| Chain sequence(s) |
A: QVTLKESGPGILQPSQTLSLTCSFSGFSLSTSGMGLGWIRQPSGKGLEWLTHIWWDDIKRYNPDLRSRLTISKDTSSSQIFLKIASVDTADTATYYCARIVEGSYSSSYFDVWGAGTTVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPK
B: DIVMTQPHKFMSTSVEDRVTITCKASQDVIFDVAWYQQKPGQSPKLLIYSASSRVSGVPDRFTGSGSGTDFTFTISSVQAEDLAVYYCQQHYSTPYTFGGGTTLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKYQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 (00:04:22)
[INFO] Main: Simulation completed successfully. (00:04:26)
|
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 | -1.1455 | |
| 2 | V | A | -0.3507 | |
| 3 | T | A | -0.6670 | |
| 4 | L | A | 0.0000 | |
| 5 | K | A | -1.8494 | |
| 6 | E | A | 0.0000 | |
| 7 | S | A | -0.7693 | |
| 8 | G | A | -0.3467 | |
| 9 | P | A | -0.2079 | |
| 11 | G | A | 0.0048 | |
| 12 | I | A | 0.4387 | |
| 13 | L | A | 0.0000 | |
| 14 | Q | A | -1.1401 | |
| 15 | P | A | -1.4863 | |
| 16 | S | A | -1.3398 | |
| 17 | Q | A | -1.3989 | |
| 18 | T | A | -1.1288 | |
| 19 | L | A | 0.0000 | |
| 20 | S | A | -0.6169 | |
| 21 | L | A | 0.0000 | |
| 22 | T | A | -0.4694 | |
| 23 | C | A | 0.0000 | |
| 24 | S | A | -0.8939 | |
| 25 | F | A | 0.0000 | |
| 26 | S | A | -0.7271 | |
| 27 | G | A | -0.5870 | |
| 28 | F | A | -0.1430 | |
| 29 | S | A | -0.1230 | |
| 30 | L | A | 0.0000 | |
| 31 | S | A | -0.7177 | |
| 34 | T | A | -0.3683 | |
| 35 | S | A | -0.7516 | |
| 36 | G | A | -1.0026 | |
| 37 | M | A | -0.5202 | |
| 38 | G | A | 0.0000 | |
| 39 | L | A | 0.0000 | |
| 40 | G | A | 0.0000 | |
| 41 | W | A | 0.0000 | |
| 42 | I | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | Q | A | -1.0040 | |
| 45 | P | A | -1.0363 | |
| 46 | S | A | -1.0853 | |
| 47 | G | A | -1.4726 | |
| 48 | K | A | -2.2761 | |
| 49 | G | A | -1.3823 | |
| 50 | L | A | 0.0000 | |
| 51 | E | A | -1.0842 | |
| 52 | W | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | T | A | 0.0000 | |
| 55 | H | A | 0.0000 | |
| 56 | I | A | 0.0000 | |
| 57 | W | A | -1.0789 | |
| 58 | W | A | -1.0283 | |
| 59 | D | A | -2.2411 | |
| 63 | D | A | -2.2854 | |
| 64 | I | A | -0.6326 | |
| 65 | K | A | -1.1674 | |
| 66 | R | A | -1.4936 | |
| 67 | Y | A | -1.3609 | |
| 68 | N | A | -1.4844 | |
| 69 | P | A | -2.0342 | |
| 70 | D | A | -2.3881 | |
| 71 | L | A | -1.8689 | |
| 72 | R | A | -2.6769 | |
| 74 | S | A | -1.5970 | |
| 75 | R | A | -1.5929 | |
| 76 | L | A | 0.0000 | |
| 77 | T | A | -0.9705 | |
| 78 | I | A | 0.0000 | |
| 79 | S | A | -0.7049 | |
| 80 | K | A | -0.8528 | |
| 81 | D | A | -0.9455 | |
| 82 | T | A | -0.7302 | |
| 83 | S | A | -0.6320 | |
| 84 | S | A | -0.6419 | |
| 85 | S | A | -0.6947 | |
| 86 | Q | A | -0.8199 | |
| 87 | I | A | 0.0000 | |
| 88 | F | A | 0.0160 | |
| 89 | L | A | 0.0000 | |
| 90 | K | A | -1.1245 | |
| 91 | I | A | 0.0000 | |
| 92 | A | A | -1.0427 | |
| 93 | S | A | -1.2971 | |
| 94 | V | A | 0.0000 | |
| 95 | D | A | -2.1863 | |
| 96 | T | A | -1.0811 | |
| 97 | A | A | -0.5725 | |
| 98 | D | A | 0.0000 | |
| 99 | T | A | -0.3462 | |
| 100 | A | A | 0.0000 | |
| 101 | T | A | -0.1886 | |
| 102 | Y | A | 0.0000 | |
| 103 | Y | A | 0.0000 | |
| 104 | C | A | 0.0000 | |
| 105 | A | A | 0.0000 | |
| 106 | R | A | -0.0543 | |
| 107 | I | A | 0.0000 | |
| 108 | V | A | -0.8124 | |
| 109 | E | A | -1.7035 | |
| 110 | G | A | -0.7403 | |
| 111 | S | A | -0.1051 | |
| 111A | Y | A | 0.9000 | |
| 112A | S | A | 0.4287 | |
| 112 | S | A | -0.5115 | |
| 113 | S | A | 0.0000 | |
| 114 | Y | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | D | A | -0.3736 | |
| 117 | V | A | 0.0065 | |
| 118 | W | A | -0.3813 | |
| 119 | G | A | 0.0000 | |
| 120 | A | A | -0.7058 | |
| 121 | G | A | -0.6568 | |
| 122 | T | A | -0.4971 | |
| 123 | T | A | -0.2513 | |
| 124 | V | A | 0.0000 | |
| 125 | T | A | 0.0000 | |
| 126 | V | A | 0.0000 | |
| 127 | S | A | -0.6101 | |
| 128 | S | A | -0.6517 | |
| 129 | A | A | -0.3997 | |
| 130 | S | A | -0.6313 | |
| 131 | T | A | -0.7291 | |
| 132 | K | A | -1.3988 | |
| 133 | G | A | -1.5188 | |
| 134 | P | A | 0.0000 | |
| 135 | S | A | -0.5664 | |
| 136 | V | A | 0.0000 | |
| 137 | F | A | -0.8715 | |
| 138 | P | A | -1.2405 | |
| 139 | L | A | 0.0000 | |
| 140 | A | A | -1.2173 | |
| 141 | P | A | 0.0000 | |
| 142 | S | A | -0.7669 | |
| 143 | S | A | -0.5496 | |
| 144 | G | A | -0.6451 | |
| 145 | T | A | -0.4879 | |
| 146 | A | A | -0.2784 | |
| 147 | A | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | C | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | V | A | 0.0000 | |
| 153 | K | A | 0.0000 | |
| 154 | D | A | -0.6099 | |
| 155 | Y | A | 0.0000 | |
| 156 | F | A | 0.0000 | |
| 157 | P | A | 0.0000 | |
| 158 | E | A | -1.0148 | |
| 159 | P | A | -1.0607 | |
| 160 | V | A | -0.8827 | |
| 161 | T | A | -0.7071 | |
| 162 | V | A | -0.4770 | |
| 163 | S | A | -0.4745 | |
| 164 | W | A | 0.0000 | |
| 165 | N | A | -0.9072 | |
| 166 | S | A | -0.7187 | |
| 167 | G | A | -0.5879 | |
| 168 | A | A | -0.2419 | |
| 169 | L | A | -0.0070 | |
| 170 | T | A | -0.1812 | |
| 171 | S | A | -0.1902 | |
| 172 | G | A | -0.2169 | |
| 173 | V | A | 0.1439 | |
| 174 | H | A | -0.2930 | |
| 175 | T | A | 0.0186 | |
| 176 | F | A | 0.0000 | |
| 177 | P | A | -0.4279 | |
| 178 | A | A | -0.0135 | |
| 179 | V | A | 0.3558 | |
| 180 | L | A | 0.9153 | |
| 181 | Q | A | 0.1187 | |
| 182 | S | A | -0.0993 | |
| 183 | S | A | -0.2515 | |
| 184 | G | A | -0.0649 | |
| 185 | L | A | -0.1287 | |
| 186 | Y | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | S | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | V | A | 0.0000 | |
| 192 | V | A | 0.0000 | |
| 193 | T | A | -0.1379 | |
| 194 | V | A | 0.0000 | |
| 195 | P | A | -0.6092 | |
| 196 | S | A | -0.5790 | |
| 197 | S | A | -0.6341 | |
| 198 | S | A | -0.6423 | |
| 199 | L | A | -0.8652 | |
| 200 | G | A | -0.9999 | |
| 201 | T | A | -0.7632 | |
| 202 | Q | A | -1.3368 | |
| 203 | T | A | -1.2432 | |
| 204 | Y | A | 0.0000 | |
| 205 | I | A | -1.7268 | |
| 206 | C | A | 0.0000 | |
| 207 | N | A | -1.8908 | |
| 208 | V | A | 0.0000 | |
| 209 | N | A | -2.1236 | |
| 210 | H | A | 0.0000 | |
| 211 | K | A | -2.8196 | |
| 212 | P | A | -1.7366 | |
| 213 | S | A | -1.8832 | |
| 214 | N | A | -2.5937 | |
| 215 | T | A | -2.1670 | |
| 216 | K | A | -2.9107 | |
| 217 | V | A | -2.0579 | |
| 218 | D | A | -3.0760 | |
| 219 | K | A | -2.9640 | |
| 220 | R | A | -3.0444 | |
| 221 | V | A | 0.0000 | |
| 222 | E | A | -3.0138 | |
| 223 | P | A | -1.9738 | |
| 224 | K | A | -2.2966 | |
| 1 | D | B | -1.3936 | |
| 2 | I | B | -0.2636 | |
| 3 | V | B | 0.9398 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -0.4202 | |
| 6 | Q | B | 0.0000 | |
| 7 | P | B | -1.2205 | |
| 8 | H | B | -1.7600 | |
| 9 | K | B | -1.9765 | |
| 10 | F | B | -0.6084 | |
| 11 | M | B | -0.4101 | |
| 12 | S | B | -0.4014 | |
| 13 | T | B | 0.0000 | |
| 14 | S | B | -1.3211 | |
| 15 | V | B | -1.0896 | |
| 16 | E | B | -2.5739 | |
| 17 | D | B | -2.8472 | |
| 18 | R | B | -2.9121 | |
| 19 | V | B | 0.0000 | |
| 20 | T | B | -0.4532 | |
| 21 | I | B | 0.0000 | |
| 22 | T | B | -0.8513 | |
| 23 | C | B | 0.0000 | |
| 24 | K | B | -1.9232 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -1.1870 | |
| 27 | Q | B | -2.1800 | |
| 28 | D | B | -2.2098 | |
| 29 | V | B | 0.0000 | |
| 36 | I | B | 0.8589 | |
| 37 | F | B | 0.8058 | |
| 38 | D | B | 0.0000 | |
| 39 | V | B | 0.0000 | |
| 40 | A | B | 0.0000 | |
| 41 | W | B | 0.0000 | |
| 42 | Y | B | 0.0000 | |
| 43 | Q | B | 0.0000 | |
| 44 | Q | B | -0.8122 | |
| 45 | K | B | -1.2871 | |
| 46 | P | B | -1.2303 | |
| 47 | G | B | -1.2962 | |
| 48 | Q | B | -1.7909 | |
| 49 | S | B | -1.0588 | |
| 50 | P | B | 0.0000 | |
| 51 | K | B | -1.1433 | |
| 52 | L | B | 0.0000 | |
| 53 | L | B | 0.0000 | |
| 54 | I | B | 0.0000 | |
| 55 | Y | B | -0.0175 | |
| 56 | S | B | 0.0000 | |
| 57 | A | B | 0.0000 | |
| 65 | S | B | -0.4521 | |
| 66 | S | B | -0.5762 | |
| 67 | R | B | -1.2833 | |
| 68 | V | B | -0.5921 | |
| 69 | S | B | -0.6865 | |
| 70 | G | B | -0.8340 | |
| 71 | V | B | -0.8733 | |
| 72 | P | B | -1.2439 | |
| 74 | D | B | -2.1947 | |
| 75 | R | B | -1.5374 | |
| 76 | F | B | 0.0000 | |
| 77 | T | B | -0.8320 | |
| 78 | G | B | 0.0000 | |
| 79 | S | B | -0.5577 | |
| 80 | G | B | -0.7006 | |
| 83 | S | B | -0.6145 | |
| 84 | G | B | -1.1772 | |
| 85 | T | B | -2.0335 | |
| 86 | D | B | -2.5550 | |
| 87 | F | B | 0.0000 | |
| 88 | T | B | -0.7230 | |
| 89 | F | B | 0.0000 | |
| 90 | T | B | -0.5388 | |
| 91 | I | B | 0.0000 | |
| 92 | S | B | -1.9496 | |
| 93 | S | B | -2.0555 | |
| 94 | V | B | 0.0000 | |
| 95 | Q | B | -1.5653 | |
| 96 | A | B | -0.9405 | |
| 97 | E | B | -1.7404 | |
| 98 | D | B | 0.0000 | |
| 99 | L | B | -0.1695 | |
| 100 | A | B | 0.0000 | |
| 101 | V | B | 0.0786 | |
| 102 | Y | B | 0.0000 | |
| 103 | Y | B | 0.0000 | |
| 104 | C | B | 0.0000 | |
| 105 | Q | B | 0.0000 | |
| 106 | Q | B | 0.0000 | |
| 107 | H | B | 0.0000 | |
| 108 | Y | B | 0.9572 | |
| 109 | S | B | 0.1586 | |
| 114 | T | B | -0.2904 | |
| 115 | P | B | -0.7235 | |
| 116 | Y | B | 0.1504 | |
| 117 | T | B | 0.1263 | |
| 118 | F | B | 0.2285 | |
| 119 | G | B | 0.0000 | |
| 120 | G | B | -1.0160 | |
| 121 | G | B | 0.0000 | |
| 122 | T | B | 0.0000 | |
| 123 | T | B | -0.2542 | |
| 124 | L | B | 0.0000 | |
| 125 | E | B | 0.0000 | |
| 126 | I | B | -0.6792 | |
| 127 | K | B | -1.6443 | |
| 128 | R | B | -1.2278 | |
| 129 | T | B | -0.3198 | |
| 130 | V | B | 0.2253 | |
| 131 | A | B | 0.0643 | |
| 132 | A | B | -0.1331 | |
| 133 | P | B | 0.0000 | |
| 134 | S | B | -0.1280 | |
| 135 | V | B | 0.0000 | |
| 136 | F | B | 0.0946 | |
| 137 | I | B | 0.0097 | |
| 138 | F | B | 0.0000 | |
| 139 | P | B | -0.5930 | |
| 140 | P | B | -0.8052 | |
| 141 | S | B | -1.8501 | |
| 142 | D | B | -3.0741 | |
| 143 | E | B | -3.2207 | |
| 144 | Q | B | 0.0000 | |
| 145 | L | B | -2.1661 | |
| 146 | K | B | -2.9227 | |
| 147 | S | B | -1.8030 | |
| 148 | G | B | -1.2328 | |
| 149 | T | B | -1.2117 | |
| 150 | A | B | 0.0000 | |
| 151 | S | B | 0.0000 | |
| 152 | V | B | 0.0000 | |
| 153 | V | B | 0.0000 | |
| 154 | C | B | 0.0000 | |
| 155 | L | B | 0.0000 | |
| 156 | L | B | 0.0000 | |
| 157 | N | B | 0.0000 | |
| 158 | N | B | -0.7324 | |
| 159 | F | B | 0.0000 | |
| 160 | Y | B | 0.0000 | |
| 161 | P | B | -1.2834 | |
| 162 | R | B | -1.7749 | |
| 163 | E | B | -2.6489 | |
| 164 | A | B | -2.0751 | |
| 165 | K | B | -2.4273 | |
| 166 | Y | B | -1.1325 | |
| 167 | Q | B | -0.9127 | |
| 168 | W | B | 0.0000 | |
| 169 | K | B | -0.9024 | |
| 170 | V | B | 0.0000 | |
| 171 | D | B | -2.1163 | |
| 172 | N | B | -1.6948 | |
| 173 | A | B | -0.4766 | |
| 174 | L | B | 0.4626 | |
| 175 | Q | B | -0.5271 | |
| 176 | S | B | -0.7745 | |
| 177 | G | B | -1.3861 | |
| 178 | N | B | -1.7945 | |
| 179 | S | B | -1.5623 | |
| 180 | Q | B | -1.5071 | |
| 181 | E | B | -1.5048 | |
| 182 | S | B | -0.7726 | |
| 183 | V | B | -0.4563 | |
| 184 | T | B | -1.0171 | |
| 185 | E | B | -2.1254 | |
| 186 | Q | B | -1.7294 | |
| 187 | D | B | -1.9865 | |
| 188 | S | B | -1.7225 | |
| 189 | K | B | -2.3443 | |
| 190 | D | B | -1.9278 | |
| 191 | S | B | -1.8710 | |
| 192 | T | B | 0.0000 | |
| 193 | Y | B | 0.0000 | |
| 194 | S | B | 0.0000 | |
| 195 | L | B | 0.0000 | |
| 196 | S | B | 0.0000 | |
| 197 | S | B | 0.0000 | |
| 198 | T | B | -0.7210 | |
| 199 | L | B | 0.0000 | |
| 200 | T | B | -0.7323 | |
| 201 | L | B | -0.9708 | |
| 202 | S | B | -1.3248 | |
| 203 | K | B | -2.1327 | |
| 204 | A | B | -1.9938 | |
| 205 | D | B | -2.7203 | |
| 206 | Y | B | 0.0000 | |
| 207 | E | B | -3.8172 | |
| 208 | K | B | -3.7865 | |
| 209 | H | B | -3.3747 | |
| 210 | K | B | -3.3821 | |
| 211 | V | B | -1.8493 | |
| 212 | Y | B | 0.0000 | |
| 213 | A | B | 0.0000 | |
| 214 | C | B | 0.0000 | |
| 215 | E | B | -1.1788 | |
| 216 | V | B | 0.0000 | |
| 217 | T | B | -1.2790 | |
| 218 | H | B | -1.4572 | |
| 219 | Q | B | -1.6598 | |
| 220 | G | B | -0.5204 | |
| 221 | L | B | -0.2810 | |
| 222 | S | B | -0.4652 | |
| 223 | S | B | -0.4483 | |
| 224 | P | B | -0.5271 | |
| 225 | V | B | -0.2212 | |
| 226 | T | B | -0.6817 | |
| 227 | K | B | -0.8010 | |
| 228 | S | B | -0.7631 | |
| 229 | F | B | -0.9989 | |
| 230 | N | B | -2.1602 | |
| 231 | R | B | -2.4050 | |
| 232 | G | B | -1.4569 |
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