| Chain sequence(s) |
A: APIIDIFQSSSILSRKSIRAFTDQPVTQETIREEILKLAARAPSGTNLQPWQVIVLTGKILQQKVGQELSSSQLVLSGIKKGEREYHYYPRRQWREPYLLSSRRRRRKVGLDLYKSLGIQKGDQEKMLHHQKAKNFLFYGAPVGLLFTIIDDHDMEMGSSWLDLGMFMQTIMLAARGFGLDTCAQAAFADYHKKQIRSSLLSVPSDRHIICCGMALGYRDMNAPPENNFEETEREPPIDNFVHFIKKSYP
B: APIDIFQSSSILSRKSIRAFTDDQPVTQETIREEILKLAARAPSGTNLQPWQVIVLTGKILQKVGQELSQLVLSGIKGEREYHYYPRRQWREPYLLSSRRRRRKVGLDLYKKSLLGIQKGDQQEKMLHQKAKNFLFYGAPVGLLFTIIDDHDMEMGSSWLDLGMFMQTIMLAARGFGLDTCAQAAFADYHKQIRSSLLSVPSDRHIICCGMALGYRDMNAPENNFETEREPIIDNNFFVHFIKSYP 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 (00:08:52)
[INFO] Main: Simulation completed successfully. (00:08:55)
|
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 | |
| 4 | A | A | 0.0424 | |
| 5 | P | A | -0.0954 | |
| 6 | I | A | 0.1746 | |
| 7 | D | A | -0.3258 | |
| 8 | I | A | 0.0000 | |
| 9 | F | A | 0.2365 | |
| 10 | Q | A | -0.4089 | |
| 11 | S | A | 0.0000 | |
| 12 | I | A | 0.0000 | |
| 13 | L | A | 1.0540 | |
| 14 | S | A | 0.2054 | |
| 15 | R | A | 0.0000 | |
| 16 | K | A | -0.7012 | |
| 17 | S | A | -0.4618 | |
| 18 | I | A | 0.0000 | |
| 19 | R | A | -0.9274 | |
| 20 | A | A | -0.6768 | |
| 21 | F | A | -0.9249 | |
| 22 | T | A | -1.3541 | |
| 23 | D | A | -2.4768 | |
| 24 | Q | A | -2.0337 | |
| 25 | P | A | -1.2671 | |
| 26 | V | A | -0.8223 | |
| 27 | T | A | -1.1904 | |
| 28 | Q | A | -1.8784 | |
| 29 | E | A | -2.6307 | |
| 30 | T | A | -1.7359 | |
| 31 | I | A | 0.0000 | |
| 32 | R | A | -2.4403 | |
| 33 | E | A | -2.4650 | |
| 34 | I | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | K | A | -2.4203 | |
| 37 | L | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | A | A | 0.0000 | |
| 40 | R | A | -0.8290 | |
| 41 | A | A | 0.0000 | |
| 42 | P | A | 0.0000 | |
| 43 | S | A | -0.1996 | |
| 44 | G | A | -0.2567 | |
| 45 | T | A | -0.8283 | |
| 46 | N | A | -1.1991 | |
| 47 | L | A | 0.0000 | |
| 48 | Q | A | 0.0000 | |
| 49 | P | A | 0.0000 | |
| 50 | W | A | 0.0000 | |
| 51 | Q | A | -0.6190 | |
| 52 | V | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | V | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | T | A | -1.3551 | |
| 57 | G | A | -1.8821 | |
| 58 | K | A | -2.7186 | |
| 59 | I | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | Q | A | -2.6191 | |
| 62 | K | A | -2.1075 | |
| 63 | V | A | 0.0000 | |
| 64 | G | A | 0.0000 | |
| 65 | Q | A | -2.3198 | |
| 66 | E | A | -1.9133 | |
| 67 | L | A | 0.0000 | |
| 68 | S | A | 0.0000 | |
| 69 | Q | A | -1.4102 | |
| 70 | L | A | -0.7349 | |
| 71 | V | A | 0.0000 | |
| 72 | L | A | -0.2824 | |
| 73 | S | A | -0.2527 | |
| 74 | G | A | -0.4436 | |
| 75 | I | A | -0.3106 | |
| 76 | K | A | -1.7469 | |
| 77 | G | A | -1.7692 | |
| 78 | E | A | -2.2513 | |
| 79 | R | A | -2.3307 | |
| 80 | E | A | -1.8769 | |
| 81 | Y | A | -0.9659 | |
| 82 | H | A | -1.4492 | |
| 83 | Y | A | 0.0000 | |
| 84 | Y | A | -0.5336 | |
| 85 | P | A | 0.0000 | |
| 86 | R | A | -2.6033 | |
| 87 | Q | A | -2.1266 | |
| 88 | W | A | -1.4641 | |
| 89 | R | A | -1.8605 | |
| 90 | E | A | -1.9490 | |
| 91 | P | A | -1.2459 | |
| 92 | Y | A | 0.0000 | |
| 93 | L | A | -1.4063 | |
| 94 | S | A | -1.5859 | |
| 95 | R | A | 0.0000 | |
| 96 | R | A | -2.0194 | |
| 97 | R | A | -2.7087 | |
| 98 | K | A | -2.3793 | |
| 99 | V | A | -1.8762 | |
| 100 | G | A | -1.7583 | |
| 101 | L | A | -1.9497 | |
| 102 | D | A | -2.0680 | |
| 103 | L | A | 0.0000 | |
| 104 | Y | A | -1.6497 | |
| 105 | K | A | -2.3459 | |
| 106 | S | A | -1.2412 | |
| 107 | L | A | -0.8557 | |
| 108 | G | A | -1.6005 | |
| 109 | I | A | 0.0000 | |
| 110 | Q | A | -2.9163 | |
| 111 | K | A | -3.1543 | |
| 112 | G | A | -2.6132 | |
| 113 | D | A | -3.0080 | |
| 114 | Q | A | -3.2278 | |
| 115 | E | A | -3.2038 | |
| 116 | K | A | -3.2002 | |
| 117 | M | A | -2.4192 | |
| 118 | L | A | -1.7204 | |
| 119 | H | A | -1.9530 | |
| 120 | Q | A | -1.7144 | |
| 121 | K | A | -1.6816 | |
| 122 | A | A | 0.0000 | |
| 123 | K | A | -1.5340 | |
| 124 | N | A | -0.9940 | |
| 125 | F | A | 0.0000 | |
| 126 | L | A | -0.8317 | |
| 127 | F | A | 0.0000 | |
| 128 | Y | A | 0.0000 | |
| 129 | G | A | -0.9831 | |
| 130 | A | A | 0.0000 | |
| 131 | P | A | -0.8864 | |
| 132 | V | A | 0.0000 | |
| 133 | G | A | 0.0000 | |
| 134 | L | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | F | A | 0.0000 | |
| 137 | T | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | D | A | -1.6918 | |
| 140 | H | A | -1.9868 | |
| 141 | D | A | 0.0000 | |
| 142 | M | A | 0.0000 | |
| 143 | E | A | -0.9001 | |
| 144 | M | A | -0.0798 | |
| 145 | G | A | -0.1412 | |
| 146 | S | A | 0.0000 | |
| 147 | W | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | D | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | G | A | 0.0000 | |
| 152 | M | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | M | A | 0.0000 | |
| 155 | Q | A | 0.0000 | |
| 156 | T | A | 0.0000 | |
| 157 | I | A | 0.0000 | |
| 158 | M | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | R | A | -0.2423 | |
| 163 | G | A | -0.0952 | |
| 164 | F | A | 0.1207 | |
| 165 | G | A | -0.2805 | |
| 166 | L | A | 0.0000 | |
| 167 | D | A | 0.0000 | |
| 168 | T | A | 0.0000 | |
| 169 | C | A | 0.0000 | |
| 170 | A | A | -0.1054 | |
| 171 | Q | A | 0.0000 | |
| 172 | A | A | -0.0703 | |
| 173 | A | A | -0.3173 | |
| 174 | F | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | D | A | 0.0000 | |
| 177 | Y | A | 0.0000 | |
| 178 | H | A | -1.5326 | |
| 179 | K | A | -2.0834 | |
| 180 | Q | A | -1.1219 | |
| 181 | I | A | 0.0000 | |
| 182 | R | A | -1.1788 | |
| 183 | S | A | -0.7464 | |
| 184 | L | A | -0.2752 | |
| 185 | L | A | 0.0000 | |
| 186 | S | A | -0.4116 | |
| 187 | V | A | 0.0000 | |
| 188 | P | A | -1.2586 | |
| 189 | S | A | -1.6584 | |
| 190 | D | A | -2.6738 | |
| 191 | R | A | -2.1286 | |
| 192 | H | A | -1.5822 | |
| 193 | I | A | 0.0000 | |
| 194 | I | A | 0.0000 | |
| 195 | C | A | 0.0000 | |
| 196 | G | A | 0.0000 | |
| 197 | M | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | G | A | 0.0000 | |
| 201 | Y | A | -0.4996 | |
| 202 | R | A | -0.7704 | |
| 203 | D | A | -1.1291 | |
| 204 | M | A | -0.1965 | |
| 205 | N | A | -1.3240 | |
| 206 | A | A | -1.0033 | |
| 207 | P | A | -1.2347 | |
| 208 | E | A | -1.4064 | |
| 209 | N | A | 0.0000 | |
| 210 | N | A | -1.8913 | |
| 211 | F | A | -1.7584 | |
| 212 | E | A | -2.3100 | |
| 213 | T | A | -1.6433 | |
| 214 | E | A | -1.3446 | |
| 215 | R | A | -1.2117 | |
| 216 | E | A | -1.5206 | |
| 217 | P | A | -1.7757 | |
| 218 | I | A | 0.0000 | |
| 219 | D | A | -2.9342 | |
| 220 | N | A | -2.4597 | |
| 221 | F | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | H | A | -1.3473 | |
| 224 | F | A | -0.7911 | |
| 225 | I | A | -0.8919 | |
| 226 | K | A | -2.3151 | |
| 227 | S | A | -1.5577 | |
| 228 | Y | A | -0.9642 | |
| 229 | P | A | -0.5007 | |
| 4 | A | B | 0.0619 | |
| 5 | P | B | 0.0256 | |
| 6 | I | B | 0.1383 | |
| 7 | D | B | -0.3530 | |
| 8 | I | B | 0.0000 | |
| 9 | F | B | 0.1498 | |
| 10 | Q | B | -0.5490 | |
| 11 | S | B | 0.0000 | |
| 12 | I | B | 0.0000 | |
| 13 | L | B | 0.9926 | |
| 14 | S | B | 0.1469 | |
| 15 | R | B | 0.0000 | |
| 16 | K | B | -0.7129 | |
| 17 | S | B | -0.4025 | |
| 18 | I | B | 0.0000 | |
| 19 | R | B | -0.6379 | |
| 20 | A | B | -0.6354 | |
| 21 | F | B | -0.8014 | |
| 22 | T | B | -1.3544 | |
| 23 | D | B | -2.3900 | |
| 24 | Q | B | -1.9064 | |
| 25 | P | B | -1.3010 | |
| 26 | V | B | 0.0000 | |
| 27 | T | B | -1.5470 | |
| 28 | Q | B | -2.2110 | |
| 29 | E | B | -2.8462 | |
| 30 | T | B | -1.9887 | |
| 31 | I | B | 0.0000 | |
| 32 | R | B | -2.6541 | |
| 33 | E | B | -2.7979 | |
| 34 | I | B | 0.0000 | |
| 35 | L | B | 0.0000 | |
| 36 | K | B | -2.6887 | |
| 37 | L | B | 0.0000 | |
| 38 | A | B | 0.0000 | |
| 39 | A | B | 0.0000 | |
| 40 | R | B | -0.6378 | |
| 41 | A | B | 0.0000 | |
| 42 | P | B | 0.0000 | |
| 43 | S | B | -0.1404 | |
| 44 | G | B | -0.1848 | |
| 45 | T | B | -0.6858 | |
| 46 | N | B | 0.0000 | |
| 47 | L | B | 0.0000 | |
| 48 | Q | B | 0.0000 | |
| 49 | P | B | 0.0000 | |
| 50 | W | B | 0.0000 | |
| 51 | Q | B | -0.7489 | |
| 52 | V | B | 0.0000 | |
| 53 | I | B | 0.0000 | |
| 54 | V | B | 0.0000 | |
| 55 | L | B | 0.0000 | |
| 56 | T | B | -1.5809 | |
| 57 | G | B | -2.2143 | |
| 58 | K | B | -2.8587 | |
| 59 | I | B | 0.0000 | |
| 60 | L | B | 0.0000 | |
| 61 | Q | B | -2.3822 | |
| 62 | K | B | -1.5827 | |
| 63 | V | B | 0.0000 | |
| 64 | G | B | 0.0000 | |
| 65 | Q | B | -1.4253 | |
| 66 | E | B | -1.4656 | |
| 67 | L | B | 0.0000 | |
| 68 | S | B | 0.0000 | |
| 69 | Q | B | -1.0733 | |
| 70 | L | B | -0.5256 | |
| 71 | V | B | 0.0000 | |
| 72 | L | B | 0.0520 | |
| 73 | S | B | -0.1108 | |
| 74 | G | B | -0.3369 | |
| 75 | I | B | -0.3443 | |
| 76 | K | B | -2.0109 | |
| 77 | G | B | -2.3392 | |
| 78 | E | B | -3.1733 | |
| 79 | R | B | -2.8834 | |
| 80 | E | B | -2.0622 | |
| 81 | Y | B | -1.0709 | |
| 82 | H | B | -1.3728 | |
| 83 | Y | B | 0.0000 | |
| 84 | Y | B | -0.4014 | |
| 85 | P | B | 0.0000 | |
| 86 | R | B | -1.8956 | |
| 87 | Q | B | -1.6220 | |
| 88 | W | B | -1.5460 | |
| 89 | R | B | -2.6370 | |
| 90 | E | B | -2.5924 | |
| 91 | P | B | -1.6109 | |
| 92 | Y | B | -1.4573 | |
| 93 | L | B | -1.7632 | |
| 94 | S | B | -1.9638 | |
| 95 | R | B | -2.1740 | |
| 96 | R | B | -2.1946 | |
| 97 | R | B | -2.6582 | |
| 98 | K | B | -2.7286 | |
| 99 | V | B | -1.9430 | |
| 100 | G | B | -1.2161 | |
| 101 | L | B | -1.0956 | |
| 102 | D | B | -1.1449 | |
| 103 | L | B | -0.7991 | |
| 104 | Y | B | -0.8442 | |
| 105 | K | B | -1.5516 | |
| 106 | S | B | -0.7979 | |
| 107 | L | B | -0.4761 | |
| 108 | G | B | -1.3496 | |
| 109 | I | B | -1.7989 | |
| 110 | Q | B | -2.6365 | |
| 111 | K | B | -2.6321 | |
| 112 | G | B | -2.4456 | |
| 113 | D | B | -2.6950 | |
| 114 | Q | B | -3.0352 | |
| 115 | E | B | -3.0863 | |
| 116 | K | B | -2.8461 | |
| 117 | M | B | -2.1515 | |
| 118 | L | B | -1.6447 | |
| 119 | H | B | -2.1240 | |
| 120 | Q | B | -1.7422 | |
| 121 | K | B | -1.8058 | |
| 122 | A | B | 0.0000 | |
| 123 | K | B | -1.0731 | |
| 124 | N | B | -0.7853 | |
| 125 | F | B | 0.0000 | |
| 126 | L | B | -0.1400 | |
| 127 | F | B | 0.0000 | |
| 128 | Y | B | 0.0000 | |
| 129 | G | B | -0.8006 | |
| 130 | A | B | 0.0000 | |
| 131 | P | B | -0.9088 | |
| 132 | V | B | 0.0000 | |
| 133 | G | B | 0.0000 | |
| 134 | L | B | 0.0000 | |
| 135 | L | B | 0.0000 | |
| 136 | F | B | 0.0000 | |
| 137 | T | B | 0.0000 | |
| 138 | I | B | 0.0000 | |
| 139 | D | B | -1.6140 | |
| 140 | H | B | -2.0534 | |
| 141 | D | B | -1.8253 | |
| 142 | M | B | 0.0000 | |
| 143 | E | B | -0.9942 | |
| 144 | M | B | -0.0941 | |
| 145 | G | B | -0.1248 | |
| 146 | S | B | 0.0000 | |
| 147 | W | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | D | B | 0.0000 | |
| 150 | L | B | 0.0000 | |
| 151 | G | B | 0.0000 | |
| 152 | M | B | 0.0000 | |
| 153 | F | B | 0.0000 | |
| 154 | M | B | 0.0000 | |
| 155 | Q | B | 0.0000 | |
| 156 | T | B | 0.0000 | |
| 157 | I | B | 0.0000 | |
| 158 | M | B | 0.0000 | |
| 159 | L | B | 0.0000 | |
| 160 | A | B | 0.0000 | |
| 161 | A | B | 0.0000 | |
| 162 | R | B | -0.3018 | |
| 163 | G | B | -0.1848 | |
| 164 | F | B | -0.0084 | |
| 165 | G | B | -0.2942 | |
| 166 | L | B | 0.0000 | |
| 167 | D | B | 0.0000 | |
| 168 | T | B | 0.0000 | |
| 169 | C | B | 0.0000 | |
| 170 | A | B | -0.0600 | |
| 171 | Q | B | 0.0000 | |
| 172 | A | B | -0.1296 | |
| 173 | A | B | -0.3887 | |
| 174 | F | B | 0.0000 | |
| 175 | A | B | 0.0000 | |
| 176 | D | B | -1.8787 | |
| 177 | Y | B | 0.0000 | |
| 178 | H | B | 0.0000 | |
| 179 | K | B | -2.5739 | |
| 180 | Q | B | -1.4358 | |
| 181 | I | B | 0.0000 | |
| 182 | R | B | -1.2498 | |
| 183 | S | B | -0.8690 | |
| 184 | L | B | -0.4257 | |
| 185 | L | B | 0.0000 | |
| 186 | S | B | -0.4372 | |
| 187 | V | B | 0.0000 | |
| 188 | P | B | -1.2341 | |
| 189 | S | B | -1.6504 | |
| 190 | D | B | -2.6841 | |
| 191 | R | B | -2.0996 | |
| 192 | H | B | -1.5123 | |
| 193 | I | B | 0.0000 | |
| 194 | I | B | 0.0000 | |
| 195 | C | B | 0.0000 | |
| 196 | G | B | 0.0000 | |
| 197 | M | B | 0.0000 | |
| 198 | A | B | 0.0000 | |
| 199 | L | B | 0.0000 | |
| 200 | G | B | 0.0000 | |
| 201 | Y | B | -0.3169 | |
| 202 | R | B | -0.5935 | |
| 203 | D | B | -0.9786 | |
| 204 | M | B | -0.1373 | |
| 205 | N | B | -1.2770 | |
| 206 | A | B | 0.0000 | |
| 207 | P | B | -1.0691 | |
| 208 | E | B | 0.0000 | |
| 209 | N | B | 0.0000 | |
| 210 | N | B | -1.7685 | |
| 211 | F | B | -1.5438 | |
| 212 | E | B | -2.4651 | |
| 213 | T | B | -2.1584 | |
| 214 | E | B | -2.7723 | |
| 215 | R | B | -1.9004 | |
| 216 | E | B | -1.8583 | |
| 217 | P | B | -1.9090 | |
| 218 | I | B | 0.0000 | |
| 219 | D | B | -2.7432 | |
| 220 | N | B | -2.4729 | |
| 221 | F | B | 0.0000 | |
| 222 | V | B | 0.0000 | |
| 223 | H | B | -1.3045 | |
| 224 | F | B | -0.6795 | |
| 225 | I | B | -0.7915 | |
| 226 | K | B | -2.2240 | |
| 227 | S | B | -1.5009 | |
| 228 | Y | B | -0.8930 | |
| 229 | P | B | -0.5155 |
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