| Chain sequence(s) |
A: GEELFTGVVPILVELDGDVNGHKKFSSVSSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFTTTVQCFSRRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGNYKTRAEVKFEGDTLVNRIELKKGIDFKEDGNILGHKLEYNYNSHHNVYITTADKQKNGIKANFKIRHNIEDGSVQLADDHYYQQNTPIGDDGPVLLPDNHYLSTQSKLLKDPNEKRDHMVLLEFVTAAGITHGMDELY
B: VQLVESSGGRLVQAGDSLRLSCAASGRTFSTSAMAWFRQAPGREREFVAAITWTVGNTIILGDSVKGRFTISRDRAKNTVDLQMDNLEPEDTAVYYCSARSRGYVLLSVLRSVDSYDYWGQGTQVTVS 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 (00:04:10)
[INFO] Main: Simulation completed successfully. (00:04:12)
|
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 | G | A | -1.4649 | |
| 5 | E | A | -2.4357 | |
| 6 | E | A | -2.4505 | |
| 7 | L | A | -1.1390 | |
| 8 | F | A | 0.0000 | |
| 9 | T | A | -0.4988 | |
| 10 | G | A | 0.3965 | |
| 11 | V | A | 1.1114 | |
| 12 | V | A | 0.0000 | |
| 13 | P | A | -0.9352 | |
| 14 | I | A | 0.0000 | |
| 15 | L | A | -0.6806 | |
| 16 | V | A | 0.0000 | |
| 17 | E | A | -1.0413 | |
| 18 | L | A | 0.0000 | |
| 19 | D | A | -2.6661 | |
| 20 | G | A | 0.0000 | |
| 21 | D | A | -2.1039 | |
| 22 | V | A | 0.0000 | |
| 23 | N | A | -1.7898 | |
| 24 | G | A | -1.3105 | |
| 25 | H | A | -1.7562 | |
| 26 | K | A | -2.6825 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | -1.5543 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -0.8223 | |
| 31 | G | A | 0.0000 | |
| 32 | E | A | -2.1560 | |
| 33 | G | A | -1.5874 | |
| 34 | E | A | -1.4068 | |
| 35 | G | A | 0.0000 | |
| 36 | D | A | 0.1704 | |
| 37 | A | A | 0.0000 | |
| 38 | T | A | 0.2989 | |
| 39 | Y | A | 1.0240 | |
| 40 | G | A | 0.0000 | |
| 41 | K | A | -0.2794 | |
| 42 | L | A | 0.0000 | |
| 43 | T | A | -0.8892 | |
| 44 | L | A | 0.0000 | |
| 45 | K | A | -1.0370 | |
| 46 | F | A | 0.0000 | |
| 47 | I | A | -1.0625 | |
| 48 | C | A | 0.0000 | |
| 49 | T | A | -0.7840 | |
| 50 | T | A | -1.1293 | |
| 51 | G | A | -1.6392 | |
| 52 | K | A | -2.2611 | |
| 53 | L | A | 0.0000 | |
| 54 | P | A | -1.0767 | |
| 55 | V | A | 0.0000 | |
| 56 | P | A | 0.0000 | |
| 57 | W | A | 0.0000 | |
| 58 | P | A | 0.0000 | |
| 59 | T | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | T | A | -0.0034 | |
| 63 | T | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 68 | V | A | 0.1272 | |
| 69 | Q | A | -0.1769 | |
| 70 | C | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | S | A | 0.0000 | |
| 73 | R | A | -1.1685 | |
| 74 | Y | A | 0.0000 | |
| 75 | P | A | -2.0389 | |
| 76 | D | A | -3.1115 | |
| 77 | H | A | -2.5143 | |
| 78 | M | A | 0.0000 | |
| 79 | K | A | -3.5891 | |
| 80 | R | A | -3.1856 | |
| 81 | H | A | -2.0676 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | F | A | 0.0000 | |
| 85 | K | A | 0.0000 | |
| 86 | S | A | -0.8964 | |
| 87 | A | A | 0.0000 | |
| 88 | M | A | 0.0000 | |
| 89 | P | A | -0.6234 | |
| 90 | E | A | -1.0372 | |
| 91 | G | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | V | A | -0.2302 | |
| 94 | Q | A | 0.0000 | |
| 95 | E | A | -1.6246 | |
| 96 | R | A | 0.0000 | |
| 97 | T | A | -0.8009 | |
| 98 | I | A | 0.0000 | |
| 99 | S | A | -1.1711 | |
| 100 | F | A | 0.0000 | |
| 101 | K | A | -2.6411 | |
| 102 | D | A | -3.2127 | |
| 103 | D | A | -2.7450 | |
| 104 | G | A | 0.0000 | |
| 105 | N | A | -1.4194 | |
| 106 | Y | A | 0.0000 | |
| 107 | K | A | -2.1684 | |
| 108 | T | A | 0.0000 | |
| 109 | R | A | -1.7508 | |
| 110 | A | A | 0.0000 | |
| 111 | E | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | K | A | 0.0000 | |
| 114 | F | A | 0.0000 | |
| 115 | E | A | 0.0000 | |
| 116 | G | A | -0.4126 | |
| 117 | D | A | -1.3813 | |
| 118 | T | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | N | A | 0.0000 | |
| 122 | R | A | 0.0000 | |
| 123 | I | A | 0.0000 | |
| 124 | E | A | -2.2245 | |
| 125 | L | A | 0.0000 | |
| 126 | K | A | -2.1645 | |
| 127 | G | A | 0.0000 | |
| 128 | I | A | -0.9512 | |
| 129 | D | A | -2.3757 | |
| 130 | F | A | 0.0000 | |
| 131 | K | A | -3.9159 | |
| 132 | E | A | -3.9321 | |
| 133 | D | A | -3.5296 | |
| 134 | G | A | -2.8089 | |
| 135 | N | A | -2.2177 | |
| 136 | I | A | 0.0000 | |
| 137 | L | A | -1.9581 | |
| 138 | G | A | -2.1860 | |
| 139 | H | A | -1.8088 | |
| 140 | K | A | -2.4259 | |
| 141 | L | A | 0.0000 | |
| 142 | E | A | -1.7112 | |
| 143 | Y | A | -0.6849 | |
| 144 | N | A | -1.0320 | |
| 145 | Y | A | -1.4655 | |
| 146 | N | A | -1.8351 | |
| 147 | S | A | -1.4934 | |
| 148 | H | A | -1.3093 | |
| 149 | N | A | -1.0371 | |
| 150 | V | A | 0.0000 | |
| 151 | Y | A | -0.3964 | |
| 152 | I | A | 0.0000 | |
| 153 | T | A | -1.3953 | |
| 154 | A | A | -1.8248 | |
| 155 | D | A | 0.0000 | |
| 156 | K | A | -3.2083 | |
| 157 | Q | A | -3.2450 | |
| 158 | K | A | -3.5985 | |
| 159 | N | A | -3.1877 | |
| 160 | G | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | K | A | -1.2031 | |
| 163 | A | A | 0.0000 | |
| 164 | N | A | -0.9570 | |
| 165 | F | A | 0.0000 | |
| 166 | K | A | -1.6535 | |
| 167 | I | A | 0.0000 | |
| 168 | R | A | -2.1740 | |
| 169 | H | A | 0.0000 | |
| 170 | N | A | -1.9371 | |
| 171 | I | A | -2.0834 | |
| 172 | E | A | -3.3059 | |
| 173 | D | A | -3.0964 | |
| 174 | G | A | -2.1151 | |
| 175 | S | A | -1.1403 | |
| 176 | V | A | -0.9967 | |
| 177 | Q | A | 0.0000 | |
| 178 | L | A | -1.4819 | |
| 179 | A | A | 0.0000 | |
| 180 | D | A | -1.1474 | |
| 181 | H | A | 0.0000 | |
| 182 | Y | A | 0.0173 | |
| 183 | Q | A | 0.0000 | |
| 184 | Q | A | -1.2749 | |
| 185 | N | A | 0.0000 | |
| 186 | T | A | -0.9651 | |
| 187 | P | A | -1.0128 | |
| 188 | I | A | -0.5487 | |
| 189 | G | A | -1.3365 | |
| 190 | D | A | -2.3216 | |
| 191 | G | A | -1.5866 | |
| 192 | P | A | -0.9014 | |
| 193 | V | A | -0.2393 | |
| 194 | L | A | -0.3185 | |
| 195 | L | A | -0.7370 | |
| 196 | P | A | 0.0000 | |
| 197 | D | A | -2.5061 | |
| 198 | N | A | -2.1134 | |
| 199 | H | A | 0.0000 | |
| 200 | Y | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | S | A | -0.4095 | |
| 203 | T | A | -0.7942 | |
| 204 | Q | A | -1.5654 | |
| 205 | S | A | -1.2581 | |
| 206 | K | A | -1.4484 | |
| 207 | L | A | -0.5608 | |
| 208 | L | A | -0.5345 | |
| 209 | K | A | -1.6843 | |
| 210 | D | A | -2.1219 | |
| 211 | P | A | -1.8089 | |
| 212 | N | A | -2.5312 | |
| 213 | E | A | -2.7693 | |
| 214 | K | A | -3.1769 | |
| 215 | R | A | -3.3774 | |
| 216 | D | A | -2.2676 | |
| 217 | H | A | 0.0000 | |
| 218 | M | A | 0.0000 | |
| 219 | V | A | -0.4705 | |
| 220 | L | A | 0.0000 | |
| 221 | L | A | -0.3210 | |
| 222 | E | A | -0.6335 | |
| 223 | F | A | -0.0646 | |
| 224 | V | A | 0.0000 | |
| 225 | T | A | -0.2649 | |
| 226 | A | A | 0.0000 | |
| 227 | A | A | 0.0000 | |
| 228 | G | A | -0.4341 | |
| 229 | I | A | -0.4450 | |
| 230 | T | A | -0.8207 | |
| 231 | H | A | -1.1093 | |
| 232 | G | A | -0.7047 | |
| 233 | M | A | 0.4027 | |
| 234 | D | A | -0.0051 | |
| 235 | E | A | 0.1144 | |
| 236 | L | A | 1.7968 | |
| 237 | Y | A | 1.8183 | |
| 3 | V | B | -0.2800 | |
| 4 | Q | B | -0.8747 | |
| 5 | L | B | 0.0000 | |
| 6 | V | B | 0.6080 | |
| 7 | E | B | 0.0000 | |
| 8 | S | B | -0.8962 | |
| 9 | G | B | -1.6123 | |
| 10 | G | B | -1.6599 | |
| 11 | R | B | -1.7442 | |
| 12 | L | B | 0.0104 | |
| 13 | V | B | 0.0000 | |
| 14 | Q | B | -1.8586 | |
| 15 | A | B | -2.2150 | |
| 16 | G | B | -2.4444 | |
| 17 | D | B | -2.4216 | |
| 18 | S | B | -2.0691 | |
| 19 | L | B | 0.0000 | |
| 20 | R | B | -2.3249 | |
| 21 | L | B | 0.0000 | |
| 22 | S | B | -0.6362 | |
| 23 | C | B | 0.0000 | |
| 24 | A | B | -0.3621 | |
| 25 | A | B | -0.5685 | |
| 26 | S | B | -1.0110 | |
| 27 | G | B | -1.3766 | |
| 28 | R | B | -1.8987 | |
| 29 | T | B | -0.9583 | |
| 30 | F | B | -0.3824 | |
| 31 | S | B | -0.1987 | |
| 32 | T | B | 0.0000 | |
| 33 | S | B | 0.0000 | |
| 34 | A | B | 0.0000 | |
| 35 | M | B | 0.0000 | |
| 36 | A | B | 0.0000 | |
| 37 | W | B | 0.0000 | |
| 38 | F | B | 0.0000 | |
| 39 | R | B | 0.0000 | |
| 40 | Q | B | -1.9320 | |
| 41 | A | B | -1.9445 | |
| 42 | P | B | -1.5227 | |
| 43 | G | B | -2.0184 | |
| 44 | R | B | -3.3935 | |
| 45 | E | B | -3.5255 | |
| 46 | R | B | -2.4765 | |
| 47 | E | B | -1.8387 | |
| 48 | F | B | -0.6610 | |
| 49 | V | B | 0.0000 | |
| 50 | A | B | 0.0000 | |
| 51 | A | B | 0.0000 | |
| 52 | I | B | 0.0000 | |
| 53 | T | B | 0.0000 | |
| 54 | W | B | 0.0000 | |
| 55 | T | B | 0.2671 | |
| 56 | V | B | 0.8976 | |
| 57 | G | B | -0.2800 | |
| 58 | N | B | -0.7414 | |
| 59 | T | B | -0.2756 | |
| 60 | I | B | -0.4737 | |
| 61 | L | B | -0.8468 | |
| 62 | G | B | 0.0000 | |
| 63 | D | B | -2.3582 | |
| 64 | S | B | -1.7501 | |
| 65 | V | B | 0.0000 | |
| 66 | K | B | -2.5000 | |
| 67 | G | B | -1.8878 | |
| 68 | R | B | -1.7033 | |
| 69 | F | B | 0.0000 | |
| 70 | T | B | -0.8674 | |
| 71 | I | B | 0.0000 | |
| 72 | S | B | -0.8160 | |
| 73 | R | B | -1.3353 | |
| 74 | D | B | -1.8967 | |
| 75 | R | B | -1.6719 | |
| 76 | A | B | -1.4239 | |
| 77 | K | B | -2.2887 | |
| 78 | N | B | -1.5922 | |
| 79 | T | B | -1.1214 | |
| 80 | V | B | 0.0000 | |
| 81 | D | B | -1.0260 | |
| 82 | L | B | 0.0000 | |
| 83 | Q | B | -1.3013 | |
| 84 | M | B | 0.0000 | |
| 85 | D | B | -2.4977 | |
| 86 | N | B | -2.8343 | |
| 87 | L | B | 0.0000 | |
| 88 | E | B | -3.1309 | |
| 89 | P | B | -2.1683 | |
| 90 | E | B | -2.4798 | |
| 91 | D | B | 0.0000 | |
| 92 | T | B | -1.0676 | |
| 93 | A | B | 0.0000 | |
| 94 | V | B | -0.6627 | |
| 95 | Y | B | 0.0000 | |
| 96 | Y | B | -0.2117 | |
| 97 | C | B | 0.0000 | |
| 98 | S | B | 0.0000 | |
| 99 | A | B | 0.0000 | |
| 100 | R | B | 0.0000 | |
| 101 | S | B | 0.0000 | |
| 102 | R | B | -1.0523 | |
| 103 | G | B | 0.0000 | |
| 104 | Y | B | 0.0000 | |
| 105 | V | B | 0.5956 | |
| 106 | L | B | 0.3067 | |
| 107 | S | B | 0.2650 | |
| 108 | V | B | 0.3306 | |
| 109 | L | B | 0.0000 | |
| 110 | R | B | -1.0447 | |
| 111 | S | B | -0.8690 | |
| 112 | V | B | -0.5373 | |
| 113 | D | B | -1.6420 | |
| 114 | S | B | -0.9103 | |
| 115 | Y | B | 0.0000 | |
| 116 | D | B | -0.6379 | |
| 117 | Y | B | 0.2421 | |
| 118 | W | B | 0.3698 | |
| 119 | G | B | -0.0924 | |
| 120 | Q | B | -1.0645 | |
| 121 | G | B | 0.0000 | |
| 122 | T | B | 0.0000 | |
| 123 | Q | B | -1.6000 | |
| 124 | V | B | 0.0000 | |
| 125 | T | B | -0.8984 | |
| 126 | V | B | 0.0000 | |
| 127 | S | B | -1.1033 |
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