| Chain sequence(s) |
A: QVQLVESGGGVVQPGRSLRLSCAASGFTFSNYGMHWVRQAPGEGLEWVAAIWFDASDKYYADAVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDQAIFGVVPDYYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK
B: EIVMTQSPATLSVSPGERATLSCRASQSVSSNLAWYQQKPGQAPRLLIYGAATRATGIPARVSGSGSGTEFTLTISSLQSEDFAVYYCQQYNNWPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:00)
[INFO] Main: Simulation completed successfully. (00:05:03)
|
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 | -1.4009 | |
| 2 | V | A | -0.7072 | |
| 3 | Q | A | -1.1690 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 0.4088 | |
| 6 | E | A | 0.0000 | |
| 7 | S | A | -0.3676 | |
| 8 | G | A | -0.8183 | |
| 9 | G | A | -0.4182 | |
| 10 | G | A | 0.1219 | |
| 11 | V | A | 0.4658 | |
| 12 | V | A | 0.0000 | |
| 13 | Q | A | -1.7656 | |
| 14 | P | A | -2.0812 | |
| 15 | G | A | -2.1845 | |
| 16 | R | A | -2.7885 | |
| 17 | S | A | -2.0186 | |
| 18 | L | A | -1.4665 | |
| 19 | R | A | -2.0940 | |
| 20 | L | A | 0.0000 | |
| 21 | S | A | -0.4955 | |
| 22 | C | A | 0.0000 | |
| 23 | A | A | -0.3411 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -0.7365 | |
| 26 | G | A | -0.8579 | |
| 27 | F | A | -0.4988 | |
| 28 | T | A | -0.5261 | |
| 29 | F | A | 0.0000 | |
| 30 | S | A | -1.3420 | |
| 31 | N | A | -1.1813 | |
| 32 | Y | A | -0.0805 | |
| 33 | G | A | 0.0000 | |
| 34 | M | A | 0.0000 | |
| 35 | H | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -0.8432 | |
| 40 | A | A | -1.2055 | |
| 41 | P | A | -0.9895 | |
| 42 | G | A | -1.5828 | |
| 43 | E | A | -2.4020 | |
| 44 | G | A | -1.4710 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -1.0518 | |
| 47 | W | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | W | A | -0.1695 | |
| 53 | F | A | -0.3093 | |
| 54 | D | A | -1.6395 | |
| 55 | A | A | -1.1573 | |
| 56 | S | A | -1.1292 | |
| 57 | D | A | -1.5879 | |
| 58 | K | A | -1.0051 | |
| 59 | Y | A | -0.5921 | |
| 60 | Y | A | -0.9308 | |
| 61 | A | A | 0.0000 | |
| 62 | D | A | -2.6323 | |
| 63 | A | A | -1.4384 | |
| 64 | V | A | 0.0000 | |
| 65 | K | A | -2.5259 | |
| 66 | G | A | -1.7475 | |
| 67 | R | A | -1.3080 | |
| 68 | F | A | 0.0000 | |
| 69 | T | A | -0.9586 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.7639 | |
| 72 | R | A | -1.2024 | |
| 73 | D | A | -2.0128 | |
| 74 | N | A | -2.2256 | |
| 75 | S | A | -1.7733 | |
| 76 | K | A | -2.5585 | |
| 77 | N | A | -2.0147 | |
| 78 | T | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | Y | A | -0.6245 | |
| 81 | L | A | 0.0000 | |
| 82 | Q | A | -1.3131 | |
| 83 | M | A | 0.0000 | |
| 84 | N | A | -1.9714 | |
| 85 | S | A | -1.6475 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -2.3483 | |
| 88 | A | A | -1.6308 | |
| 89 | E | A | -2.1790 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.6162 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.2159 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | R | A | 0.0000 | |
| 99 | D | A | 0.0000 | |
| 100 | Q | A | 0.0707 | |
| 101 | A | A | 0.3471 | |
| 102 | I | A | 0.7546 | |
| 103 | F | A | 0.8782 | |
| 104 | G | A | 0.0000 | |
| 105 | V | A | 0.3026 | |
| 106 | V | A | 0.0000 | |
| 107 | P | A | 0.0000 | |
| 108 | D | A | 0.0000 | |
| 109 | Y | A | 0.4399 | |
| 110 | W | A | -0.0964 | |
| 111 | G | A | 0.0000 | |
| 112 | Q | A | -1.3896 | |
| 113 | G | A | -0.4726 | |
| 114 | T | A | -0.0637 | |
| 115 | L | A | 0.3398 | |
| 116 | V | A | 0.0000 | |
| 117 | T | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | S | A | -0.7720 | |
| 120 | S | A | -0.5957 | |
| 121 | A | A | -0.3879 | |
| 122 | S | A | -0.4887 | |
| 123 | T | A | -0.5312 | |
| 124 | K | A | -1.1348 | |
| 125 | G | A | -1.3695 | |
| 126 | P | A | 0.0000 | |
| 127 | S | A | -0.4580 | |
| 128 | V | A | 0.0000 | |
| 129 | F | A | 0.0000 | |
| 130 | P | A | -1.3305 | |
| 131 | L | A | 0.0000 | |
| 132 | A | A | -1.3604 | |
| 133 | P | A | 0.0000 | |
| 134 | S | A | -1.1640 | |
| 135 | S | A | -0.8196 | |
| 136 | K | A | -1.3273 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | -0.7698 | |
| 139 | S | A | -0.7735 | |
| 140 | G | A | -0.8128 | |
| 141 | G | A | -0.9001 | |
| 142 | T | A | -0.5912 | |
| 143 | A | A | 0.0000 | |
| 144 | A | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | C | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | K | A | -0.3249 | |
| 151 | D | A | -0.4426 | |
| 152 | Y | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | E | A | -0.4076 | |
| 156 | P | A | -0.7409 | |
| 157 | V | A | -0.7111 | |
| 158 | T | A | -0.6005 | |
| 159 | V | A | -0.2097 | |
| 160 | S | A | -0.4305 | |
| 161 | W | A | 0.0000 | |
| 162 | N | A | -0.7893 | |
| 163 | S | A | -0.6959 | |
| 164 | G | A | -0.5406 | |
| 165 | A | A | -0.2581 | |
| 166 | L | A | -0.0685 | |
| 167 | T | A | -0.2144 | |
| 168 | S | A | -0.2365 | |
| 169 | G | A | -0.3063 | |
| 170 | V | A | 0.0582 | |
| 171 | H | A | -0.2329 | |
| 172 | T | A | -0.0049 | |
| 173 | F | A | 0.0000 | |
| 174 | P | A | -0.3223 | |
| 175 | A | A | 0.1684 | |
| 176 | V | A | 0.5096 | |
| 177 | L | A | 1.3849 | |
| 178 | Q | A | 0.3273 | |
| 179 | S | A | -0.0070 | |
| 180 | S | A | -0.1631 | |
| 181 | G | A | 0.0725 | |
| 182 | L | A | 0.1388 | |
| 183 | Y | A | 0.4607 | |
| 184 | S | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | T | A | -0.1819 | |
| 191 | V | A | 0.0000 | |
| 192 | P | A | -0.6159 | |
| 193 | S | A | -0.6021 | |
| 194 | S | A | -0.5650 | |
| 195 | S | A | -0.5642 | |
| 196 | L | A | -0.7164 | |
| 197 | G | A | -0.8980 | |
| 198 | T | A | -0.6465 | |
| 199 | Q | A | -1.0880 | |
| 200 | T | A | -1.0562 | |
| 201 | Y | A | 0.0000 | |
| 202 | I | A | -1.3781 | |
| 203 | C | A | 0.0000 | |
| 204 | N | A | -1.5122 | |
| 205 | V | A | 0.0000 | |
| 206 | N | A | -2.0056 | |
| 207 | H | A | 0.0000 | |
| 208 | K | A | -2.7485 | |
| 209 | P | A | -1.5454 | |
| 210 | S | A | -1.8136 | |
| 211 | N | A | -2.5727 | |
| 212 | T | A | -2.0745 | |
| 213 | K | A | -2.6869 | |
| 214 | V | A | -1.5427 | |
| 215 | D | A | -2.5099 | |
| 216 | K | A | -2.1490 | |
| 217 | K | A | -2.5153 | |
| 218 | V | A | 0.0000 | |
| 219 | E | A | -2.8468 | |
| 220 | P | A | -1.9532 | |
| 221 | K | A | -2.4614 | |
| 1 | E | B | -1.8218 | |
| 2 | I | B | -0.4083 | |
| 3 | V | B | 0.7954 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -0.5441 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.5516 | |
| 8 | P | B | -0.2078 | |
| 9 | A | B | -0.1723 | |
| 10 | T | B | -0.0825 | |
| 11 | L | B | -0.0441 | |
| 12 | S | B | -0.5582 | |
| 13 | V | B | 0.0000 | |
| 14 | S | B | -1.7412 | |
| 15 | P | B | -1.7937 | |
| 16 | G | B | -1.9853 | |
| 17 | E | B | -2.8397 | |
| 18 | R | B | -2.8140 | |
| 19 | A | B | 0.0000 | |
| 20 | T | B | -0.5427 | |
| 21 | L | B | 0.0000 | |
| 22 | S | B | -0.9203 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -2.4250 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -1.0337 | |
| 27 | Q | B | -1.7710 | |
| 28 | S | B | -1.5252 | |
| 29 | V | B | 0.0000 | |
| 30 | S | B | -1.0113 | |
| 31 | S | B | -0.8157 | |
| 32 | N | B | -0.7953 | |
| 33 | L | B | 0.0000 | |
| 34 | A | B | 0.0000 | |
| 35 | W | B | 0.0000 | |
| 36 | Y | B | 0.0000 | |
| 37 | Q | B | 0.0000 | |
| 38 | Q | B | 0.0000 | |
| 39 | K | B | -1.2906 | |
| 40 | P | B | -1.2319 | |
| 41 | G | B | -1.4038 | |
| 42 | Q | B | -1.9189 | |
| 43 | A | B | -1.1907 | |
| 44 | P | B | 0.0000 | |
| 45 | R | B | -0.7155 | |
| 46 | L | B | 0.0000 | |
| 47 | L | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | Y | B | -0.0495 | |
| 50 | G | B | -0.3306 | |
| 51 | A | B | 0.0000 | |
| 52 | A | B | -0.3505 | |
| 53 | T | B | -0.4045 | |
| 54 | R | B | -0.8875 | |
| 55 | A | B | -0.5866 | |
| 56 | T | B | -0.5135 | |
| 57 | G | B | -0.6485 | |
| 58 | I | B | 0.0000 | |
| 59 | P | B | -0.4954 | |
| 60 | A | B | -0.4415 | |
| 61 | R | B | -0.7542 | |
| 62 | V | B | 0.0000 | |
| 63 | S | B | -0.5081 | |
| 64 | G | B | -0.3529 | |
| 65 | S | B | -0.6463 | |
| 66 | G | B | -1.2229 | |
| 67 | S | B | -1.0894 | |
| 68 | G | B | -1.4384 | |
| 69 | T | B | -2.0788 | |
| 70 | E | B | -2.8725 | |
| 71 | F | B | 0.0000 | |
| 72 | T | B | -0.8349 | |
| 73 | L | B | 0.0000 | |
| 74 | T | B | -0.6175 | |
| 75 | I | B | 0.0000 | |
| 76 | S | B | -1.5194 | |
| 77 | S | B | -1.8830 | |
| 78 | L | B | 0.0000 | |
| 79 | Q | B | -2.1054 | |
| 80 | S | B | -1.6609 | |
| 81 | E | B | -2.2398 | |
| 82 | D | B | 0.0000 | |
| 83 | F | B | -0.7082 | |
| 84 | A | B | 0.0000 | |
| 85 | V | B | -0.0939 | |
| 86 | Y | B | 0.0000 | |
| 87 | Y | B | 0.0000 | |
| 88 | C | B | 0.0000 | |
| 89 | Q | B | 0.0000 | |
| 90 | Q | B | 0.0000 | |
| 91 | Y | B | -0.4826 | |
| 92 | N | B | -1.3562 | |
| 93 | N | B | -1.5824 | |
| 94 | W | B | -0.7974 | |
| 95 | P | B | -0.8670 | |
| 96 | L | B | 0.0000 | |
| 97 | T | B | -0.1682 | |
| 98 | F | B | 0.1857 | |
| 99 | G | B | 0.0000 | |
| 100 | G | B | -0.7137 | |
| 101 | G | B | -0.5985 | |
| 102 | T | B | 0.0000 | |
| 103 | K | B | -0.3357 | |
| 104 | V | B | 0.0000 | |
| 105 | E | B | 0.0000 | |
| 106 | I | B | -0.8865 | |
| 107 | K | B | -1.5160 | |
| 108 | R | B | -1.1237 | |
| 109 | T | B | -0.1928 | |
| 110 | V | B | 0.2584 | |
| 111 | A | B | -0.0702 | |
| 112 | A | B | -0.1663 | |
| 113 | P | B | 0.0000 | |
| 114 | S | B | -0.1836 | |
| 115 | V | B | 0.0000 | |
| 116 | F | B | 0.0000 | |
| 117 | I | B | 0.0000 | |
| 118 | F | B | 0.0000 | |
| 119 | P | B | -0.6074 | |
| 120 | P | B | 0.0000 | |
| 121 | S | B | 0.0000 | |
| 122 | D | B | -3.2225 | |
| 123 | E | B | -3.2408 | |
| 124 | Q | B | 0.0000 | |
| 125 | L | B | -2.3504 | |
| 126 | K | B | -2.8634 | |
| 127 | S | B | -1.7600 | |
| 128 | G | B | -1.3075 | |
| 129 | T | B | -0.9951 | |
| 130 | A | B | 0.0000 | |
| 131 | S | B | 0.0000 | |
| 132 | V | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | C | B | 0.0000 | |
| 135 | L | B | 0.0000 | |
| 136 | L | B | 0.0000 | |
| 137 | N | B | -0.3982 | |
| 138 | N | B | -0.7572 | |
| 139 | F | B | 0.0000 | |
| 140 | Y | B | 0.0000 | |
| 141 | P | B | -1.1628 | |
| 142 | R | B | -1.6297 | |
| 143 | E | B | -2.5737 | |
| 144 | A | B | -2.0217 | |
| 145 | K | B | -2.2314 | |
| 146 | V | B | 0.0000 | |
| 147 | Q | B | -0.8708 | |
| 148 | W | B | 0.0000 | |
| 149 | K | B | -0.8932 | |
| 150 | V | B | 0.0000 | |
| 151 | D | B | -1.9931 | |
| 152 | N | B | -1.5192 | |
| 153 | A | B | -0.5566 | |
| 154 | L | B | 0.1109 | |
| 155 | Q | B | -0.3689 | |
| 156 | S | B | -0.5222 | |
| 157 | G | B | -0.9407 | |
| 158 | N | B | -0.9018 | |
| 159 | S | B | -1.3196 | |
| 160 | Q | B | -1.6359 | |
| 161 | E | B | -2.0679 | |
| 162 | S | B | -0.7994 | |
| 163 | V | B | -0.2147 | |
| 164 | T | B | -0.4953 | |
| 165 | E | B | -1.1784 | |
| 166 | Q | B | -1.2123 | |
| 167 | D | B | -1.6319 | |
| 168 | S | B | -1.5995 | |
| 169 | K | B | -2.2994 | |
| 170 | D | B | -1.8445 | |
| 171 | S | B | -1.6222 | |
| 172 | T | B | 0.0000 | |
| 173 | Y | B | 0.0000 | |
| 174 | S | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | S | B | 0.0000 | |
| 177 | S | B | 0.0000 | |
| 178 | T | B | -0.7951 | |
| 179 | L | B | 0.0000 | |
| 180 | T | B | -0.4563 | |
| 181 | L | B | -0.6785 | |
| 182 | S | B | -1.0422 | |
| 183 | K | B | -2.0566 | |
| 184 | A | B | -1.8894 | |
| 185 | D | B | -2.5023 | |
| 186 | Y | B | 0.0000 | |
| 187 | E | B | -3.6985 | |
| 188 | K | B | -3.6985 | |
| 189 | H | B | -3.0360 | |
| 190 | K | B | -3.1794 | |
| 191 | V | B | -1.3685 | |
| 192 | Y | B | 0.0000 | |
| 193 | A | B | 0.0000 | |
| 194 | C | B | 0.0000 | |
| 195 | E | B | -0.8666 | |
| 196 | V | B | 0.0000 | |
| 197 | T | B | -1.2566 | |
| 198 | H | B | 0.0000 | |
| 199 | Q | B | -1.4616 | |
| 200 | G | B | -0.4987 | |
| 201 | L | B | -0.2529 | |
| 202 | S | B | -0.4514 | |
| 203 | S | B | -0.4016 | |
| 204 | P | B | -0.6104 | |
| 205 | V | B | 0.0005 | |
| 206 | T | B | -0.4904 | |
| 207 | K | B | -0.9005 | |
| 208 | S | B | -0.7092 | |
| 209 | F | B | 0.0000 | |
| 210 | N | B | -2.0291 | |
| 211 | R | B | -2.7302 | |
| 212 | G | B | -2.2926 | |
| 213 | E | B | -2.5932 |
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