| Chain sequence(s) |
A: DIQMTQSPDSLSASVGDRITITCRASQSINSNLAWYQQKPGKAPKLLIYKASDLESGVPSRFSGSGSGTEFTLTISSLQPDDFATYYCQQYKAFKTFGHGTKVEIKRTVAAPRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: QVQLQQWGAGLLKPSETLSLTCAVYGGSFSGYYWSWIRQSPETGLEWLGEFDLGGSITHSRGTNYNPSLKSRVTISGDTSKNQFSLKLTSVTAADTAVYYCARGLAMGGTKEFDSWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVLE 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] (00:00:06)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:06)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:06)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:06)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:06)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:05)
[INFO] Main: Simulation completed successfully. (00:05:08)
|
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 | -1.9457 | |
| 2 | I | A | -1.7742 | |
| 3 | Q | A | -2.1639 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -1.4669 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -1.3483 | |
| 8 | P | A | -1.3461 | |
| 9 | D | A | -2.4885 | |
| 10 | S | A | -1.8676 | |
| 11 | L | A | -1.1165 | |
| 12 | S | A | -1.0006 | |
| 13 | A | A | -1.1456 | |
| 14 | S | A | -0.9631 | |
| 15 | V | A | -0.8896 | |
| 16 | G | A | -1.1706 | |
| 17 | D | A | -2.0629 | |
| 18 | R | A | -2.3977 | |
| 19 | I | A | 0.0000 | |
| 20 | T | A | -0.4986 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.9728 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.5884 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -1.9069 | |
| 27 | Q | A | -2.2506 | |
| 28 | S | A | -1.8694 | |
| 29 | I | A | 0.0000 | |
| 30 | N | A | -2.3249 | |
| 31 | S | A | -1.8070 | |
| 32 | N | A | -1.7679 | |
| 33 | L | 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 | -1.3298 | |
| 39 | K | A | -1.8129 | |
| 40 | P | A | -1.3526 | |
| 41 | G | A | -1.7651 | |
| 42 | K | A | -2.5279 | |
| 43 | A | A | -1.6571 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -1.7361 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | -0.7907 | |
| 50 | K | A | -1.6828 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | -1.0454 | |
| 53 | D | A | -1.0693 | |
| 54 | L | A | -0.4039 | |
| 55 | E | A | -0.7208 | |
| 56 | S | A | -0.6237 | |
| 57 | G | A | -0.5635 | |
| 58 | V | A | -0.4397 | |
| 59 | P | A | -0.4065 | |
| 60 | S | A | -0.4930 | |
| 61 | R | A | -0.8372 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -0.4604 | |
| 64 | G | A | -0.5758 | |
| 65 | S | A | -0.9420 | |
| 66 | G | A | -1.3928 | |
| 67 | S | A | -1.6491 | |
| 68 | G | A | -1.7222 | |
| 69 | T | A | -1.9707 | |
| 70 | E | A | -2.3708 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.7542 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.6019 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.3892 | |
| 77 | S | A | -1.3453 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -1.4576 | |
| 80 | P | A | -2.0547 | |
| 81 | D | A | -2.5503 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | -1.6749 | |
| 84 | A | A | 0.0000 | |
| 85 | T | A | 0.0000 | |
| 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 | Y | A | 0.0000 | |
| 92 | K | A | -1.7585 | |
| 93 | A | A | -0.5142 | |
| 94 | F | A | 0.3158 | |
| 95 | K | A | 0.0000 | |
| 96 | T | A | -0.6076 | |
| 97 | F | A | 0.0000 | |
| 98 | G | A | 0.0000 | |
| 99 | H | A | -1.6416 | |
| 100 | G | A | 0.0000 | |
| 101 | T | A | 0.0000 | |
| 102 | K | A | -2.4657 | |
| 103 | V | A | 0.0000 | |
| 104 | E | A | -1.7313 | |
| 105 | I | A | 0.0000 | |
| 106 | K | A | -1.2090 | |
| 107 | R | A | -0.8811 | |
| 108 | T | A | 0.0843 | |
| 109 | V | A | 1.1363 | |
| 110 | A | A | 0.5475 | |
| 111 | A | A | -0.0104 | |
| 112 | P | A | -0.6094 | |
| 113 | R | A | -1.5291 | |
| 114 | T | A | -0.5224 | |
| 115 | V | A | -0.6876 | |
| 116 | A | A | -0.8243 | |
| 117 | A | A | -0.5034 | |
| 118 | P | A | 0.0000 | |
| 119 | S | A | -0.2759 | |
| 120 | V | A | 0.0000 | |
| 121 | F | A | 0.0000 | |
| 122 | I | A | 0.0000 | |
| 123 | F | A | 0.0000 | |
| 124 | P | A | -0.3495 | |
| 125 | P | A | -0.7422 | |
| 126 | S | A | -1.5570 | |
| 127 | D | A | -2.9507 | |
| 128 | E | A | -3.0215 | |
| 129 | Q | A | 0.0000 | |
| 130 | L | A | -2.2639 | |
| 131 | K | A | -2.8608 | |
| 132 | S | A | -1.8139 | |
| 133 | G | A | -1.3556 | |
| 134 | T | A | -1.1241 | |
| 135 | A | A | 0.0000 | |
| 136 | S | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | C | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | N | A | 0.0000 | |
| 143 | N | A | -0.9982 | |
| 144 | F | A | 0.0000 | |
| 145 | Y | A | 0.0000 | |
| 146 | P | A | -1.5968 | |
| 147 | R | A | -2.5110 | |
| 148 | E | A | -2.8922 | |
| 149 | A | A | -2.1664 | |
| 150 | K | A | -2.7147 | |
| 151 | V | A | 0.0000 | |
| 152 | Q | A | -0.9017 | |
| 153 | W | A | 0.0000 | |
| 154 | K | A | -0.5441 | |
| 155 | V | A | 0.0000 | |
| 156 | D | A | -1.7008 | |
| 157 | N | A | -1.4316 | |
| 158 | A | A | -0.2357 | |
| 159 | L | A | 0.6860 | |
| 160 | Q | A | -0.4842 | |
| 161 | S | A | -0.7275 | |
| 162 | G | A | -1.3586 | |
| 163 | N | A | -1.8191 | |
| 164 | S | A | -1.6752 | |
| 165 | Q | A | -1.5898 | |
| 166 | E | A | -2.1475 | |
| 167 | S | A | -1.0079 | |
| 168 | V | A | -0.8732 | |
| 169 | T | A | 0.0000 | |
| 170 | E | A | -2.0523 | |
| 171 | Q | A | 0.0000 | |
| 172 | D | A | -1.9975 | |
| 173 | S | A | -2.2615 | |
| 174 | K | A | -2.6432 | |
| 175 | D | A | -1.9514 | |
| 176 | S | A | 0.0000 | |
| 177 | T | A | 0.0000 | |
| 178 | Y | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | T | A | -0.8602 | |
| 184 | L | A | 0.0000 | |
| 185 | T | A | -0.7766 | |
| 186 | L | A | 0.0000 | |
| 187 | S | A | -1.3141 | |
| 188 | K | A | -2.0928 | |
| 189 | A | A | -1.8603 | |
| 190 | D | A | -2.5377 | |
| 191 | Y | A | 0.0000 | |
| 192 | E | A | -3.1723 | |
| 193 | K | A | -3.3746 | |
| 194 | H | A | -2.7041 | |
| 195 | K | A | -2.6845 | |
| 196 | V | A | -1.3333 | |
| 197 | Y | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | C | A | 0.0000 | |
| 200 | E | A | -0.9463 | |
| 201 | V | A | 0.0000 | |
| 202 | T | A | -1.3010 | |
| 203 | H | A | 0.0000 | |
| 204 | Q | A | -1.7864 | |
| 205 | G | A | -0.7988 | |
| 206 | L | A | -0.2524 | |
| 207 | S | A | -0.4232 | |
| 208 | S | A | -0.4285 | |
| 209 | P | A | -0.6034 | |
| 210 | V | A | 0.0054 | |
| 211 | T | A | -0.3514 | |
| 212 | K | A | -0.4344 | |
| 213 | S | A | -0.3692 | |
| 214 | F | A | 0.0000 | |
| 215 | N | A | -1.3621 | |
| 216 | R | A | -1.9277 | |
| 217 | G | A | -1.8163 | |
| 218 | E | A | -2.0077 | |
| 219 | C | A | -0.5525 | |
| 1 | Q | B | -1.3783 | |
| 2 | V | B | -0.9607 | |
| 3 | Q | B | -1.2652 | |
| 4 | L | B | 0.0000 | |
| 5 | Q | B | -0.8944 | |
| 6 | Q | B | 0.0000 | |
| 7 | W | B | 0.2672 | |
| 8 | G | B | 0.0436 | |
| 9 | A | B | -0.1272 | |
| 10 | G | B | -0.1589 | |
| 11 | L | B | -0.2536 | |
| 12 | L | B | 0.0000 | |
| 13 | K | B | -2.0759 | |
| 14 | P | B | -1.3637 | |
| 15 | S | B | -1.1189 | |
| 16 | E | B | -1.3454 | |
| 17 | T | B | -1.0342 | |
| 18 | L | B | 0.0000 | |
| 19 | S | B | -0.5795 | |
| 20 | L | B | 0.0000 | |
| 21 | T | B | -0.2717 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | 0.0000 | |
| 24 | V | B | 0.0000 | |
| 25 | Y | B | -0.0320 | |
| 26 | G | B | -0.6684 | |
| 27 | G | B | -0.4968 | |
| 28 | S | B | 0.0192 | |
| 29 | F | B | 0.0626 | |
| 30 | S | B | -0.0322 | |
| 31 | G | B | 0.1955 | |
| 32 | Y | B | 0.4255 | |
| 33 | Y | B | 0.0000 | |
| 34 | W | B | 0.0000 | |
| 35 | S | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | I | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.4312 | |
| 40 | S | B | 0.0000 | |
| 41 | P | B | -1.1671 | |
| 42 | E | B | -2.0919 | |
| 43 | T | B | -1.2869 | |
| 44 | G | B | -0.9962 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.4597 | |
| 47 | W | B | 0.0000 | |
| 48 | L | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | E | B | 0.0000 | |
| 51 | F | B | 0.0000 | |
| 52 | D | B | 0.0000 | |
| 53 | L | B | -0.4990 | |
| 54 | G | B | -0.3321 | |
| 55 | G | B | -0.5306 | |
| 56 | S | B | 0.1156 | |
| 57 | I | B | 1.2361 | |
| 58 | T | B | 0.0242 | |
| 59 | H | B | -1.1896 | |
| 60 | S | B | -1.3443 | |
| 61 | R | B | -2.1386 | |
| 62 | G | B | -1.4857 | |
| 63 | T | B | -0.8515 | |
| 64 | N | B | -1.0160 | |
| 65 | Y | B | -0.7510 | |
| 66 | N | B | -0.8195 | |
| 67 | P | B | -0.9890 | |
| 68 | S | B | -1.0265 | |
| 69 | L | B | 0.0000 | |
| 70 | K | B | -2.1051 | |
| 71 | S | B | -1.2879 | |
| 72 | R | B | -1.2965 | |
| 73 | V | B | 0.0000 | |
| 74 | T | B | -0.9651 | |
| 75 | I | B | 0.0000 | |
| 76 | S | B | -0.6842 | |
| 77 | G | B | -0.9446 | |
| 78 | D | B | -1.4874 | |
| 79 | T | B | -1.1420 | |
| 80 | S | B | -1.3503 | |
| 81 | K | B | -2.2080 | |
| 82 | N | B | -1.3086 | |
| 83 | Q | B | -1.2533 | |
| 84 | F | B | 0.0000 | |
| 85 | S | B | -0.5726 | |
| 86 | L | B | 0.0000 | |
| 87 | K | B | -1.2369 | |
| 88 | L | B | 0.0000 | |
| 89 | T | B | -0.8146 | |
| 90 | S | B | -0.9590 | |
| 91 | V | B | 0.0000 | |
| 92 | T | B | -0.5588 | |
| 93 | A | B | -0.2857 | |
| 94 | A | B | -0.2321 | |
| 95 | D | B | 0.0000 | |
| 96 | T | B | -0.0594 | |
| 97 | A | B | 0.0000 | |
| 98 | V | B | 0.3277 | |
| 99 | Y | B | 0.0000 | |
| 100 | Y | B | 0.0000 | |
| 101 | C | B | 0.0000 | |
| 102 | A | B | 0.0000 | |
| 103 | R | B | 0.0000 | |
| 104 | G | B | 0.0000 | |
| 105 | L | B | 0.2497 | |
| 106 | A | B | 0.2981 | |
| 107 | M | B | 0.7432 | |
| 108 | G | B | -0.1197 | |
| 109 | G | B | -0.6027 | |
| 110 | T | B | -0.5920 | |
| 111 | K | B | -0.8056 | |
| 112 | E | B | 0.0000 | |
| 113 | F | B | 0.0000 | |
| 114 | D | B | -0.7162 | |
| 115 | S | B | 0.0000 | |
| 116 | W | B | -0.9413 | |
| 117 | G | B | 0.0000 | |
| 118 | Q | B | -1.7201 | |
| 119 | G | B | -0.7744 | |
| 120 | T | B | 0.0309 | |
| 121 | L | B | 0.3631 | |
| 122 | V | B | 0.0000 | |
| 123 | T | B | -0.1437 | |
| 124 | V | B | 0.0000 | |
| 125 | S | B | -0.7259 | |
| 126 | S | B | -0.8416 | |
| 127 | A | B | -0.5594 | |
| 128 | S | B | -0.6957 | |
| 129 | T | B | -0.8041 | |
| 130 | K | B | -1.3147 | |
| 131 | G | B | -1.4892 | |
| 132 | P | B | 0.0000 | |
| 133 | S | B | -0.4363 | |
| 134 | V | B | 0.0000 | |
| 135 | F | B | 0.0000 | |
| 136 | P | B | -0.7862 | |
| 137 | L | B | 0.0000 | |
| 138 | A | B | -0.3889 | |
| 139 | P | B | -0.1621 | |
| 140 | S | B | -0.3157 | |
| 141 | S | B | -0.5118 | |
| 142 | K | B | -0.8366 | |
| 143 | S | B | 0.0000 | |
| 144 | T | B | -0.6303 | |
| 145 | S | B | -0.6677 | |
| 146 | G | B | -0.8042 | |
| 147 | G | B | -0.8784 | |
| 148 | T | B | -0.5961 | |
| 149 | A | B | 0.0000 | |
| 150 | A | B | 0.0000 | |
| 151 | L | B | 0.0000 | |
| 152 | G | B | 0.0000 | |
| 153 | C | B | 0.0000 | |
| 154 | L | B | 0.0000 | |
| 155 | V | B | 0.0000 | |
| 156 | K | B | 0.0000 | |
| 157 | D | B | -0.4101 | |
| 158 | Y | B | 0.0000 | |
| 159 | F | B | 0.0000 | |
| 160 | P | B | 0.0000 | |
| 161 | E | B | -0.3380 | |
| 162 | P | B | -0.6875 | |
| 163 | V | B | 0.0000 | |
| 164 | T | B | -0.7803 | |
| 165 | V | B | -0.4627 | |
| 166 | S | B | -0.4322 | |
| 167 | W | B | 0.0000 | |
| 168 | N | B | -0.7430 | |
| 169 | S | B | -0.6396 | |
| 170 | G | B | -0.4520 | |
| 171 | A | B | -0.1995 | |
| 172 | L | B | 0.0350 | |
| 173 | T | B | -0.1545 | |
| 174 | S | B | -0.1800 | |
| 175 | G | B | -0.2401 | |
| 176 | V | B | 0.1573 | |
| 177 | H | B | -0.3100 | |
| 178 | T | B | -0.0108 | |
| 179 | F | B | 0.0000 | |
| 180 | P | B | -0.3539 | |
| 181 | A | B | 0.2100 | |
| 182 | V | B | 0.5177 | |
| 183 | L | B | 1.2885 | |
| 184 | Q | B | 0.2214 | |
| 185 | S | B | -0.1764 | |
| 186 | S | B | -0.2006 | |
| 187 | G | B | 0.0593 | |
| 188 | L | B | 0.1707 | |
| 189 | Y | B | 0.5138 | |
| 190 | S | B | 0.0000 | |
| 191 | L | B | 0.0000 | |
| 192 | S | B | 0.0000 | |
| 193 | S | B | 0.0000 | |
| 194 | V | B | 0.0000 | |
| 195 | V | B | 0.0000 | |
| 196 | T | B | -0.1466 | |
| 197 | V | B | 0.0000 | |
| 198 | P | B | -0.5395 | |
| 199 | S | B | -0.5754 | |
| 200 | S | B | -0.5622 | |
| 201 | S | B | -0.5143 | |
| 202 | L | B | -0.5259 | |
| 203 | G | B | -0.8736 | |
| 204 | T | B | -0.6392 | |
| 205 | Q | B | -0.9904 | |
| 206 | T | B | -0.9834 | |
| 207 | Y | B | 0.0000 | |
| 208 | I | B | -0.9625 | |
| 209 | C | B | 0.0000 | |
| 210 | N | B | -1.5287 | |
| 211 | V | B | 0.0000 | |
| 212 | N | B | -2.3571 | |
| 213 | H | B | 0.0000 | |
| 214 | K | B | -2.8539 | |
| 215 | P | B | -1.6379 | |
| 216 | S | B | -1.9075 | |
| 217 | N | B | -2.6725 | |
| 218 | T | B | -2.2054 | |
| 219 | K | B | -2.8012 | |
| 220 | V | B | -1.6043 | |
| 221 | D | B | -2.4141 | |
| 222 | K | B | -1.8150 | |
| 223 | K | B | -2.3457 | |
| 224 | V | B | 0.0000 | |
| 225 | L | B | -1.2432 | |
| 226 | E | B | -2.1830 |
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