| Chain sequence(s) |
A: DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWYAMDYWGQGTLVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP 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 (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:10)
[INFO] Main: Simulation completed successfully. (00:05:13)
|
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 | -2.1285 | |
| 2 | I | A | 0.0000 | |
| 3 | Q | A | -2.1658 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -1.3807 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.7831 | |
| 8 | P | A | -0.6009 | |
| 9 | S | A | -0.8165 | |
| 10 | S | A | -0.7075 | |
| 11 | L | A | -0.5459 | |
| 12 | S | A | -0.8574 | |
| 13 | A | A | -0.9327 | |
| 14 | S | A | -0.7575 | |
| 15 | V | A | 0.1268 | |
| 16 | G | A | -0.7227 | |
| 17 | D | A | -1.8043 | |
| 18 | R | A | -2.3804 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.6546 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.8922 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.9688 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -2.2693 | |
| 27 | Q | A | -2.9133 | |
| 28 | D | A | -2.9680 | |
| 29 | V | A | 0.0000 | |
| 30 | N | A | -2.0422 | |
| 31 | T | A | -1.0220 | |
| 32 | A | A | 0.1178 | |
| 33 | V | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | Q | A | 0.0000 | |
| 39 | K | A | -1.6396 | |
| 40 | P | A | -1.4710 | |
| 41 | G | A | -1.6282 | |
| 42 | K | A | -2.4758 | |
| 43 | A | A | -1.5473 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -1.3516 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | 1.4430 | |
| 50 | S | A | 0.6063 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | 0.5511 | |
| 53 | F | A | 2.2682 | |
| 54 | L | A | 1.4673 | |
| 55 | Y | A | 0.6748 | |
| 56 | S | A | -0.0221 | |
| 57 | G | A | -0.4731 | |
| 58 | V | A | 0.0000 | |
| 59 | P | A | -0.3708 | |
| 60 | S | A | -0.4233 | |
| 61 | R | A | -0.8162 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | 0.0329 | |
| 64 | G | A | -0.1153 | |
| 65 | S | A | -1.1047 | |
| 66 | R | A | -2.7198 | |
| 67 | S | A | -1.7647 | |
| 68 | G | A | -2.1757 | |
| 69 | T | A | -2.5377 | |
| 70 | D | A | -2.2789 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -1.0493 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.6502 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.4739 | |
| 77 | S | A | -1.1639 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -0.7856 | |
| 80 | P | A | -1.3516 | |
| 81 | E | A | -2.1289 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | T | A | -0.7796 | |
| 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 | 0.5699 | |
| 92 | Y | A | 0.3973 | |
| 93 | T | A | 0.1783 | |
| 94 | T | A | -0.5585 | |
| 95 | P | A | -1.0235 | |
| 96 | P | A | 0.0000 | |
| 97 | T | A | -0.6704 | |
| 98 | F | A | -0.5362 | |
| 99 | G | A | 0.0000 | |
| 100 | Q | A | -1.7295 | |
| 101 | G | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -1.2039 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -1.1694 | |
| 106 | I | A | 0.0000 | |
| 107 | K | A | -1.1744 | |
| 108 | R | A | -0.6738 | |
| 109 | T | A | 0.2118 | |
| 110 | V | A | 1.1913 | |
| 111 | A | A | 0.4563 | |
| 112 | A | A | 0.0384 | |
| 113 | P | A | 0.0000 | |
| 114 | S | A | -0.1412 | |
| 115 | V | A | 0.0000 | |
| 116 | F | A | 0.1116 | |
| 117 | I | A | 0.0798 | |
| 118 | F | A | 0.0000 | |
| 119 | P | A | -0.4950 | |
| 120 | P | A | -0.7239 | |
| 121 | S | A | -1.4898 | |
| 122 | D | A | -2.7066 | |
| 123 | E | A | -2.4389 | |
| 124 | Q | A | 0.0000 | |
| 125 | L | A | -1.9149 | |
| 126 | K | A | -2.5602 | |
| 127 | S | A | -1.6094 | |
| 128 | G | A | -1.1232 | |
| 129 | T | A | -0.7656 | |
| 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 | -0.9060 | |
| 139 | F | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | P | A | -1.5413 | |
| 142 | R | A | -2.8049 | |
| 143 | E | A | -3.1388 | |
| 144 | A | A | -2.2796 | |
| 145 | K | A | -2.2312 | |
| 146 | V | A | -1.0987 | |
| 147 | Q | A | -0.4487 | |
| 148 | W | A | 0.0000 | |
| 149 | K | A | -0.9033 | |
| 150 | V | A | 0.0000 | |
| 151 | D | A | -2.2581 | |
| 152 | N | A | -1.7541 | |
| 153 | A | A | -0.4096 | |
| 154 | L | A | 0.7283 | |
| 155 | Q | A | -0.0597 | |
| 156 | S | A | -0.3511 | |
| 157 | G | A | -0.9667 | |
| 158 | N | A | -0.8687 | |
| 159 | S | A | -1.3464 | |
| 160 | Q | A | -1.8608 | |
| 161 | E | A | -2.1685 | |
| 162 | S | A | -0.8988 | |
| 163 | V | A | -0.7495 | |
| 164 | T | A | -1.1209 | |
| 165 | E | A | -2.2024 | |
| 166 | Q | A | 0.0000 | |
| 167 | D | A | -2.0425 | |
| 168 | S | A | -2.1758 | |
| 169 | K | A | -2.5291 | |
| 170 | D | A | -1.8087 | |
| 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 | -0.8156 | |
| 179 | L | A | 0.0000 | |
| 180 | T | A | -0.4863 | |
| 181 | L | A | -0.6195 | |
| 182 | S | A | -0.9806 | |
| 183 | K | A | -1.8275 | |
| 184 | A | A | -1.7308 | |
| 185 | D | A | -2.4097 | |
| 186 | Y | A | 0.0000 | |
| 187 | E | A | -3.1462 | |
| 188 | K | A | -3.4506 | |
| 189 | H | A | -2.9468 | |
| 190 | K | A | -2.8248 | |
| 191 | V | A | -1.3506 | |
| 192 | Y | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | C | A | 0.0000 | |
| 195 | E | A | -0.7874 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | -1.1648 | |
| 198 | H | A | 0.0000 | |
| 199 | Q | A | -1.6487 | |
| 200 | G | A | -0.3065 | |
| 201 | L | A | -0.1279 | |
| 202 | S | A | -0.4471 | |
| 203 | S | A | -0.3872 | |
| 204 | P | A | -0.4918 | |
| 205 | V | A | 0.0082 | |
| 206 | T | A | -0.5933 | |
| 207 | K | A | -1.0250 | |
| 208 | S | A | -0.7944 | |
| 209 | F | A | -0.9699 | |
| 210 | N | A | -1.9918 | |
| 211 | R | A | -2.3704 | |
| 212 | G | A | -2.1470 | |
| 213 | E | A | -2.1923 | |
| 214 | C | A | -0.4759 | |
| 1 | E | B | -2.1514 | |
| 2 | V | B | -1.4949 | |
| 3 | Q | B | -1.3890 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.7474 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.5113 | |
| 8 | G | B | -1.0029 | |
| 9 | G | B | -0.5475 | |
| 10 | G | B | -0.2694 | |
| 11 | L | B | 0.0063 | |
| 12 | V | B | 0.0000 | |
| 13 | Q | B | -1.7003 | |
| 14 | P | B | -1.8312 | |
| 15 | G | B | -1.5504 | |
| 16 | G | B | -1.1127 | |
| 17 | S | B | -1.1837 | |
| 18 | L | B | -1.2598 | |
| 19 | R | B | -2.3271 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.5473 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.2001 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -1.0176 | |
| 26 | G | B | -1.4423 | |
| 27 | F | B | -1.5470 | |
| 28 | N | B | -2.6215 | |
| 29 | I | B | 0.0000 | |
| 30 | K | B | -3.2179 | |
| 31 | D | B | -2.8501 | |
| 32 | T | B | 0.0000 | |
| 33 | Y | B | -0.1625 | |
| 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 | -0.8727 | |
| 40 | A | B | -1.2086 | |
| 41 | P | B | -1.0016 | |
| 42 | G | B | -1.5327 | |
| 43 | K | B | -2.4247 | |
| 44 | G | B | -1.7187 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -1.3938 | |
| 47 | W | B | 0.0000 | |
| 48 | V | B | 0.0000 | |
| 49 | A | B | 0.0000 | |
| 50 | R | B | -0.5123 | |
| 51 | I | B | 0.0000 | |
| 52 | Y | B | -0.4214 | |
| 53 | P | B | 0.0000 | |
| 54 | T | B | -1.4073 | |
| 55 | N | B | -1.1683 | |
| 56 | G | B | -0.4672 | |
| 57 | Y | B | 0.4838 | |
| 58 | T | B | -0.4510 | |
| 59 | R | B | -1.9938 | |
| 60 | Y | B | -1.9117 | |
| 61 | A | B | -1.9014 | |
| 62 | D | B | -2.7356 | |
| 63 | S | B | -1.7653 | |
| 64 | V | B | 0.0000 | |
| 65 | K | B | -2.8835 | |
| 66 | G | B | -1.7065 | |
| 67 | R | B | -1.4342 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -1.2461 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.2984 | |
| 72 | A | B | -1.0030 | |
| 73 | D | B | -1.7645 | |
| 74 | T | B | -2.0744 | |
| 75 | S | B | -1.7285 | |
| 76 | K | B | -2.3120 | |
| 77 | N | B | -1.9951 | |
| 78 | T | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | Y | B | 0.0000 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.6660 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -1.3930 | |
| 85 | S | B | -1.2323 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -2.6595 | |
| 88 | A | B | -1.8836 | |
| 89 | E | B | -2.3769 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.7115 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.1053 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | S | B | 0.0000 | |
| 98 | R | B | -0.1147 | |
| 99 | W | B | 0.2319 | |
| 105 | Y | B | 1.3337 | |
| 106 | A | B | 0.0000 | |
| 107 | M | B | 0.0000 | |
| 108 | D | B | -0.0878 | |
| 109 | Y | B | -0.3540 | |
| 110 | W | B | -0.2983 | |
| 111 | G | B | 0.0000 | |
| 112 | Q | B | -1.3467 | |
| 113 | G | B | -0.5832 | |
| 114 | T | B | -0.0093 | |
| 115 | L | B | 0.3098 | |
| 116 | V | B | 0.0000 | |
| 117 | T | B | -0.4367 | |
| 118 | V | B | 0.0000 | |
| 119 | S | B | -0.8581 | |
| 120 | S | B | -0.7371 | |
| 121 | A | B | -0.5712 | |
| 122 | S | B | -0.7094 | |
| 123 | T | B | -1.0356 | |
| 124 | K | B | -1.8066 | |
| 125 | G | B | -1.5991 | |
| 126 | P | B | 0.0000 | |
| 127 | S | B | -0.4767 | |
| 128 | V | B | 0.0000 | |
| 129 | F | B | 0.0000 | |
| 130 | P | B | -1.1349 | |
| 131 | L | B | 0.0000 | |
| 132 | A | B | -0.6871 | |
| 133 | P | B | -0.5106 | |
| 141 | G | B | -0.6591 | |
| 142 | T | B | -0.4621 | |
| 143 | A | B | -0.2219 | |
| 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 | -0.5044 | |
| 152 | Y | B | 0.0000 | |
| 153 | F | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | E | B | -0.4693 | |
| 156 | P | B | -0.6690 | |
| 157 | V | B | -0.5331 | |
| 158 | T | B | -0.5128 | |
| 159 | V | B | -0.1080 | |
| 160 | S | B | -0.3535 | |
| 161 | W | B | 0.0000 | |
| 162 | N | B | -0.6966 | |
| 163 | S | B | -0.6220 | |
| 164 | G | B | -0.5096 | |
| 165 | A | B | -0.2455 | |
| 166 | L | B | -0.0211 | |
| 167 | T | B | -0.1895 | |
| 168 | S | B | -0.2174 | |
| 169 | G | B | -0.3292 | |
| 170 | V | B | 0.1474 | |
| 171 | H | B | -0.3443 | |
| 172 | T | B | -0.1184 | |
| 173 | F | B | 0.0000 | |
| 174 | P | B | -0.2747 | |
| 175 | A | B | 0.2902 | |
| 176 | V | B | 0.4933 | |
| 177 | L | B | 1.2755 | |
| 178 | Q | B | 0.2450 | |
| 179 | S | B | -0.0527 | |
| 180 | S | B | -0.1770 | |
| 181 | G | B | 0.1363 | |
| 182 | L | B | 0.0636 | |
| 183 | Y | B | 0.4678 | |
| 184 | S | B | 0.0000 | |
| 185 | L | B | 0.2062 | |
| 186 | S | B | 0.0000 | |
| 187 | S | B | 0.0000 | |
| 188 | V | B | 0.0000 | |
| 189 | V | B | 0.0000 | |
| 190 | T | B | -0.1631 | |
| 191 | V | B | 0.0000 | |
| 192 | P | B | -0.4904 | |
| 193 | S | B | -0.5098 | |
| 194 | S | B | -0.5261 | |
| 195 | S | B | -0.4519 | |
| 196 | L | B | -0.5523 | |
| 197 | G | B | -0.8534 | |
| 198 | T | B | -0.5123 | |
| 199 | Q | B | -0.6205 | |
| 200 | T | B | -0.8540 | |
| 201 | Y | B | 0.0000 | |
| 202 | I | B | -1.1048 | |
| 203 | C | B | 0.0000 | |
| 204 | N | B | -1.3942 | |
| 205 | V | B | 0.0000 | |
| 206 | N | B | -1.6920 | |
| 207 | H | B | 0.0000 | |
| 208 | K | B | -2.6598 | |
| 209 | P | B | -1.6211 | |
| 210 | S | B | -1.9892 | |
| 211 | N | B | -2.5854 | |
| 212 | T | B | -2.0957 | |
| 213 | K | B | -2.5724 | |
| 214 | V | B | -1.3476 | |
| 215 | D | B | -2.4549 | |
| 216 | K | B | -1.9327 | |
| 217 | K | B | -2.4555 | |
| 218 | V | B | 0.0000 | |
| 219 | E | B | -2.3557 | |
| 220 | P | B | -1.1078 |
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