| Chain sequence(s) |
A: TPNVYVISGASRGIGFAITSILAQRDNVLIFAGARDLKSTQLNELALKSGGKVVPVKLESTSVEDAAALAKVVEEKAGKVDYVLAVAGISQSTDPIAQVPLDDVRRHFEVNTIGPLVLFQSLLALLTKSSAPHFIVVSTIAGSIASMPQFLFPVSSYAISKTAVNSAVVRIAVEHPDLDAFVCHPGVVSSDMIKEYVAKTGTALSDFESMGMITPEESAASLVKLFDGAKKETHSGKFFNVDGTFLPW
B: TPNVYVISGASRGIGFAITSILAQRDNVLIFAGARDLKSTQLNELALKSGGKVVPVKLESTSVEDAAALAKVVEEKAGKVDYVLAVAGISQSTDPIAQVPLDDVRRHFEVNTIGPLVLFQSLLALLTKSSAPHFIVVSTIAGSIASMPQFLFPVSSYAISKTAVNSAVVRIAVEHPDLDAFVCHPGVVSSDMIKEYVAKTGTALSDFESMGMITPEESAASLVKLFDGAKKETHSGKFFNVDGTFLPW 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 (00:06:55)
[INFO] Main: Simulation completed successfully. (00:07:00)
|
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 | |
| 5 | T | A | -0.4906 | |
| 6 | P | A | -1.2359 | |
| 7 | N | A | -1.3821 | |
| 8 | V | A | 0.0000 | |
| 9 | Y | A | 0.0000 | |
| 10 | V | A | 0.0000 | |
| 11 | I | A | 0.0000 | |
| 12 | S | A | 0.0000 | |
| 13 | G | A | 0.0000 | |
| 14 | A | A | 0.0000 | |
| 15 | S | A | -0.8887 | |
| 16 | R | A | -1.1795 | |
| 17 | G | A | -0.6420 | |
| 18 | I | A | -0.5760 | |
| 19 | G | A | 0.0000 | |
| 20 | F | A | -0.0899 | |
| 21 | A | A | 0.0000 | |
| 22 | I | A | 0.0000 | |
| 23 | T | A | 0.0000 | |
| 24 | S | A | -0.1299 | |
| 25 | I | A | -0.3170 | |
| 26 | L | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | Q | A | -2.0940 | |
| 29 | R | A | -2.3408 | |
| 30 | D | A | -3.1139 | |
| 31 | N | A | -2.6644 | |
| 32 | V | A | 0.0000 | |
| 33 | L | A | -0.9339 | |
| 34 | I | A | 0.0000 | |
| 35 | F | A | 0.0000 | |
| 36 | A | A | 0.0000 | |
| 37 | G | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | R | A | -3.2346 | |
| 40 | D | A | -2.5813 | |
| 41 | L | A | -2.1729 | |
| 42 | K | A | -2.7636 | |
| 43 | S | A | -1.7310 | |
| 44 | T | A | -1.4533 | |
| 45 | Q | A | -0.9933 | |
| 46 | L | A | 0.6433 | |
| 47 | N | A | 0.0000 | |
| 48 | E | A | -1.1304 | |
| 49 | L | A | 0.1967 | |
| 50 | A | A | -0.2049 | |
| 51 | L | A | -0.4702 | |
| 52 | K | A | -1.4552 | |
| 53 | S | A | -1.1315 | |
| 54 | G | A | -1.4116 | |
| 55 | G | A | -1.3479 | |
| 56 | K | A | -1.4339 | |
| 57 | V | A | 0.0000 | |
| 58 | V | A | -0.1564 | |
| 59 | P | A | -0.6461 | |
| 60 | V | A | 0.0000 | |
| 61 | K | A | -2.9835 | |
| 62 | L | A | 0.0000 | |
| 63 | E | A | -2.2908 | |
| 64 | S | A | -0.8178 | |
| 65 | T | A | -0.2311 | |
| 66 | S | A | -0.7154 | |
| 67 | V | A | 0.1731 | |
| 68 | E | A | -1.5793 | |
| 69 | D | A | -1.5927 | |
| 70 | A | A | 0.0000 | |
| 71 | A | A | -0.6170 | |
| 72 | A | A | -1.0770 | |
| 73 | L | A | 0.0000 | |
| 74 | A | A | -1.6251 | |
| 75 | K | A | -2.5475 | |
| 76 | V | A | -1.3906 | |
| 77 | V | A | 0.0000 | |
| 78 | E | A | -3.7571 | |
| 79 | E | A | -3.6537 | |
| 80 | K | A | -3.1148 | |
| 81 | A | A | -1.9130 | |
| 82 | G | A | -2.3892 | |
| 83 | K | A | -1.9707 | |
| 84 | V | A | 0.0000 | |
| 85 | D | A | 0.0000 | |
| 86 | Y | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | V | A | 0.1018 | |
| 91 | A | A | -0.3400 | |
| 92 | G | A | 0.0633 | |
| 93 | I | A | 0.1722 | |
| 94 | S | A | -0.2123 | |
| 95 | Q | A | -0.4767 | |
| 96 | S | A | -0.6514 | |
| 97 | T | A | -0.6222 | |
| 98 | D | A | 0.0000 | |
| 99 | P | A | -0.7874 | |
| 100 | I | A | 0.0000 | |
| 101 | A | A | -0.7108 | |
| 102 | Q | A | -1.3311 | |
| 103 | V | A | 0.0000 | |
| 104 | P | A | -1.1132 | |
| 105 | L | A | -1.1119 | |
| 106 | D | A | -2.3070 | |
| 107 | D | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | R | A | -1.9224 | |
| 110 | R | A | -2.1134 | |
| 111 | H | A | 0.0000 | |
| 112 | F | A | 0.0000 | |
| 113 | E | A | -1.1234 | |
| 114 | V | A | -0.4864 | |
| 115 | N | A | 0.0000 | |
| 116 | T | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | G | A | 0.0000 | |
| 119 | P | A | 0.0000 | |
| 120 | L | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | F | A | 0.0000 | |
| 124 | Q | A | -0.3342 | |
| 125 | S | A | -0.4309 | |
| 126 | L | A | 0.0000 | |
| 127 | L | A | -0.1623 | |
| 128 | A | A | -0.5782 | |
| 129 | L | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | T | A | -1.2532 | |
| 132 | K | A | -2.0565 | |
| 133 | S | A | 0.0000 | |
| 134 | S | A | -1.1011 | |
| 135 | A | A | -1.6008 | |
| 136 | P | A | 0.0000 | |
| 137 | H | A | 0.0000 | |
| 138 | F | A | 0.0000 | |
| 139 | I | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | S | A | 0.0000 | |
| 143 | T | A | 0.3974 | |
| 144 | I | A | 0.7507 | |
| 145 | A | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | S | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | A | A | -0.0786 | |
| 150 | S | A | 0.0519 | |
| 151 | M | A | 0.0000 | |
| 152 | P | A | -0.4120 | |
| 153 | Q | A | -0.8862 | |
| 154 | F | A | 0.6611 | |
| 155 | L | A | 1.0525 | |
| 156 | F | A | 0.8184 | |
| 157 | P | A | -0.0386 | |
| 158 | V | A | 0.0000 | |
| 159 | S | A | 0.0000 | |
| 160 | S | A | 0.0000 | |
| 161 | Y | A | -0.0569 | |
| 162 | A | A | 0.0000 | |
| 163 | I | A | 0.0000 | |
| 164 | S | A | 0.0000 | |
| 165 | K | A | 0.0000 | |
| 166 | T | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | N | A | 0.0000 | |
| 170 | S | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | V | A | 0.0000 | |
| 173 | V | A | 0.0000 | |
| 174 | R | A | 0.0000 | |
| 175 | I | A | 0.0000 | |
| 176 | A | A | -0.4049 | |
| 177 | V | A | 0.1190 | |
| 178 | E | A | -0.1919 | |
| 179 | H | A | -0.7083 | |
| 180 | P | A | -1.4733 | |
| 181 | D | A | -2.5280 | |
| 182 | L | A | 0.0000 | |
| 183 | D | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | F | A | 0.0000 | |
| 186 | V | A | 0.0000 | |
| 187 | C | A | 0.0000 | |
| 188 | H | A | 0.0000 | |
| 189 | P | A | 0.0000 | |
| 190 | G | A | 0.0510 | |
| 191 | V | A | 0.7249 | |
| 192 | V | A | 0.0875 | |
| 193 | S | A | 0.0000 | |
| 194 | S | A | -0.9903 | |
| 195 | D | A | -1.7374 | |
| 196 | M | A | -0.0857 | |
| 197 | I | A | -0.3731 | |
| 198 | K | A | -1.7656 | |
| 199 | E | A | -2.0951 | |
| 200 | Y | A | -0.7845 | |
| 201 | V | A | 0.0000 | |
| 202 | A | A | -1.3652 | |
| 203 | K | A | -2.1870 | |
| 204 | T | A | -1.2810 | |
| 205 | G | A | -1.1335 | |
| 206 | T | A | -0.5432 | |
| 207 | A | A | -0.2678 | |
| 208 | L | A | 0.7244 | |
| 209 | S | A | -0.4282 | |
| 210 | D | A | -1.2150 | |
| 211 | F | A | 0.3504 | |
| 212 | E | A | -1.0153 | |
| 213 | S | A | -0.1932 | |
| 214 | M | A | 1.0884 | |
| 215 | G | A | 0.5487 | |
| 216 | M | A | 0.8129 | |
| 217 | I | A | 0.0320 | |
| 218 | T | A | -1.1961 | |
| 219 | P | A | 0.0000 | |
| 220 | E | A | -2.4602 | |
| 221 | E | A | -2.5105 | |
| 222 | S | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | A | A | -1.5469 | |
| 225 | S | A | -1.5916 | |
| 226 | L | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | K | A | -2.0991 | |
| 229 | L | A | -1.2684 | |
| 230 | F | A | 0.0000 | |
| 231 | D | A | -2.0507 | |
| 232 | G | A | -1.9727 | |
| 233 | A | A | 0.0000 | |
| 234 | K | A | -3.5242 | |
| 235 | K | A | -3.7446 | |
| 236 | E | A | -3.7706 | |
| 237 | T | A | -2.1271 | |
| 238 | H | A | -2.1671 | |
| 239 | S | A | -1.4191 | |
| 240 | G | A | -1.7858 | |
| 241 | K | A | -0.2904 | |
| 242 | F | A | 0.7144 | |
| 243 | F | A | 0.0000 | |
| 244 | N | A | 0.0000 | |
| 245 | V | A | 0.2136 | |
| 246 | D | A | -1.2393 | |
| 247 | G | A | -0.6350 | |
| 248 | T | A | 0.3827 | |
| 249 | F | A | 1.5394 | |
| 250 | L | A | 0.0000 | |
| 251 | P | A | 0.3706 | |
| 252 | W | A | 0.0000 | |
| 5 | T | B | -0.5377 | |
| 6 | P | B | -1.3696 | |
| 7 | N | B | -1.4986 | |
| 8 | V | B | 0.0000 | |
| 9 | Y | B | 0.0000 | |
| 10 | V | B | 0.0000 | |
| 11 | I | B | 0.0000 | |
| 12 | S | B | 0.0000 | |
| 13 | G | B | 0.0000 | |
| 14 | A | B | 0.0000 | |
| 15 | S | B | 0.0000 | |
| 16 | R | B | -1.9132 | |
| 17 | G | B | 0.0000 | |
| 18 | I | B | 0.0000 | |
| 19 | G | B | 0.0000 | |
| 20 | F | B | -0.0417 | |
| 21 | A | B | 0.0000 | |
| 22 | I | B | 0.0000 | |
| 23 | T | B | 0.0000 | |
| 24 | S | B | -0.2112 | |
| 25 | I | B | -0.1040 | |
| 26 | L | B | 0.0000 | |
| 27 | A | B | 0.0000 | |
| 28 | Q | B | -2.0879 | |
| 29 | R | B | -2.3095 | |
| 30 | D | B | -3.0828 | |
| 31 | N | B | -2.7118 | |
| 32 | V | B | 0.0000 | |
| 33 | L | B | -0.9608 | |
| 34 | I | B | 0.0000 | |
| 35 | F | B | 0.0000 | |
| 36 | A | B | 0.0000 | |
| 37 | G | B | 0.0000 | |
| 38 | A | B | 0.0000 | |
| 39 | R | B | -3.0862 | |
| 40 | D | B | -2.6048 | |
| 41 | L | B | -2.1668 | |
| 42 | K | B | -2.6665 | |
| 43 | S | B | -1.7357 | |
| 44 | T | B | 0.0000 | |
| 45 | Q | B | -1.1888 | |
| 46 | L | B | 0.2387 | |
| 47 | N | B | 0.0000 | |
| 48 | E | B | -1.0545 | |
| 49 | L | B | -0.1601 | |
| 50 | A | B | -0.4898 | |
| 51 | L | B | -0.7299 | |
| 52 | K | B | -1.6316 | |
| 53 | S | B | -1.2121 | |
| 54 | G | B | -1.2567 | |
| 55 | G | B | -1.2724 | |
| 56 | K | B | -1.6212 | |
| 57 | V | B | 0.0000 | |
| 58 | V | B | 0.0585 | |
| 59 | P | B | -0.4038 | |
| 60 | V | B | -0.9504 | |
| 61 | K | B | -2.4504 | |
| 62 | L | B | 0.0000 | |
| 63 | E | B | -1.8457 | |
| 64 | S | B | -0.5729 | |
| 65 | T | B | -0.0899 | |
| 66 | S | B | -0.5638 | |
| 67 | V | B | -0.1007 | |
| 68 | E | B | -1.5335 | |
| 69 | D | B | -1.5036 | |
| 70 | A | B | 0.0000 | |
| 71 | A | B | -0.7759 | |
| 72 | A | B | -0.9873 | |
| 73 | L | B | 0.0000 | |
| 74 | A | B | -1.5816 | |
| 75 | K | B | -2.7060 | |
| 76 | V | B | -1.7108 | |
| 77 | V | B | 0.0000 | |
| 78 | E | B | -3.8573 | |
| 79 | E | B | -3.7851 | |
| 80 | K | B | -3.1984 | |
| 81 | A | B | -1.9994 | |
| 82 | G | B | -2.4212 | |
| 83 | K | B | -1.9710 | |
| 84 | V | B | 0.0000 | |
| 85 | D | B | 0.0000 | |
| 86 | Y | B | 0.0000 | |
| 87 | V | B | 0.0000 | |
| 88 | L | B | 0.0000 | |
| 89 | A | B | 0.0000 | |
| 90 | V | B | 0.0000 | |
| 91 | A | B | -0.3511 | |
| 92 | G | B | -0.1056 | |
| 93 | I | B | -0.2274 | |
| 94 | S | B | -0.4450 | |
| 95 | Q | B | -0.6771 | |
| 96 | S | B | -0.4270 | |
| 97 | T | B | -0.0471 | |
| 98 | D | B | 0.0000 | |
| 99 | P | B | -0.1592 | |
| 100 | I | B | 0.0000 | |
| 101 | A | B | -0.7293 | |
| 102 | Q | B | -1.2969 | |
| 103 | V | B | 0.0000 | |
| 104 | P | B | -0.9229 | |
| 105 | L | B | -1.0686 | |
| 106 | D | B | -2.2456 | |
| 107 | D | B | -1.8446 | |
| 108 | V | B | 0.0000 | |
| 109 | R | B | -2.0411 | |
| 110 | R | B | -2.2435 | |
| 111 | H | B | 0.0000 | |
| 112 | F | B | 0.0000 | |
| 113 | E | B | 0.0000 | |
| 114 | V | B | -0.3087 | |
| 115 | N | B | 0.0000 | |
| 116 | T | B | 0.0000 | |
| 117 | I | B | 0.0000 | |
| 118 | G | B | 0.0000 | |
| 119 | P | B | 0.0000 | |
| 120 | L | B | 0.0000 | |
| 121 | V | B | 0.0000 | |
| 122 | L | B | 0.0000 | |
| 123 | F | B | 0.0000 | |
| 124 | Q | B | -0.3125 | |
| 125 | S | B | -0.3450 | |
| 126 | L | B | 0.0000 | |
| 127 | L | B | -0.1343 | |
| 128 | A | B | -0.5754 | |
| 129 | L | B | 0.0000 | |
| 130 | L | B | 0.0000 | |
| 131 | T | B | -1.1374 | |
| 132 | K | B | -2.0497 | |
| 133 | S | B | -1.1613 | |
| 134 | S | B | -1.0620 | |
| 135 | A | B | -1.3250 | |
| 136 | P | B | 0.0000 | |
| 137 | H | B | 0.0000 | |
| 138 | F | B | 0.0000 | |
| 139 | I | B | 0.0000 | |
| 140 | V | B | 0.0000 | |
| 141 | V | B | 0.0000 | |
| 142 | S | B | 0.0000 | |
| 143 | T | B | 0.0000 | |
| 144 | I | B | 1.3198 | |
| 145 | A | B | 0.0000 | |
| 146 | G | B | 0.0000 | |
| 147 | S | B | 0.0000 | |
| 148 | I | B | 0.0000 | |
| 149 | A | B | 0.0905 | |
| 150 | S | B | -0.0562 | |
| 151 | M | B | 0.0000 | |
| 152 | P | B | -0.4275 | |
| 153 | Q | B | -0.3480 | |
| 154 | F | B | 0.8281 | |
| 155 | L | B | 0.8926 | |
| 156 | F | B | 1.0149 | |
| 157 | P | B | 0.3384 | |
| 158 | V | B | 0.0000 | |
| 159 | S | B | 0.0000 | |
| 160 | S | B | 0.0000 | |
| 161 | Y | B | 0.0000 | |
| 162 | A | B | 0.0000 | |
| 163 | I | B | 0.0000 | |
| 164 | S | B | 0.0000 | |
| 165 | K | B | 0.0000 | |
| 166 | T | B | 0.0000 | |
| 167 | A | B | 0.0000 | |
| 168 | V | B | 0.0000 | |
| 169 | N | B | 0.0000 | |
| 170 | S | B | 0.0000 | |
| 171 | A | B | 0.0000 | |
| 172 | V | B | 0.0000 | |
| 173 | V | B | 0.0000 | |
| 174 | R | B | 0.0000 | |
| 175 | I | B | 0.0000 | |
| 176 | A | B | 0.0000 | |
| 177 | V | B | -1.0448 | |
| 178 | E | B | -2.0153 | |
| 179 | H | B | -1.8234 | |
| 180 | P | B | -1.8828 | |
| 181 | D | B | -2.7195 | |
| 182 | L | B | 0.0000 | |
| 183 | D | B | 0.0000 | |
| 184 | A | B | 0.0000 | |
| 185 | F | B | 0.0000 | |
| 186 | V | B | 0.0000 | |
| 187 | C | B | 0.0000 | |
| 188 | H | B | 0.3817 | |
| 189 | P | B | 0.0000 | |
| 190 | G | B | 0.3863 | |
| 191 | V | B | 0.0000 | |
| 192 | V | B | 1.8612 | |
| 193 | S | B | 0.6047 | |
| 194 | S | B | -0.1914 | |
| 195 | D | B | -0.6095 | |
| 196 | M | B | 0.0000 | |
| 197 | I | B | -1.1160 | |
| 198 | K | B | -2.6114 | |
| 199 | E | B | -2.6053 | |
| 200 | Y | B | -1.0706 | |
| 201 | V | B | -1.2008 | |
| 202 | A | B | -0.9838 | |
| 203 | K | B | -1.4283 | |
| 204 | T | B | -0.8622 | |
| 205 | G | B | -0.7483 | |
| 206 | T | B | -0.4885 | |
| 207 | A | B | -0.1867 | |
| 208 | L | B | -0.2354 | |
| 209 | S | B | -0.7823 | |
| 210 | D | B | -1.5722 | |
| 211 | F | B | 0.0430 | |
| 212 | E | B | -1.3507 | |
| 213 | S | B | -0.1570 | |
| 214 | M | B | 0.8632 | |
| 215 | G | B | 0.3654 | |
| 216 | M | B | 0.9371 | |
| 217 | I | B | 0.2751 | |
| 218 | T | B | 0.0000 | |
| 219 | P | B | 0.0000 | |
| 220 | E | B | -0.6755 | |
| 221 | E | B | -0.4666 | |
| 222 | S | B | 0.0000 | |
| 223 | A | B | 0.0000 | |
| 224 | A | B | -0.5664 | |
| 225 | S | B | -0.8617 | |
| 226 | L | B | 0.0000 | |
| 227 | V | B | 0.0000 | |
| 228 | K | B | -2.0097 | |
| 229 | L | B | -1.0281 | |
| 230 | F | B | 0.0000 | |
| 231 | D | B | -1.6434 | |
| 232 | G | B | -1.4344 | |
| 233 | A | B | -1.4488 | |
| 234 | K | B | -2.4433 | |
| 235 | K | B | -2.1825 | |
| 236 | E | B | -2.3481 | |
| 237 | T | B | -1.5261 | |
| 238 | H | B | -1.5246 | |
| 239 | S | B | 0.0000 | |
| 240 | G | B | -1.2255 | |
| 241 | K | B | -0.5401 | |
| 242 | F | B | 0.6412 | |
| 243 | F | B | 0.0000 | |
| 244 | N | B | 0.0000 | |
| 245 | V | B | 0.4495 | |
| 246 | D | B | -0.6748 | |
| 247 | G | B | -0.5782 | |
| 248 | T | B | 0.3066 | |
| 249 | F | B | 1.0719 | |
| 250 | L | B | 0.8185 | |
| 251 | P | B | 0.3994 | |
| 252 | W | B | 0.0000 |
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