| Chain sequence(s) |
A: MNISSYFFLNEENIRFNNQCLNTYIGYPQPISKDWPNLLAGFQRYIDDIINLNGFLYFFKGSLYLKFDIAKAEVVDRPNFIVDGWPGLEGTEFENGIDAAIELTTNTVCFFKGKYCVDYTIDSHTIKMNTISDRWGMTGKYAAFSSNLDAIISWPDIDGNFIYFFKGDSFIRFDPNLNALDAGPIIISSDNEGWRGLAFKNIQAAVSVDTDLLGSNRDNSGGN
B: MNISSYFFLNEENIRFNNQCLNTYIGYPQPISKDWPNLLAGFQRYIDDIINLNGFLYFFKGSLYLKFDIAKAEVVDRPNFIVDGWPGLEGTEFENGIDAAIELTTNTVCFFKGKYCVDYTIDSHTIKMNTISDRWGMTGKYAAFSSNLDAIISWPDIDGNFIYFFKGDSFIRFDPNLNALDAGPIIISSDNEGWRGLAFKNIQAAVSVDTDLLGSNRDNSGGN 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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:36)
[INFO] Main: Simulation completed successfully. (00:07:41)
|
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 | M | A | 0.0369 | |
| 2 | N | A | -1.1885 | |
| 3 | I | A | 0.0000 | |
| 4 | S | A | 0.0000 | |
| 5 | S | A | 0.0000 | |
| 6 | Y | A | 0.0000 | |
| 7 | F | A | 0.0000 | |
| 8 | F | A | 0.0000 | |
| 9 | L | A | -1.1514 | |
| 10 | N | A | -1.5469 | |
| 11 | E | A | -2.1090 | |
| 12 | E | A | -2.0320 | |
| 13 | N | A | 0.0000 | |
| 14 | I | A | 0.0000 | |
| 15 | R | A | -0.2753 | |
| 16 | F | A | 0.0000 | |
| 17 | N | A | -0.3561 | |
| 18 | N | A | 0.0000 | |
| 19 | Q | A | -0.8114 | |
| 20 | C | A | 0.4684 | |
| 21 | L | A | 0.6787 | |
| 22 | N | A | -0.5286 | |
| 23 | T | A | 0.0829 | |
| 24 | Y | A | 1.0772 | |
| 25 | I | A | 1.8002 | |
| 26 | G | A | 0.5908 | |
| 27 | Y | A | 0.2688 | |
| 28 | P | A | -0.3250 | |
| 29 | Q | A | -1.2711 | |
| 30 | P | A | -1.7772 | |
| 31 | I | A | 0.0000 | |
| 32 | S | A | -1.6545 | |
| 33 | K | A | -2.3179 | |
| 34 | D | A | -1.6167 | |
| 35 | W | A | 0.0000 | |
| 36 | P | A | -1.3705 | |
| 37 | N | A | -1.3348 | |
| 38 | L | A | 0.0000 | |
| 39 | L | A | 0.1004 | |
| 40 | A | A | -0.0424 | |
| 41 | G | A | -0.3665 | |
| 42 | F | A | 0.0000 | |
| 43 | Q | A | -1.1031 | |
| 44 | R | A | -1.2762 | |
| 45 | Y | A | 0.0000 | |
| 46 | I | A | 0.0000 | |
| 47 | D | A | -0.6814 | |
| 48 | D | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | I | A | 0.0000 | |
| 51 | N | A | -0.5051 | |
| 52 | L | A | 0.0000 | |
| 53 | N | A | -1.3584 | |
| 54 | G | A | -0.6779 | |
| 55 | F | A | -0.1826 | |
| 56 | L | A | 0.0000 | |
| 57 | Y | A | 0.1246 | |
| 58 | F | A | 0.0000 | |
| 59 | F | A | 0.0000 | |
| 60 | K | A | 0.0000 | |
| 61 | G | A | 0.0000 | |
| 62 | S | A | 0.0000 | |
| 63 | L | A | -0.0266 | |
| 64 | Y | A | -0.2852 | |
| 65 | L | A | 0.0000 | |
| 66 | K | A | -0.6589 | |
| 67 | F | A | 0.0000 | |
| 68 | D | A | 0.0000 | |
| 69 | I | A | 0.0000 | |
| 70 | A | A | -1.6415 | |
| 71 | K | A | -2.8339 | |
| 72 | A | A | -1.5441 | |
| 73 | E | A | -1.7579 | |
| 74 | V | A | -0.6258 | |
| 75 | V | A | -0.1591 | |
| 76 | D | A | -2.1986 | |
| 77 | R | A | -2.3932 | |
| 78 | P | A | -1.1290 | |
| 79 | N | A | -1.2726 | |
| 80 | F | A | -0.0576 | |
| 81 | I | A | 0.0000 | |
| 82 | V | A | -1.0359 | |
| 83 | D | A | -1.8631 | |
| 84 | G | A | -0.9457 | |
| 85 | W | A | 0.0000 | |
| 86 | P | A | -1.2050 | |
| 87 | G | A | -1.0568 | |
| 88 | L | A | 0.0000 | |
| 89 | E | A | -2.1605 | |
| 90 | G | A | -1.3517 | |
| 91 | T | A | -0.9847 | |
| 92 | E | A | -0.7900 | |
| 93 | F | A | 0.0000 | |
| 94 | E | A | 0.0000 | |
| 95 | N | A | 0.0000 | |
| 96 | G | A | -0.1675 | |
| 97 | I | A | 0.0000 | |
| 98 | D | A | -1.0077 | |
| 99 | A | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | I | A | 0.0000 | |
| 102 | E | A | -0.3063 | |
| 103 | L | A | -0.0333 | |
| 104 | T | A | -0.2750 | |
| 105 | T | A | -0.7840 | |
| 106 | N | A | -0.9633 | |
| 107 | T | A | -0.3698 | |
| 108 | V | A | 0.0000 | |
| 109 | C | A | 0.0000 | |
| 110 | F | A | 0.0000 | |
| 111 | F | A | 0.0000 | |
| 112 | K | A | -0.9806 | |
| 113 | G | A | -1.2644 | |
| 114 | K | A | -1.7644 | |
| 115 | Y | A | -0.7958 | |
| 116 | C | A | 0.0000 | |
| 117 | V | A | 0.0000 | |
| 118 | D | A | -0.5247 | |
| 119 | Y | A | 0.0000 | |
| 120 | T | A | -0.7936 | |
| 121 | I | A | -0.8085 | |
| 122 | D | A | -1.9381 | |
| 123 | S | A | -1.1676 | |
| 124 | H | A | -0.9565 | |
| 125 | T | A | -0.6689 | |
| 126 | I | A | -0.2867 | |
| 127 | K | A | -1.3353 | |
| 128 | M | A | -0.3925 | |
| 129 | N | A | -1.1121 | |
| 130 | T | A | -1.1883 | |
| 131 | I | A | 0.0000 | |
| 132 | S | A | -1.4644 | |
| 133 | D | A | -2.1470 | |
| 134 | R | A | -1.3551 | |
| 135 | W | A | 0.0000 | |
| 136 | G | A | -1.1692 | |
| 137 | M | A | 0.0000 | |
| 138 | T | A | -1.0210 | |
| 139 | G | A | -1.2981 | |
| 140 | K | A | -1.9044 | |
| 141 | Y | A | -0.9708 | |
| 142 | A | A | -0.6473 | |
| 143 | A | A | -0.4809 | |
| 144 | F | A | 0.0000 | |
| 145 | S | A | -0.9204 | |
| 146 | S | A | -1.1942 | |
| 147 | N | A | -1.2815 | |
| 148 | L | A | 0.0000 | |
| 149 | D | A | -1.2738 | |
| 150 | A | A | 0.0000 | |
| 151 | I | A | 0.0000 | |
| 152 | I | A | 0.0000 | |
| 153 | S | A | -0.3324 | |
| 154 | W | A | -0.3461 | |
| 155 | P | A | -0.9158 | |
| 156 | D | A | -1.6565 | |
| 157 | I | A | 0.1267 | |
| 158 | D | A | -1.6442 | |
| 159 | G | A | -1.2703 | |
| 160 | N | A | -1.2939 | |
| 161 | F | A | -0.8647 | |
| 162 | I | A | 0.0000 | |
| 163 | Y | A | -0.0026 | |
| 164 | F | A | 0.0000 | |
| 165 | F | A | 0.0000 | |
| 166 | K | A | -1.2124 | |
| 167 | G | A | -1.3303 | |
| 168 | D | A | -1.3061 | |
| 169 | S | A | -0.2524 | |
| 170 | F | A | 0.0000 | |
| 171 | I | A | 0.0000 | |
| 172 | R | A | -0.4819 | |
| 173 | F | A | 0.0000 | |
| 174 | D | A | -0.7237 | |
| 175 | P | A | -0.9007 | |
| 176 | N | A | -1.2683 | |
| 177 | L | A | 0.1555 | |
| 178 | N | A | -1.0905 | |
| 179 | A | A | -0.5993 | |
| 180 | L | A | -0.3958 | |
| 181 | D | A | -0.7951 | |
| 182 | A | A | -0.8971 | |
| 183 | G | A | -0.5587 | |
| 184 | P | A | -0.3353 | |
| 185 | I | A | 0.1590 | |
| 186 | I | A | 0.4359 | |
| 187 | I | A | 0.0000 | |
| 188 | S | A | -1.4081 | |
| 189 | S | A | -1.6889 | |
| 190 | D | A | -3.2964 | |
| 191 | N | A | -3.0416 | |
| 192 | E | A | -2.8269 | |
| 193 | G | A | -1.6841 | |
| 194 | W | A | 0.0000 | |
| 195 | R | A | -2.2936 | |
| 196 | G | A | -1.0511 | |
| 197 | L | A | 0.0000 | |
| 198 | A | A | -0.7496 | |
| 199 | F | A | 0.0000 | |
| 200 | K | A | -2.0470 | |
| 201 | N | A | -1.6902 | |
| 202 | I | A | 0.0000 | |
| 203 | Q | A | -0.8373 | |
| 204 | A | A | 0.0000 | |
| 205 | A | A | 0.0000 | |
| 206 | V | A | 0.0000 | |
| 207 | S | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | D | A | -0.7405 | |
| 210 | T | A | -0.8495 | |
| 211 | D | A | -1.5690 | |
| 212 | L | A | -0.6835 | |
| 213 | L | A | -0.9567 | |
| 214 | G | A | 0.0000 | |
| 215 | S | A | -1.9816 | |
| 216 | N | A | -3.2088 | |
| 217 | R | A | -4.4051 | |
| 218 | D | A | -4.0859 | |
| 219 | N | A | -3.3100 | |
| 220 | S | A | -2.3087 | |
| 221 | G | A | -2.0528 | |
| 222 | G | A | -1.8929 | |
| 223 | N | A | -1.8322 | |
| 1 | M | B | 0.0366 | |
| 2 | N | B | -1.1951 | |
| 3 | I | B | 0.0000 | |
| 4 | S | B | 0.0000 | |
| 5 | S | B | 0.0000 | |
| 6 | Y | B | 0.0000 | |
| 7 | F | B | 0.0000 | |
| 8 | F | B | 0.0000 | |
| 9 | L | B | -1.1114 | |
| 10 | N | B | -1.5792 | |
| 11 | E | B | -2.1820 | |
| 12 | E | B | -2.0440 | |
| 13 | N | B | 0.0000 | |
| 14 | I | B | 0.0000 | |
| 15 | R | B | -0.2726 | |
| 16 | F | B | 0.0000 | |
| 17 | N | B | -0.4574 | |
| 18 | N | B | 0.0000 | |
| 19 | Q | B | -0.9215 | |
| 20 | C | B | 0.2931 | |
| 21 | L | B | 0.1601 | |
| 22 | N | B | -0.6415 | |
| 23 | T | B | 0.0622 | |
| 24 | Y | B | 1.0559 | |
| 25 | I | B | 1.8077 | |
| 26 | G | B | 0.5928 | |
| 27 | Y | B | 0.2691 | |
| 28 | P | B | -0.3353 | |
| 29 | Q | B | -1.2789 | |
| 30 | P | B | -1.7904 | |
| 31 | I | B | 0.0000 | |
| 32 | S | B | -1.6639 | |
| 33 | K | B | -2.3096 | |
| 34 | D | B | -1.6123 | |
| 35 | W | B | 0.0000 | |
| 36 | P | B | -1.3428 | |
| 37 | N | B | -1.2506 | |
| 38 | L | B | 0.0000 | |
| 39 | L | B | 0.0894 | |
| 40 | A | B | -0.0740 | |
| 41 | G | B | -0.4124 | |
| 42 | F | B | 0.0000 | |
| 43 | Q | B | -1.1519 | |
| 44 | R | B | -1.3592 | |
| 45 | Y | B | 0.0000 | |
| 46 | I | B | 0.0000 | |
| 47 | D | B | -0.6169 | |
| 48 | D | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | I | B | 0.0000 | |
| 51 | N | B | -0.4970 | |
| 52 | L | B | 0.0000 | |
| 53 | N | B | -1.3767 | |
| 54 | G | B | -0.7086 | |
| 55 | F | B | -0.2298 | |
| 56 | L | B | 0.0000 | |
| 57 | Y | B | 0.0966 | |
| 58 | F | B | 0.0000 | |
| 59 | F | B | 0.0000 | |
| 60 | K | B | 0.0000 | |
| 61 | G | B | 0.0000 | |
| 62 | S | B | 0.0000 | |
| 63 | L | B | -0.0188 | |
| 64 | Y | B | -0.2826 | |
| 65 | L | B | 0.0000 | |
| 66 | K | B | -0.6877 | |
| 67 | F | B | 0.0000 | |
| 68 | D | B | -0.7295 | |
| 69 | I | B | 0.0000 | |
| 70 | A | B | -1.6530 | |
| 71 | K | B | -2.7702 | |
| 72 | A | B | -1.5116 | |
| 73 | E | B | -1.6964 | |
| 74 | V | B | -0.5788 | |
| 75 | V | B | -0.1488 | |
| 76 | D | B | -2.1949 | |
| 77 | R | B | -2.3858 | |
| 78 | P | B | -1.1232 | |
| 79 | N | B | -1.2619 | |
| 80 | F | B | -0.0417 | |
| 81 | I | B | 0.0000 | |
| 82 | V | B | -1.0073 | |
| 83 | D | B | -1.8470 | |
| 84 | G | B | -0.9361 | |
| 85 | W | B | 0.0000 | |
| 86 | P | B | -1.1965 | |
| 87 | G | B | -1.0545 | |
| 88 | L | B | 0.0000 | |
| 89 | E | B | -2.1457 | |
| 90 | G | B | -1.3290 | |
| 91 | T | B | -0.9405 | |
| 92 | E | B | -0.7539 | |
| 93 | F | B | 0.0000 | |
| 94 | E | B | 0.0000 | |
| 95 | N | B | 0.0000 | |
| 96 | G | B | -0.1558 | |
| 97 | I | B | 0.0000 | |
| 98 | D | B | -0.8746 | |
| 99 | A | B | 0.0000 | |
| 100 | A | B | 0.0000 | |
| 101 | I | B | 0.0000 | |
| 102 | E | B | -0.2786 | |
| 103 | L | B | -0.0184 | |
| 104 | T | B | -0.2462 | |
| 105 | T | B | -0.7725 | |
| 106 | N | B | -0.9555 | |
| 107 | T | B | -0.3522 | |
| 108 | V | B | 0.0000 | |
| 109 | C | B | 0.0000 | |
| 110 | F | B | 0.0000 | |
| 111 | F | B | 0.0000 | |
| 112 | K | B | -1.0500 | |
| 113 | G | B | -1.2631 | |
| 114 | K | B | -1.7521 | |
| 115 | Y | B | -0.7347 | |
| 116 | C | B | 0.0000 | |
| 117 | V | B | 0.0000 | |
| 118 | D | B | -0.5110 | |
| 119 | Y | B | 0.0000 | |
| 120 | T | B | -0.7985 | |
| 121 | I | B | -0.8102 | |
| 122 | D | B | -1.9400 | |
| 123 | S | B | -1.1744 | |
| 124 | H | B | -0.9623 | |
| 125 | T | B | -0.6769 | |
| 126 | I | B | -0.2840 | |
| 127 | K | B | -1.3147 | |
| 128 | M | B | -0.3245 | |
| 129 | N | B | -1.0805 | |
| 130 | T | B | -1.1690 | |
| 131 | I | B | 0.0000 | |
| 132 | S | B | -1.4818 | |
| 133 | D | B | -2.1537 | |
| 134 | R | B | -1.3681 | |
| 135 | W | B | 0.0000 | |
| 136 | G | B | -1.2030 | |
| 137 | M | B | 0.0000 | |
| 138 | T | B | -1.0646 | |
| 139 | G | B | -1.3370 | |
| 140 | K | B | -1.9634 | |
| 141 | Y | B | 0.0000 | |
| 142 | A | B | -0.7104 | |
| 143 | A | B | -0.5053 | |
| 144 | F | B | 0.0000 | |
| 145 | S | B | -0.9254 | |
| 146 | S | B | -1.1551 | |
| 147 | N | B | -1.1976 | |
| 148 | L | B | 0.0000 | |
| 149 | D | B | -1.0405 | |
| 150 | A | B | 0.0000 | |
| 151 | I | B | 0.0000 | |
| 152 | I | B | 0.0000 | |
| 153 | S | B | -0.3684 | |
| 154 | W | B | -0.3447 | |
| 155 | P | B | -0.8375 | |
| 156 | D | B | -1.3757 | |
| 157 | I | B | 0.2498 | |
| 158 | D | B | -1.6035 | |
| 159 | G | B | -1.3585 | |
| 160 | N | B | -1.5632 | |
| 161 | F | B | -1.0312 | |
| 162 | I | B | 0.0000 | |
| 163 | Y | B | -0.0554 | |
| 164 | F | B | 0.0000 | |
| 165 | F | B | 0.0000 | |
| 166 | K | B | -1.0763 | |
| 167 | G | B | -1.1780 | |
| 168 | D | B | -1.2130 | |
| 169 | S | B | -0.1991 | |
| 170 | F | B | 0.0000 | |
| 171 | I | B | 0.0000 | |
| 172 | R | B | -0.5360 | |
| 173 | F | B | 0.0000 | |
| 174 | D | B | -0.9196 | |
| 175 | P | B | -1.0465 | |
| 176 | N | B | -1.3759 | |
| 177 | L | B | 0.1105 | |
| 178 | N | B | -1.1366 | |
| 179 | A | B | -0.6584 | |
| 180 | L | B | -0.4785 | |
| 181 | D | B | -0.8796 | |
| 182 | A | B | -0.9516 | |
| 183 | G | B | -0.5885 | |
| 184 | P | B | -0.3554 | |
| 185 | I | B | 0.1646 | |
| 186 | I | B | 0.4663 | |
| 187 | I | B | 0.0000 | |
| 188 | S | B | -1.3287 | |
| 189 | S | B | -1.6336 | |
| 190 | D | B | -3.1276 | |
| 191 | N | B | -3.0050 | |
| 192 | E | B | -2.7886 | |
| 193 | G | B | -1.6525 | |
| 194 | W | B | 0.0000 | |
| 195 | R | B | -2.1849 | |
| 196 | G | B | -1.0013 | |
| 197 | L | B | 0.0000 | |
| 198 | A | B | -0.7061 | |
| 199 | F | B | 0.0000 | |
| 200 | K | B | -1.9621 | |
| 201 | N | B | -1.4966 | |
| 202 | I | B | 0.0000 | |
| 203 | Q | B | -0.7251 | |
| 204 | A | B | 0.0000 | |
| 205 | A | B | 0.0000 | |
| 206 | V | B | 0.0000 | |
| 207 | S | B | 0.0000 | |
| 208 | V | B | 0.0000 | |
| 209 | D | B | -0.7216 | |
| 210 | T | B | -0.8486 | |
| 211 | D | B | -1.5689 | |
| 212 | L | B | -0.6995 | |
| 213 | L | B | -0.9790 | |
| 214 | G | B | 0.0000 | |
| 215 | S | B | -1.9578 | |
| 216 | N | B | -3.1848 | |
| 217 | R | B | -4.3782 | |
| 218 | D | B | -4.0714 | |
| 219 | N | B | -3.3150 | |
| 220 | S | B | -2.2941 | |
| 221 | G | B | -2.0966 | |
| 222 | G | B | -1.9010 | |
| 223 | N | B | -1.8279 |
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