| Chain sequence(s) |
A: MLGAVETANPATGVQEGLDSLAATLTQKMEAARLEMAAKLRESADGRFDRMERKLGEMAAHVQAAEQRSAQAIERMGREIVGVADAFNRRVHAAESRNASAIEQVGGEVARIAASVEHKLNRADSVQAQALEKLGGEIARITEKLAERIGSAERRNALAIDDVGEQVARVTERLNQRHERSA
B: MLGAVETANPATGVQEGLDSLAATLTQKMEAARLEMAAKLRESADGRFDRMERKLGEMAAHVQAAEQRSAQAIERMGREIVGVADAFNRRVHAAESRNASAIEQVGGEVARIAASVEHKLNRADSVQAQALEKLGGEIARITEKLAERIGSAERRNALAIDDVGEQVARVTERLNQRHERSA input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 5 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 (00:07:43)
[INFO] Main: Simulation completed successfully. (00:07:46)
|
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 | 1.3383 | |
| 2 | L | A | 1.6541 | |
| 3 | G | A | -0.1649 | |
| 4 | A | A | 0.3051 | |
| 5 | V | A | 1.4446 | |
| 6 | E | A | -1.5027 | |
| 7 | T | A | -0.3984 | |
| 8 | A | A | -0.1901 | |
| 9 | N | A | -1.3081 | |
| 10 | P | A | -0.4833 | |
| 11 | A | A | -0.0480 | |
| 12 | T | A | -0.1353 | |
| 13 | G | A | -0.3961 | |
| 14 | V | A | 0.2540 | |
| 15 | Q | A | -0.6500 | |
| 16 | E | A | -1.9401 | |
| 17 | G | A | -0.5491 | |
| 18 | L | A | 0.0000 | |
| 19 | D | A | -1.6085 | |
| 20 | S | A | -0.3714 | |
| 21 | L | A | 0.6312 | |
| 22 | A | A | 0.0000 | |
| 23 | A | A | 0.0508 | |
| 24 | T | A | 0.0549 | |
| 25 | L | A | 0.4691 | |
| 26 | T | A | -0.1569 | |
| 27 | Q | A | -1.5067 | |
| 28 | K | A | -1.8839 | |
| 29 | M | A | -0.2139 | |
| 30 | E | A | -0.3958 | |
| 31 | A | A | -0.0289 | |
| 32 | A | A | -0.0211 | |
| 33 | R | A | -0.1286 | |
| 34 | L | A | 0.9550 | |
| 35 | E | A | -1.5513 | |
| 36 | M | A | -0.1821 | |
| 37 | A | A | 0.0367 | |
| 38 | A | A | -0.2753 | |
| 39 | K | A | -1.6423 | |
| 40 | L | A | -0.3398 | |
| 41 | R | A | -2.1215 | |
| 42 | E | A | -2.1866 | |
| 43 | S | A | -0.5079 | |
| 44 | A | A | -0.3329 | |
| 45 | D | A | -1.6943 | |
| 46 | G | A | -0.7299 | |
| 47 | R | A | -1.8263 | |
| 48 | F | A | -0.5841 | |
| 49 | D | A | -1.8199 | |
| 50 | R | A | -2.0922 | |
| 51 | M | A | -0.5177 | |
| 52 | E | A | -2.1242 | |
| 53 | R | A | -2.4765 | |
| 54 | K | A | -1.9973 | |
| 55 | L | A | -0.1655 | |
| 56 | G | A | -0.6214 | |
| 57 | E | A | -1.8530 | |
| 58 | M | A | -0.2784 | |
| 59 | A | A | 0.0574 | |
| 60 | A | A | -0.1153 | |
| 61 | H | A | -0.9235 | |
| 62 | V | A | -0.1677 | |
| 63 | Q | A | -1.1523 | |
| 64 | A | A | -0.1938 | |
| 65 | A | A | -0.1939 | |
| 66 | E | A | -1.3460 | |
| 67 | Q | A | -1.3455 | |
| 68 | R | A | -1.9933 | |
| 69 | S | A | -0.3636 | |
| 70 | A | A | -0.0949 | |
| 71 | Q | A | -0.6174 | |
| 72 | A | A | 0.0217 | |
| 73 | I | A | 0.3242 | |
| 74 | E | A | -2.0313 | |
| 75 | R | A | -2.1417 | |
| 76 | M | A | -0.3924 | |
| 77 | G | A | -0.4408 | |
| 78 | R | A | -2.1947 | |
| 79 | E | A | -2.1074 | |
| 80 | I | A | 0.3659 | |
| 81 | V | A | 1.7721 | |
| 82 | G | A | -0.0672 | |
| 83 | V | A | 0.8841 | |
| 84 | A | A | 0.0097 | |
| 85 | D | A | -0.9624 | |
| 86 | A | A | -0.1586 | |
| 87 | F | A | 0.0000 | |
| 88 | N | A | -1.0636 | |
| 89 | R | A | -2.3081 | |
| 90 | R | A | -2.1766 | |
| 91 | V | A | 0.0000 | |
| 92 | H | A | -0.9843 | |
| 93 | A | A | -0.1458 | |
| 94 | A | A | -0.3106 | |
| 95 | E | A | -1.8566 | |
| 96 | S | A | -0.8709 | |
| 97 | R | A | -1.9066 | |
| 98 | N | A | -0.4601 | |
| 99 | A | A | -0.0091 | |
| 100 | S | A | -0.1125 | |
| 101 | A | A | 0.0969 | |
| 102 | I | A | 0.3130 | |
| 103 | E | A | -1.9193 | |
| 104 | Q | A | -1.4524 | |
| 105 | V | A | -0.0459 | |
| 106 | G | A | -0.2589 | |
| 107 | G | A | -0.4873 | |
| 108 | E | A | -1.7411 | |
| 109 | V | A | 0.0014 | |
| 110 | A | A | -0.2116 | |
| 111 | R | A | -1.7213 | |
| 112 | I | A | 0.2946 | |
| 113 | A | A | 0.1403 | |
| 114 | A | A | 0.0038 | |
| 115 | S | A | -0.1739 | |
| 116 | V | A | -0.1927 | |
| 117 | E | A | -1.9665 | |
| 118 | H | A | -1.6229 | |
| 119 | K | A | -1.8459 | |
| 120 | L | A | -0.3616 | |
| 121 | N | A | -1.5736 | |
| 122 | R | A | -2.0669 | |
| 123 | A | A | -0.6196 | |
| 124 | D | A | -1.7998 | |
| 125 | S | A | -0.0969 | |
| 126 | V | A | 1.6943 | |
| 127 | Q | A | -0.0185 | |
| 128 | A | A | -0.2413 | |
| 129 | Q | A | -1.1252 | |
| 130 | A | A | -0.1280 | |
| 131 | L | A | 0.0203 | |
| 132 | E | A | -2.0610 | |
| 133 | K | A | -1.9482 | |
| 134 | L | A | 0.0712 | |
| 135 | G | A | -0.1676 | |
| 136 | G | A | -0.4559 | |
| 137 | E | A | -1.7965 | |
| 138 | I | A | -0.0976 | |
| 139 | A | A | -0.2501 | |
| 140 | R | A | -1.7728 | |
| 141 | I | A | 0.0245 | |
| 142 | T | A | -0.2891 | |
| 143 | E | A | -2.0412 | |
| 144 | K | A | -1.5042 | |
| 145 | L | A | -0.1917 | |
| 146 | A | A | -0.2477 | |
| 147 | E | A | -2.0921 | |
| 148 | R | A | -1.8772 | |
| 149 | I | A | 0.0000 | |
| 150 | G | A | -0.0950 | |
| 151 | S | A | -0.0794 | |
| 152 | A | A | -0.3311 | |
| 153 | E | A | -2.1485 | |
| 154 | R | A | -2.4997 | |
| 155 | R | A | -2.2287 | |
| 156 | N | A | -0.6274 | |
| 157 | A | A | 0.2636 | |
| 158 | L | A | 1.5572 | |
| 159 | A | A | 0.3986 | |
| 160 | I | A | 0.2868 | |
| 161 | D | A | -2.0242 | |
| 162 | D | A | -2.0611 | |
| 163 | V | A | -0.1147 | |
| 164 | G | A | -0.7173 | |
| 165 | E | A | -1.8927 | |
| 166 | Q | A | -1.0652 | |
| 167 | V | A | 0.0852 | |
| 168 | A | A | -0.2070 | |
| 169 | R | A | -1.5408 | |
| 170 | V | A | -0.0279 | |
| 171 | T | A | -0.3120 | |
| 172 | E | A | -2.1513 | |
| 173 | R | A | -2.1272 | |
| 174 | L | A | -0.2857 | |
| 175 | N | A | -1.0394 | |
| 176 | Q | A | -1.2342 | |
| 177 | R | A | -2.1525 | |
| 178 | H | A | -1.6465 | |
| 179 | E | A | -2.3226 | |
| 180 | R | A | -2.2042 | |
| 181 | S | A | -0.5343 | |
| 182 | A | A | 0.0193 | |
| 1 | M | B | 1.3373 | |
| 2 | L | B | 1.6544 | |
| 3 | G | B | -0.1681 | |
| 4 | A | B | 0.3064 | |
| 5 | V | B | 1.4413 | |
| 6 | E | B | -1.4994 | |
| 7 | T | B | -0.3981 | |
| 8 | A | B | -0.1850 | |
| 9 | N | B | -1.2688 | |
| 10 | P | B | -0.4762 | |
| 11 | A | B | -0.0464 | |
| 12 | T | B | -0.1710 | |
| 13 | G | B | -0.3856 | |
| 14 | V | B | 0.2951 | |
| 15 | Q | B | -0.6835 | |
| 16 | E | B | -1.9425 | |
| 17 | G | B | -0.5216 | |
| 18 | L | B | 0.0000 | |
| 19 | D | B | -1.5438 | |
| 20 | S | B | -0.3652 | |
| 21 | L | B | 0.5849 | |
| 22 | A | B | 0.0000 | |
| 23 | A | B | 0.0479 | |
| 24 | T | B | 0.0212 | |
| 25 | L | B | 0.3723 | |
| 26 | T | B | -0.1709 | |
| 27 | Q | B | -1.5051 | |
| 28 | K | B | -1.8846 | |
| 29 | M | B | -0.2201 | |
| 30 | E | B | -0.3943 | |
| 31 | A | B | -0.0290 | |
| 32 | A | B | -0.0209 | |
| 33 | R | B | -0.1433 | |
| 34 | L | B | 0.8622 | |
| 35 | E | B | -1.5369 | |
| 36 | M | B | 0.0008 | |
| 37 | A | B | 0.0702 | |
| 38 | A | B | -0.2748 | |
| 39 | K | B | -1.6634 | |
| 40 | L | B | -0.4550 | |
| 41 | R | B | -2.1407 | |
| 42 | E | B | -2.1873 | |
| 43 | S | B | -0.5175 | |
| 44 | A | B | -0.3510 | |
| 45 | D | B | -1.8086 | |
| 46 | G | B | -0.7662 | |
| 47 | R | B | -1.8646 | |
| 48 | F | B | 0.0000 | |
| 49 | D | B | -2.1208 | |
| 50 | R | B | -2.1362 | |
| 51 | M | B | -0.5001 | |
| 52 | E | B | -2.1228 | |
| 53 | R | B | -2.4008 | |
| 54 | K | B | -1.6074 | |
| 55 | L | B | 0.0000 | |
| 56 | G | B | -0.7168 | |
| 57 | E | B | -1.8543 | |
| 58 | M | B | -0.2247 | |
| 59 | A | B | 0.0798 | |
| 60 | A | B | -0.1125 | |
| 61 | H | B | -0.9206 | |
| 62 | V | B | -0.1797 | |
| 63 | Q | B | -1.1545 | |
| 64 | A | B | -0.1941 | |
| 65 | A | B | -0.2277 | |
| 66 | E | B | -1.5362 | |
| 67 | Q | B | -1.4602 | |
| 68 | R | B | -2.0093 | |
| 69 | S | B | -0.3649 | |
| 70 | A | B | -0.1572 | |
| 71 | Q | B | -1.0633 | |
| 72 | A | B | -0.0476 | |
| 73 | I | B | 0.3928 | |
| 74 | E | B | -1.9735 | |
| 75 | R | B | -2.1335 | |
| 76 | M | B | -0.4004 | |
| 77 | G | B | -0.4503 | |
| 78 | R | B | -2.1966 | |
| 79 | E | B | -2.1052 | |
| 80 | I | B | 0.3826 | |
| 81 | V | B | 1.7749 | |
| 82 | G | B | -0.1413 | |
| 83 | V | B | 0.4794 | |
| 84 | A | B | -0.2065 | |
| 85 | D | B | -1.7775 | |
| 86 | A | B | -0.2304 | |
| 87 | F | B | 0.0260 | |
| 88 | N | B | -1.5590 | |
| 89 | R | B | -2.4047 | |
| 90 | R | B | -2.1173 | |
| 91 | V | B | -0.1792 | |
| 92 | H | B | -0.9200 | |
| 93 | A | B | -0.1190 | |
| 94 | A | B | -0.3030 | |
| 95 | E | B | -1.8560 | |
| 96 | S | B | -0.8715 | |
| 97 | R | B | -1.9656 | |
| 98 | N | B | -0.7869 | |
| 99 | A | B | -0.0667 | |
| 100 | S | B | -0.0772 | |
| 101 | A | B | 0.1205 | |
| 102 | I | B | 0.3900 | |
| 103 | E | B | -1.9061 | |
| 104 | Q | B | -1.4608 | |
| 105 | V | B | 0.0918 | |
| 106 | G | B | -0.2550 | |
| 107 | G | B | -0.4884 | |
| 108 | E | B | -1.7845 | |
| 109 | V | B | -0.0106 | |
| 110 | A | B | -0.2151 | |
| 111 | R | B | -1.7185 | |
| 112 | I | B | 0.3066 | |
| 113 | A | B | 0.1428 | |
| 114 | A | B | 0.0014 | |
| 115 | S | B | -0.1660 | |
| 116 | V | B | -0.1475 | |
| 117 | E | B | -1.9579 | |
| 118 | H | B | -1.6220 | |
| 119 | K | B | -1.8768 | |
| 120 | L | B | 0.0000 | |
| 121 | N | B | -1.6053 | |
| 122 | R | B | -2.0683 | |
| 123 | A | B | -0.6239 | |
| 124 | D | B | -1.7976 | |
| 125 | S | B | -0.0754 | |
| 126 | V | B | 1.7052 | |
| 127 | Q | B | 0.0296 | |
| 128 | A | B | -0.2360 | |
| 129 | Q | B | -1.1888 | |
| 130 | A | B | -0.1319 | |
| 131 | L | B | 0.0434 | |
| 132 | E | B | -2.0588 | |
| 133 | K | B | -1.9780 | |
| 134 | L | B | -0.0905 | |
| 135 | G | B | -0.2043 | |
| 136 | G | B | -0.4147 | |
| 137 | E | B | -1.5377 | |
| 138 | I | B | 0.0102 | |
| 139 | A | B | -0.2475 | |
| 140 | R | B | -1.7647 | |
| 141 | I | B | 0.0771 | |
| 142 | T | B | -0.2842 | |
| 143 | E | B | -2.1298 | |
| 144 | K | B | -1.9954 | |
| 145 | L | B | -0.1354 | |
| 146 | A | B | -0.2424 | |
| 147 | E | B | -2.1407 | |
| 148 | R | B | -2.1118 | |
| 149 | I | B | -0.0203 | |
| 150 | G | B | -0.0316 | |
| 151 | S | B | -0.0741 | |
| 152 | A | B | -0.3282 | |
| 153 | E | B | -2.1432 | |
| 154 | R | B | -2.4976 | |
| 155 | R | B | -2.2178 | |
| 156 | N | B | -0.5530 | |
| 157 | A | B | 0.2807 | |
| 158 | L | B | 1.5580 | |
| 159 | A | B | 0.4471 | |
| 160 | I | B | 0.5455 | |
| 161 | D | B | -1.9801 | |
| 162 | D | B | -2.0625 | |
| 163 | V | B | -0.1277 | |
| 164 | G | B | -0.6419 | |
| 165 | E | B | -1.5446 | |
| 166 | Q | B | -1.0711 | |
| 167 | V | B | 0.0906 | |
| 168 | A | B | -0.2831 | |
| 169 | R | B | -1.2444 | |
| 170 | V | B | 0.0745 | |
| 171 | T | B | -0.3013 | |
| 172 | E | B | -2.0876 | |
| 173 | R | B | -1.7624 | |
| 174 | L | B | -0.2830 | |
| 175 | N | B | -1.3461 | |
| 176 | Q | B | -1.3274 | |
| 177 | R | B | -2.0779 | |
| 178 | H | B | -1.2896 | |
| 179 | E | B | -2.2359 | |
| 180 | R | B | -2.2038 | |
| 181 | S | B | -0.5384 | |
| 182 | A | B | 0.0198 |
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