | -1.0713 | |
| 79 | L | B | 0.0000 | |
| 80 | Y | B | -0.5225 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.2325 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -1.6351 | |
| 85 | S | B | -1.4763 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -2.9386 | |
| 88 | A | B | -2.0169 | |
| 89 | E | B | -2.4240 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.8867 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.1268 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | V | B | 0.0000 | |
| 98 | R | B | 0.0000 | |
| 99 | E | B | 0.0000 | |
| 100 | V | B | 0.1693 | |
| 101 | G | B | -0.4736 | |
| 102 | A | B | -0.2991 | |
| 103 | S | B | -0.5257 | |
| 104 | T | B | -0.9680 | |
| 105 | H | B | -1.6762 | |
| 106 | N | B | -1.4567 | |
| 107 | Y | B | -0.5809 | |
| 108 | Y | B | 0.2114 | |
| 109 | G | B | 0.0000 | |
| 110 | M | B | 0.0000 | |
| 111 | D | B | -0.2700 | |
| 112 | V | B | -0.2474 | |
| 113 | W | B | -0.4909 | |
| 114 | G | B | 0.0000 | |
| 115 | Q | B | -1.3284 | |
| 116 | G | B | 0.0000 | |
| 117 | T | B | -0.1112 | |
| 118 | M | B | -0.0689 | |
| 119 | V | B | 0.0000 | |
| 120 | T | B | 0.0000 | |
| 121 | V | B | 0.0000 | |
| 122 | S | B | -1.0892 | |
| 123 | S | B | -0.7236 | |
| 124 | A | B | -0.4817 | |
| 125 | S | B | -0.5875 | |
| 126 | T | B | -0.5889 | |
| 127 | K | B | -1.1448 | |
| 128 | G | B | -1.2783 | |
| 129 | P | B | 0.0000 | |
| 130 | S | B | -0.3430 | |
| 131 | V | B | 0.0000 | |
| 132 | F | B | 0.0000 | |
| 133 | P | B | -1.2244 | |
| 134 | L | B | 0.0000 | |
| 135 | A | B | -1.2377 | |
| 136 | P | B | 0.0000 | |
| 137 | S | B | -0.9979 | |
| 138 | S | B | -0.6180 | |
| 139 | K | B | -1.1078 | |
| 140 | S | B | 0.0000 | |
| 141 | T | B | -0.7243 | |
| 142 | S | B | -0.7260 | |
| 143 | G | B | -0.8044 | |
| 144 | G | B | -0.8698 | |
| 145 | T | B | -0.6065 | |
| 146 | A | B | 0.0000 | |
| 147 | A | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | G | B | 0.0000 | |
| 150 | C | B | 0.0000 | |
| 151 | L | B | 0.0000 | |
| 152 | V | B | 0.0000 | |
| 153 | K | B | 0.0000 | |
| 154 | D | B | -0.3123 | |
| 155 | Y | B | 0.0000 | |
| 156 | F | B | 0.0000 | |
| 157 | P | B | 0.0000 | |
| 158 | E | B | -0.4737 | |
| 159 | P | B | -0.7082 | |
| 160 | V | B | -0.6350 | |
| 161 | T | B | -0.5346 | |
| 162 | V | B | -0.1236 | |
| 163 | S | B | -0.3632 | |
| 164 | W | B | 0.0000 | |
| 165 | N | B | -0.7630 | |
| 166 | S | B | -0.6546 | |
| 167 | G | B | -0.4782 | |
| 168 | A | B | -0.2170 | |
| 169 | L | B | 0.0230 | |
| 170 | T | B | -0.1579 | |
| 171 | S | B | -0.1746 | |
| 172 | G | B | -0.2087 | |
| 173 | V | B | 0.1772 | |
| 174 | H | B | -0.2629 | |
| 175 | T | B | -0.0996 | |
| 176 | F | B | 0.0000 | |
| 177 | P | B | -0.2123 | |
| 178 | A | B | 0.3012 | |
| 179 | V | B | 0.5588 | |
| 180 | L | B | 1.2063 | |
| 181 | Q | B | 0.3181 | |
| 182 | S | B | -0.0479 | |
| 183 | S | B | -0.1812 | |
| 184 | G | B | 0.0669 | |
| 185 | L | B | 0.1773 | |
| 186 | Y | B | 0.4890 | |
| 187 | S | B | 0.0000 | |
| 188 | L | B | 0.0000 | |
| 189 | S | B | 0.0000 | |
| 190 | S | B | 0.0000 | |
| 191 | V | B | 0.0000 | |
| 192 | V | B | 0.0000 | |
| 193 | T | B | -0.1361 | |
| 194 | V | B | 0.0000 | |
| 195 | P | B | -0.5966 | |
| 196 | S | B | -0.5535 | |
| 197 | S | B | -0.5588 | |
| 198 | S | B | -0.5320 | |
| 199 | L | B | -0.7328 | |
| 200 | G | B | -0.9195 | |
| 201 | T | B | -0.6518 | |
| 202 | Q | B | -1.0968 | |
| 203 | T | B | -1.0738 | |
| 204 | Y | B | 0.0000 | |
| 205 | I | B | -1.3163 | |
| 206 | C | B | 0.0000 | |
| 207 | N | B | -1.4496 | |
| 208 | V | B | 0.0000 | |
| 209 | N | B | -1.8296 | |
| 210 | H | B | 0.0000 | |
| 211 | K | B | -2.7259 | |
| 212 | P | B | -1.5817 | |
| 213 | S | B | -1.8226 | |
| 214 | N | B | -2.5633 | |
| 215 | T | B | -2.0182 | |
| 216 | K | B | -2.6541 | |
| 217 | V | B | -1.5582 | |
| 218 | D | B | -2.5111 | |
| 219 | K | B | -2.1557 | |
| 220 | K | B | -2.5423 | |
| 221 | V | B | 0.0000 | |
| 222 | E | B | -2.8719 | |
| 223 | P | B | -1.9223 | |
| 224 | K | B | -2.5683 | |
| 225 | S | B | -1.8753 | |
| 226 | C | B | -1.7750 | |
| 227 | D | B | -2.8818 | |
| 228 | K | B | -2.7642 | |
| 229 | T | B | -1.9362 | |
| 230 | H | B | -1.8953 | |
| 231 | T | B | -1.1725 |
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