| Chain sequence(s) |
A: AIIKEFMRFKVHMEGSVNGHEFEIEGEGEGRPYEGTQTAKLKVTKGGPLPFAWDILSPQFAAASKAYVKHPADIPDYLKLSFPEGFKWERVMNFEDGGVVTVTQDSSLQDGEFIYKVKLRGTNFPSDGPVMQKKTMGWEASSERMYPEDGALKGEIKQRLKLKDGGHYDAEVKTTYKAKKPVQLPGAYNVNIKLDITSHNEDYTIVEQYERAEGRHSTG
B: AQVQLVESGGSLVQPGGSLRLSCAASGRFAESSSMGWFRQAPGKEREFVAAISWSGGATNYADSAKGRFTLSRDNTKNTVYLQMNSLKPDDTAVYYCAANLGNYISSNQRLYGYWGQGTQVTVS 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 (00:07:51)
[INFO] Main: Simulation completed successfully. (00:07:54)
|
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 | |
| 6 | A | A | -0.6009 | |
| 7 | I | A | -0.8072 | |
| 8 | I | A | 0.0000 | |
| 9 | K | A | -2.2104 | |
| 10 | E | A | -1.7398 | |
| 11 | F | A | -1.2079 | |
| 12 | M | A | 0.0000 | |
| 13 | R | A | -3.1443 | |
| 14 | F | A | 0.0000 | |
| 15 | K | A | -2.4294 | |
| 16 | V | A | 0.0000 | |
| 17 | H | A | -2.1067 | |
| 18 | M | A | 0.0000 | |
| 19 | E | A | -3.1166 | |
| 20 | G | A | -2.5057 | |
| 21 | S | A | -2.4955 | |
| 22 | V | A | 0.0000 | |
| 23 | N | A | -1.9086 | |
| 24 | G | A | -1.8756 | |
| 25 | H | A | -1.9413 | |
| 26 | E | A | -3.1251 | |
| 27 | F | A | 0.0000 | |
| 28 | E | A | -2.5000 | |
| 29 | I | A | 0.0000 | |
| 30 | E | A | -2.6462 | |
| 31 | G | A | 0.0000 | |
| 32 | E | A | -3.2617 | |
| 33 | G | A | 0.0000 | |
| 34 | E | A | -2.3532 | |
| 35 | G | A | 0.0000 | |
| 36 | R | A | -2.5219 | |
| 37 | P | A | 0.0000 | |
| 38 | Y | A | -1.6656 | |
| 39 | E | A | -2.7605 | |
| 40 | G | A | 0.0000 | |
| 41 | T | A | -1.8604 | |
| 42 | Q | A | 0.0000 | |
| 43 | T | A | -1.4053 | |
| 44 | A | A | 0.0000 | |
| 45 | K | A | -2.0364 | |
| 46 | L | A | 0.0000 | |
| 47 | K | A | -1.8189 | |
| 48 | V | A | -1.1837 | |
| 49 | T | A | -1.6764 | |
| 50 | K | A | -2.7690 | |
| 51 | G | A | -1.9267 | |
| 52 | G | A | -1.6683 | |
| 53 | P | A | -1.1007 | |
| 54 | L | A | 0.0000 | |
| 55 | P | A | -0.9751 | |
| 56 | F | A | 0.0000 | |
| 57 | A | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | D | A | 0.0000 | |
| 60 | I | A | 0.0000 | |
| 61 | L | A | 0.0000 | |
| 62 | S | A | 0.0000 | |
| 63 | P | A | -0.0905 | |
| 64 | Q | A | 0.0000 | |
| 65 | F | A | 0.0000 | |
| 69 | S | A | 0.0000 | |
| 70 | K | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | Y | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | K | A | -2.1884 | |
| 75 | H | A | -1.3408 | |
| 76 | P | A | -0.9809 | |
| 77 | A | A | -0.7174 | |
| 78 | D | A | -1.1047 | |
| 79 | I | A | 0.0000 | |
| 80 | P | A | 0.0000 | |
| 81 | D | A | 0.0000 | |
| 82 | Y | A | 0.0000 | |
| 83 | L | A | 0.0000 | |
| 84 | K | A | 0.0000 | |
| 85 | L | A | 0.0000 | |
| 86 | S | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | P | A | -1.4094 | |
| 89 | E | A | -2.0698 | |
| 90 | G | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | K | A | -2.3106 | |
| 93 | W | A | 0.0000 | |
| 94 | E | A | -2.0478 | |
| 95 | R | A | 0.0000 | |
| 96 | V | A | -0.4274 | |
| 97 | M | A | 0.0000 | |
| 98 | N | A | -2.1843 | |
| 99 | F | A | 0.0000 | |
| 100 | E | A | -2.7647 | |
| 101 | D | A | -1.9624 | |
| 102 | G | A | -1.5060 | |
| 103 | G | A | 0.0000 | |
| 104 | V | A | -1.0200 | |
| 105 | V | A | 0.0000 | |
| 106 | T | A | -0.9428 | |
| 107 | V | A | 0.0000 | |
| 108 | T | A | -1.7920 | |
| 109 | Q | A | 0.0000 | |
| 110 | D | A | -1.8803 | |
| 111 | S | A | 0.0000 | |
| 112 | S | A | -1.2818 | |
| 113 | L | A | 0.0000 | |
| 114 | Q | A | -2.5758 | |
| 115 | D | A | -2.7879 | |
| 116 | G | A | -2.5859 | |
| 117 | E | A | -2.7870 | |
| 118 | F | A | 0.0000 | |
| 119 | I | A | -1.3758 | |
| 120 | Y | A | 0.0000 | |
| 121 | K | A | -2.3986 | |
| 122 | V | A | 0.0000 | |
| 123 | K | A | -3.0983 | |
| 124 | L | A | 0.0000 | |
| 125 | R | A | -2.6861 | |
| 126 | G | A | 0.0000 | |
| 127 | T | A | -1.4315 | |
| 128 | N | A | -1.6123 | |
| 129 | F | A | 0.0000 | |
| 130 | P | A | -1.5198 | |
| 131 | S | A | -1.6016 | |
| 132 | D | A | -2.3933 | |
| 133 | G | A | -1.7956 | |
| 134 | P | A | 0.0000 | |
| 135 | V | A | 0.0000 | |
| 136 | M | A | -1.6993 | |
| 137 | Q | A | -2.6850 | |
| 138 | K | A | -2.8530 | |
| 139 | K | A | -2.6099 | |
| 140 | T | A | -1.7223 | |
| 141 | M | A | -0.9193 | |
| 142 | G | A | -0.6506 | |
| 143 | W | A | 0.0000 | |
| 144 | E | A | -1.6432 | |
| 145 | A | A | -1.3011 | |
| 146 | S | A | -1.3174 | |
| 147 | S | A | -1.5132 | |
| 148 | E | A | 0.0000 | |
| 149 | R | A | -2.1330 | |
| 150 | M | A | 0.0000 | |
| 151 | Y | A | -0.8903 | |
| 152 | P | A | -1.5551 | |
| 153 | E | A | -2.9556 | |
| 154 | D | A | -3.0886 | |
| 155 | G | A | -2.1616 | |
| 156 | A | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | K | A | -2.0755 | |
| 159 | G | A | 0.0000 | |
| 160 | E | A | -2.2031 | |
| 161 | I | A | 0.0000 | |
| 162 | K | A | -3.2022 | |
| 163 | Q | A | 0.0000 | |
| 164 | R | A | -2.3618 | |
| 165 | L | A | 0.0000 | |
| 166 | K | A | -1.9845 | |
| 167 | L | A | -2.3026 | |
| 168 | K | A | -3.0793 | |
| 169 | D | A | -3.0266 | |
| 170 | G | A | -2.1269 | |
| 171 | G | A | -1.8549 | |
| 172 | H | A | -2.1244 | |
| 173 | Y | A | 0.0000 | |
| 174 | D | A | -2.5547 | |
| 175 | A | A | 0.0000 | |
| 176 | E | A | -3.4102 | |
| 177 | V | A | 0.0000 | |
| 178 | K | A | -2.6883 | |
| 179 | T | A | 0.0000 | |
| 180 | T | A | -1.5992 | |
| 181 | Y | A | 0.0000 | |
| 182 | K | A | -2.3745 | |
| 183 | A | A | -1.8939 | |
| 184 | K | A | -2.2550 | |
| 185 | K | A | -2.4050 | |
| 186 | P | A | -1.3141 | |
| 187 | V | A | -0.9070 | |
| 188 | Q | A | -0.7069 | |
| 189 | L | A | -0.1740 | |
| 190 | P | A | 0.0000 | |
| 191 | G | A | -0.6957 | |
| 192 | A | A | -0.7587 | |
| 193 | Y | A | 0.0000 | |
| 194 | N | A | -1.7225 | |
| 195 | V | A | 0.0000 | |
| 196 | N | A | -1.9772 | |
| 197 | I | A | -1.4355 | |
| 198 | K | A | -1.8311 | |
| 199 | L | A | -1.2333 | |
| 200 | D | A | -1.5236 | |
| 201 | I | A | -0.4436 | |
| 202 | T | A | -0.6406 | |
| 203 | S | A | -0.9264 | |
| 204 | H | A | -1.4145 | |
| 205 | N | A | -1.6943 | |
| 206 | E | A | -2.5115 | |
| 207 | D | A | -1.9779 | |
| 208 | Y | A | -1.0447 | |
| 209 | T | A | -0.9395 | |
| 210 | I | A | -0.7118 | |
| 211 | V | A | 0.0000 | |
| 212 | E | A | -1.3007 | |
| 213 | Q | A | 0.0000 | |
| 214 | Y | A | -0.8953 | |
| 215 | E | A | -1.3122 | |
| 216 | R | A | -2.9085 | |
| 217 | A | A | 0.0000 | |
| 218 | E | A | -2.2974 | |
| 219 | G | A | 0.0000 | |
| 220 | R | A | -1.9532 | |
| 221 | H | A | -1.8730 | |
| 222 | S | A | -1.3582 | |
| 223 | T | A | -0.8932 | |
| 224 | G | A | -0.7600 | |
| 1 | A | B | -0.9425 | |
| 2 | Q | B | -1.6826 | |
| 3 | V | B | 0.0000 | |
| 4 | Q | B | -1.2563 | |
| 5 | L | B | 0.0000 | |
| 6 | V | B | 1.0158 | |
| 7 | E | B | 0.0000 | |
| 8 | S | B | -0.4594 | |
| 9 | G | B | -0.8669 | |
| 10 | G | B | -0.6821 | |
| 11 | S | B | 0.0438 | |
| 12 | L | B | 1.0155 | |
| 13 | V | B | -0.0553 | |
| 14 | Q | B | -1.3397 | |
| 15 | P | B | -1.6723 | |
| 16 | G | B | -1.4414 | |
| 17 | G | B | -0.9261 | |
| 18 | S | B | -1.0786 | |
| 19 | L | B | -0.9961 | |
| 20 | R | B | -2.0990 | |
| 21 | L | B | 0.0000 | |
| 22 | S | B | -0.3252 | |
| 23 | C | B | 0.0000 | |
| 24 | A | B | -0.1419 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -1.5450 | |
| 27 | G | B | -2.2108 | |
| 28 | R | B | -2.7769 | |
| 29 | F | B | 0.0000 | |
| 30 | A | B | 0.0000 | |
| 31 | E | B | -2.7478 | |
| 32 | S | B | 0.0000 | |
| 33 | S | B | 0.0000 | |
| 34 | S | B | 0.0000 | |
| 35 | M | B | 0.0000 | |
| 36 | G | B | 0.0000 | |
| 37 | W | B | 0.0000 | |
| 38 | F | B | 0.0000 | |
| 39 | R | B | -1.2995 | |
| 40 | Q | B | -1.9804 | |
| 41 | A | B | -1.9079 | |
| 42 | P | B | -1.3408 | |
| 43 | G | B | -1.9134 | |
| 44 | K | B | -3.2930 | |
| 45 | E | B | -3.4695 | |
| 46 | R | B | -2.5828 | |
| 47 | E | B | -2.3574 | |
| 48 | F | B | -1.1328 | |
| 49 | V | B | 0.0000 | |
| 50 | A | B | 0.0000 | |
| 51 | A | B | 0.0000 | |
| 52 | I | B | 0.0000 | |
| 53 | S | B | 0.0000 | |
| 54 | W | B | -0.7252 | |
| 55 | S | B | -0.8634 | |
| 56 | G | B | -0.8251 | |
| 57 | G | B | -0.6038 | |
| 58 | A | B | -0.3077 | |
| 59 | T | B | -0.2523 | |
| 60 | N | B | -0.5532 | |
| 61 | Y | B | -0.9192 | |
| 62 | A | B | -1.4122 | |
| 63 | D | B | -2.4492 | |
| 64 | S | B | -1.5295 | |
| 65 | A | B | 0.0000 | |
| 66 | K | B | -2.6220 | |
| 67 | G | B | -1.7688 | |
| 68 | R | B | -1.5340 | |
| 69 | F | B | 0.0000 | |
| 70 | T | B | -0.9024 | |
| 71 | L | B | 0.0000 | |
| 72 | S | B | -0.5415 | |
| 73 | R | B | -1.1014 | |
| 74 | D | B | -1.5784 | |
| 75 | N | B | -2.3442 | |
| 76 | T | B | -1.8375 | |
| 77 | K | B | -2.5443 | |
| 78 | N | B | -2.0936 | |
| 79 | T | B | -1.1002 | |
| 80 | V | B | 0.0000 | |
| 81 | Y | B | -0.5285 | |
| 82 | L | B | 0.0000 | |
| 83 | Q | B | -1.3011 | |
| 84 | M | B | 0.0000 | |
| 85 | N | B | -1.3930 | |
| 86 | S | B | -1.1885 | |
| 87 | L | B | 0.0000 | |
| 88 | K | B | -2.4946 | |
| 89 | P | B | -2.0503 | |
| 90 | D | B | -2.3593 | |
| 91 | D | B | 0.0000 | |
| 92 | T | B | -0.9601 | |
| 93 | A | B | 0.0000 | |
| 94 | V | B | -0.3816 | |
| 95 | Y | B | 0.0000 | |
| 96 | Y | B | -0.1764 | |
| 97 | C | B | 0.0000 | |
| 98 | A | B | 0.0000 | |
| 99 | A | B | 0.0000 | |
| 100 | N | B | 0.0000 | |
| 101 | L | B | 0.0000 | |
| 102 | G | B | -0.1295 | |
| 103 | N | B | 0.0000 | |
| 104 | Y | B | 0.0000 | |
| 105 | I | B | 0.0000 | |
| 106 | S | B | -0.5834 | |
| 107 | S | B | -0.9469 | |
| 108 | N | B | -1.1544 | |
| 109 | Q | B | -1.5222 | |
| 110 | R | B | -1.9939 | |
| 111 | L | B | -0.9072 | |
| 112 | Y | B | 0.0000 | |
| 113 | G | B | -0.7137 | |
| 114 | Y | B | -0.4362 | |
| 115 | W | B | 0.0188 | |
| 116 | G | B | -0.1742 | |
| 117 | Q | B | -0.7260 | |
| 118 | G | B | 0.0000 | |
| 119 | T | B | -0.6393 | |
| 120 | Q | B | -0.9430 | |
| 121 | V | B | 0.0000 | |
| 122 | T | B | -0.3280 | |
| 123 | V | B | 0.0000 | |
| 124 | S | B | -0.8916 |
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