| Chain sequence(s) |
A: DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP 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] (00:00:01)
[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 (00:07:15)
[INFO] Main: Simulation completed successfully. (00:07:18)
|
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 | -2.2936 | |
| 2 | I | A | 0.0000 | |
| 3 | Q | A | -2.2112 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -1.3987 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.8421 | |
| 8 | P | A | -0.5838 | |
| 9 | S | A | -0.8249 | |
| 10 | S | A | -0.7526 | |
| 11 | L | A | -0.6112 | |
| 12 | S | A | -1.0790 | |
| 13 | A | A | -1.0217 | |
| 14 | S | A | -0.7898 | |
| 15 | V | A | 0.3408 | |
| 16 | G | A | -0.4385 | |
| 17 | D | A | -1.6728 | |
| 18 | R | A | -2.3556 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.6594 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.7959 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.8635 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -2.3335 | |
| 27 | Q | A | -2.9363 | |
| 28 | D | A | -2.8669 | |
| 29 | V | A | 0.0000 | |
| 30 | N | A | -1.7379 | |
| 31 | T | A | -0.8607 | |
| 32 | A | A | 0.0034 | |
| 33 | V | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | -1.1170 | |
| 38 | Q | A | 0.0000 | |
| 39 | K | A | -1.9716 | |
| 40 | P | A | -1.5463 | |
| 41 | G | A | -1.7790 | |
| 42 | K | A | -2.6495 | |
| 43 | A | A | -1.7533 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -1.9651 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | 1.0727 | |
| 50 | S | A | 0.4187 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | 0.6184 | |
| 53 | F | A | 2.0207 | |
| 54 | L | A | 1.4037 | |
| 55 | Y | A | 0.5742 | |
| 56 | S | A | 0.0070 | |
| 57 | G | A | -0.4034 | |
| 58 | V | A | -0.2836 | |
| 59 | P | A | -0.3211 | |
| 60 | S | A | -0.3858 | |
| 61 | R | A | -0.7570 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | 0.0886 | |
| 64 | G | A | 0.0338 | |
| 65 | S | A | -0.7344 | |
| 66 | R | A | -1.8197 | |
| 67 | S | A | -1.3135 | |
| 68 | G | A | -1.8387 | |
| 69 | T | A | -2.2518 | |
| 70 | D | A | -1.9479 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.8213 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.6473 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.4726 | |
| 77 | S | A | -1.0607 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -1.0532 | |
| 80 | P | A | -1.6942 | |
| 81 | E | A | -2.2306 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | T | A | -0.8507 | |
| 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 | H | A | 0.4556 | |
| 92 | Y | A | 0.6318 | |
| 93 | T | A | 0.0625 | |
| 94 | T | A | -0.2572 | |
| 95 | P | A | -0.5984 | |
| 96 | P | A | 0.0000 | |
| 97 | T | A | -0.6003 | |
| 98 | F | A | -0.5108 | |
| 99 | G | A | 0.0000 | |
| 100 | Q | A | -1.7479 | |
| 101 | G | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -1.4036 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -1.5067 | |
| 106 | I | A | 0.0000 | |
| 107 | K | A | -1.4015 | |
| 108 | R | A | -0.8230 | |
| 109 | T | A | 0.1529 | |
| 110 | V | A | 1.0019 | |
| 111 | A | A | 0.3130 | |
| 112 | A | A | 0.1389 | |
| 113 | P | A | 0.0000 | |
| 114 | S | A | -0.0907 | |
| 115 | V | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | P | A | -0.6638 | |
| 120 | P | A | 0.0000 | |
| 121 | S | A | -1.6191 | |
| 122 | D | A | -3.0102 | |
| 123 | E | A | -3.0250 | |
| 124 | Q | A | 0.0000 | |
| 125 | L | A | -2.3022 | |
| 126 | K | A | -2.8079 | |
| 127 | S | A | -1.7783 | |
| 128 | G | A | -1.3799 | |
| 129 | T | A | -1.0177 | |
| 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 | -0.8613 | |
| 139 | F | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | P | A | -1.6280 | |
| 142 | R | A | -2.8499 | |
| 143 | E | A | -3.2215 | |
| 144 | A | A | -2.3583 | |
| 145 | K | A | -2.4562 | |
| 146 | V | A | -1.2040 | |
| 147 | Q | A | -0.7643 | |
| 148 | W | A | 0.0000 | |
| 149 | K | A | -1.0167 | |
| 150 | V | A | 0.0000 | |
| 151 | D | A | -2.2578 | |
| 152 | N | A | -1.7401 | |
| 153 | A | A | -0.3623 | |
| 154 | L | A | 0.6405 | |
| 155 | Q | A | -0.1441 | |
| 156 | S | A | -0.4485 | |
| 157 | G | A | -0.8466 | |
| 158 | N | A | -0.7005 | |
| 159 | S | A | -1.0905 | |
| 160 | Q | A | -1.4106 | |
| 161 | E | A | -2.1369 | |
| 162 | S | A | -1.0517 | |
| 163 | V | A | -1.0525 | |
| 164 | T | A | -1.1840 | |
| 165 | E | A | -2.3640 | |
| 166 | Q | A | 0.0000 | |
| 167 | D | A | -2.1948 | |
| 168 | S | A | -2.4205 | |
| 169 | K | A | -2.7175 | |
| 170 | D | A | -1.9978 | |
| 171 | S | A | 0.0000 | |
| 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 | -0.6208 | |
| 179 | L | A | 0.0000 | |
| 180 | T | A | -0.3955 | |
| 181 | L | A | -0.6537 | |
| 182 | S | A | -1.0726 | |
| 183 | K | A | -2.1204 | |
| 184 | A | A | -1.9458 | |
| 185 | D | A | -2.5127 | |
| 186 | Y | A | 0.0000 | |
| 187 | E | A | -3.6867 | |
| 188 | K | A | -3.7054 | |
| 189 | H | A | -3.2000 | |
| 190 | K | A | -3.4627 | |
| 191 | V | A | -1.7005 | |
| 192 | Y | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | C | A | 0.0000 | |
| 195 | E | A | -0.7474 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | -1.1222 | |
| 198 | H | A | 0.0000 | |
| 199 | Q | A | -1.6200 | |
| 200 | G | A | -0.1467 | |
| 201 | L | A | -0.0482 | |
| 202 | S | A | -0.3903 | |
| 203 | S | A | -0.3611 | |
| 204 | P | A | -0.4984 | |
| 205 | V | A | 0.1363 | |
| 206 | T | A | -0.3459 | |
| 207 | K | A | -0.6114 | |
| 208 | S | A | -0.7772 | |
| 209 | F | A | 0.0000 | |
| 210 | N | A | -2.2942 | |
| 211 | R | A | -2.8784 | |
| 212 | G | A | -2.3064 | |
| 213 | E | A | -2.3811 | |
| 214 | C | A | -0.6440 | |
| 1 | E | B | -2.0159 | |
| 2 | V | B | -1.2555 | |
| 3 | Q | B | -1.2735 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.2526 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.6303 | |
| 8 | G | B | -0.9298 | |
| 9 | G | B | -0.7493 | |
| 10 | G | B | -0.4203 | |
| 11 | L | B | -0.1989 | |
| 12 | V | B | 0.0000 | |
| 13 | Q | B | -1.7039 | |
| 14 | P | B | -1.5644 | |
| 15 | G | B | -1.4833 | |
| 16 | G | B | -1.1901 | |
| 17 | S | B | -1.3189 | |
| 18 | L | B | -1.2547 | |
| 19 | R | B | -2.2520 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.6208 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.3713 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.9859 | |
| 26 | G | B | -1.1303 | |
| 27 | F | B | -1.0918 | |
| 28 | N | B | -1.6967 | |
| 29 | I | B | 0.0000 | |
| 30 | K | B | -2.2825 | |
| 31 | D | B | -2.7470 | |
| 32 | T | B | 0.0000 | |
| 33 | Y | B | -0.4226 | |
| 34 | I | B | 0.0000 | |
| 35 | H | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.8056 | |
| 40 | A | B | -1.1595 | |
| 41 | P | B | -0.9636 | |
| 42 | G | B | -1.4758 | |
| 43 | K | B | -2.4025 | |
| 44 | G | B | -1.6692 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -1.0750 | |
| 47 | W | B | 0.0000 | |
| 48 | V | B | 0.0000 | |
| 49 | A | B | 0.0000 | |
| 50 | R | B | -0.3230 | |
| 51 | I | B | 0.0000 | |
| 52 | Y | B | -0.3561 | |
| 53 | P | B | 0.0000 | |
| 54 | T | B | -1.1297 | |
| 55 | N | B | -0.8517 | |
| 56 | G | B | -0.5403 | |
| 57 | Y | B | 0.6116 | |
| 58 | T | B | -0.0989 | |
| 59 | R | B | -1.1905 | |
| 60 | Y | B | -1.3891 | |
| 61 | A | B | -1.6448 | |
| 62 | D | B | -2.5231 | |
| 63 | S | B | -1.7515 | |
| 64 | V | B | 0.0000 | |
| 65 | K | B | -2.6234 | |
| 66 | G | B | -1.6070 | |
| 67 | R | B | 0.0000 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -1.0952 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.3241 | |
| 72 | A | B | -0.8836 | |
| 73 | D | B | -1.5724 | |
| 74 | T | B | -1.5016 | |
| 75 | S | B | -1.5024 | |
| 76 | K | B | -2.2028 | |
| 77 | N | B | -1.6394 | |
| 78 | T | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | Y | B | 0.0000 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.5610 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -1.2948 | |
| 85 | S | B | -1.2170 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -2.5175 | |
| 88 | A | B | -1.8081 | |
| 89 | E | B | -2.2817 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.7437 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.1550 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | S | B | 0.0000 | |
| 98 | R | B | -0.2003 | |
| 99 | W | B | 0.0000 | |
| 100 | G | B | 0.0000 | |
| 101 | G | B | -1.4303 | |
| 102 | D | B | -2.2531 | |
| 103 | G | B | -1.0964 | |
| 104 | F | B | -0.2501 | |
| 105 | Y | B | 0.3016 | |
| 106 | A | B | 0.0000 | |
| 107 | M | B | 0.0000 | |
| 108 | D | B | -0.2715 | |
| 109 | Y | B | -0.5893 | |
| 110 | W | B | -0.6491 | |
| 111 | G | B | 0.0000 | |
| 112 | Q | B | -1.5464 | |
| 113 | G | B | -0.7348 | |
| 114 | T | B | -0.1751 | |
| 115 | L | B | 0.1009 | |
| 116 | V | B | 0.0000 | |
| 117 | T | B | 0.0000 | |
| 118 | V | B | 0.0000 | |
| 119 | S | B | -0.8635 | |
| 120 | S | B | -0.7370 | |
| 121 | A | B | -0.5396 | |
| 122 | S | B | -0.7119 | |
| 123 | T | B | -0.8682 | |
| 124 | K | B | -1.5987 | |
| 125 | G | B | -1.6675 | |
| 126 | P | B | 0.0000 | |
| 127 | S | B | -0.5729 | |
| 128 | V | B | 0.0000 | |
| 129 | F | B | 0.0000 | |
| 130 | P | B | -1.0402 | |
| 131 | L | B | 0.0000 | |
| 132 | A | B | -0.8647 | |
| 133 | P | B | 0.0000 | |
| 134 | S | B | -0.6937 | |
| 135 | S | B | -0.7556 | |
| 136 | K | B | -1.1276 | |
| 137 | S | B | 0.0000 | |
| 138 | T | B | -0.7032 | |
| 139 | S | B | -0.6639 | |
| 140 | G | B | -0.7988 | |
| 141 | G | B | -0.8707 | |
| 142 | T | B | -0.5955 | |
| 143 | A | B | 0.0000 | |
| 144 | A | B | 0.0000 | |
| 145 | L | B | 0.0000 | |
| 146 | G | B | 0.0000 | |
| 147 | C | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | V | B | 0.0000 | |
| 150 | K | B | 0.0000 | |
| 151 | D | B | -0.6864 | |
| 152 | Y | B | 0.0000 | |
| 153 | F | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | E | B | -0.4301 | |
| 156 | P | B | -0.6232 | |
| 157 | V | B | -0.4141 | |
| 158 | T | B | -0.5294 | |
| 159 | V | B | -0.3007 | |
| 160 | S | B | -0.3534 | |
| 161 | W | B | 0.0000 | |
| 162 | N | B | -0.6764 | |
| 163 | S | B | -0.6545 | |
| 164 | G | B | -0.5111 | |
| 165 | A | B | -0.2418 | |
| 166 | L | B | 0.0034 | |
| 167 | T | B | -0.1687 | |
| 168 | S | B | -0.1624 | |
| 169 | G | B | -0.1742 | |
| 170 | V | B | 0.1810 | |
| 171 | H | B | -0.3348 | |
| 172 | T | B | -0.1456 | |
| 173 | F | B | 0.0000 | |
| 174 | P | B | -0.3536 | |
| 175 | A | B | 0.2013 | |
| 176 | V | B | 0.4481 | |
| 177 | L | B | 1.0191 | |
| 178 | Q | B | 0.2147 | |
| 179 | S | B | -0.1001 | |
| 180 | S | B | -0.2584 | |
| 181 | G | B | -0.0468 | |
| 182 | L | B | -0.0968 | |
| 183 | Y | B | 0.3163 | |
| 184 | S | B | 0.0000 | |
| 185 | L | B | 0.0000 | |
| 186 | S | B | 0.0000 | |
| 187 | S | B | 0.0000 | |
| 188 | V | B | 0.0000 | |
| 189 | V | B | 0.0000 | |
| 190 | T | B | -0.1185 | |
| 191 | V | B | 0.0000 | |
| 192 | P | B | -0.6032 | |
| 193 | S | B | -0.6203 | |
| 194 | S | B | -0.5397 | |
| 195 | S | B | -0.5279 | |
| 196 | L | B | -0.7637 | |
| 197 | G | B | -1.1074 | |
| 198 | T | B | -0.6987 | |
| 199 | Q | B | -1.2339 | |
| 200 | T | B | -1.0437 | |
| 201 | Y | B | 0.0000 | |
| 202 | I | B | -1.0087 | |
| 203 | C | B | 0.0000 | |
| 204 | N | B | -1.3373 | |
| 205 | V | B | 0.0000 | |
| 206 | N | B | -1.7592 | |
| 207 | H | B | 0.0000 | |
| 208 | K | B | -2.6978 | |
| 209 | P | B | -1.6399 | |
| 210 | S | B | -1.9433 | |
| 211 | N | B | -2.4218 | |
| 212 | T | B | -2.0862 | |
| 213 | K | B | -2.6844 | |
| 214 | V | B | -1.6963 | |
| 215 | D | B | -2.3942 | |
| 216 | K | B | -1.9359 | |
| 217 | K | B | -1.9386 | |
| 218 | V | B | 0.0000 | |
| 219 | E | B | -2.3508 | |
| 220 | P | B | -1.1379 |
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