| Chain sequence(s) |
A: QVQLQESGGGLVQAGGSLRLSCAASGRTFSSFVMGWFRQAPGKEREFVASISRSGSVTRYADSAKGRFTISKDNAKNTVSLQMDNLNPDDTAVYYCAADLHRPYGPGSQRTDDYDTWGQGTQVTVSS
C: VQRLFQVKGRRVVRATEVPVSWESFNNGDCFILDLGNNIHQWCGSNSNRYERLKATQVSKGIRDNERDGDARVHVSEEGTEPEAMLQVLGPKPALPAGTED B: QVQLQESGGGLVQAGGSLRLSCAASGRTFSSFVMGWFRQAPGKEREFVASISRSGSVTRYADSAKGRFTISKDNAKNTVSLQMDNLNPDDTAVYYCAADLHRPYGPGSQRTDDYDTWGQGTQVTVS D: QRLFQVKGRRVVRATEVPVSWESFNNGDCFILDLGNNIHQWCGSNSNRYERLKATQVSKGIRDNERDGDARVHVSEEGTEPEAMLQVLGPKPALPAGTEDTA input PDB |
| Selected Chain(s) | A,C,B,D |
| 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 (00:06:29)
[INFO] Main: Simulation completed successfully. (00:06:33)
|
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 | Q | A | -2.0764 | |
| 2 | V | A | 0.0000 | |
| 3 | Q | A | -1.8902 | |
| 4 | L | A | 0.0000 | |
| 5 | Q | A | -1.7154 | |
| 6 | E | A | 0.0000 | |
| 7 | S | A | -1.2080 | |
| 8 | G | A | -1.1636 | |
| 9 | G | A | -0.8409 | |
| 10 | G | A | -0.0690 | |
| 11 | L | A | 1.0214 | |
| 12 | V | A | 0.0056 | |
| 13 | Q | A | -1.4175 | |
| 14 | A | A | -1.8129 | |
| 15 | G | A | -1.8479 | |
| 16 | G | A | -1.3156 | |
| 17 | S | A | -1.5311 | |
| 18 | L | A | -1.1421 | |
| 19 | R | A | -2.2564 | |
| 20 | L | A | 0.0000 | |
| 21 | S | A | -0.9859 | |
| 22 | C | A | 0.0000 | |
| 23 | A | A | -1.0424 | |
| 24 | A | A | -1.3628 | |
| 25 | S | A | -1.5747 | |
| 26 | G | A | -2.0660 | |
| 27 | R | A | -2.4677 | |
| 28 | T | A | -1.1533 | |
| 29 | F | A | -0.1358 | |
| 30 | S | A | -0.2919 | |
| 31 | S | A | -0.4620 | |
| 32 | F | A | 0.0000 | |
| 33 | V | A | 0.0000 | |
| 34 | M | A | 0.0000 | |
| 35 | G | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -1.9579 | |
| 40 | A | A | -1.9727 | |
| 41 | P | A | -1.3165 | |
| 42 | G | A | -1.8782 | |
| 43 | K | A | -3.2831 | |
| 44 | E | A | -3.5831 | |
| 45 | R | A | -2.9233 | |
| 46 | E | A | -2.6018 | |
| 47 | F | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | S | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | S | A | 0.0000 | |
| 53 | R | A | -0.3015 | |
| 54 | S | A | -0.4507 | |
| 55 | G | A | -0.5596 | |
| 56 | S | A | -0.0456 | |
| 57 | V | A | 0.3856 | |
| 58 | T | A | -0.6103 | |
| 59 | R | A | -2.1835 | |
| 60 | Y | A | -1.9246 | |
| 61 | A | A | 0.0000 | |
| 62 | D | A | -2.5229 | |
| 63 | S | A | -1.6958 | |
| 64 | A | A | 0.0000 | |
| 65 | K | A | -2.7802 | |
| 66 | G | A | -2.0043 | |
| 67 | R | A | -1.8717 | |
| 68 | F | A | 0.0000 | |
| 69 | T | A | -1.1506 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.5554 | |
| 72 | K | A | -1.2643 | |
| 73 | D | A | -1.8350 | |
| 74 | N | A | -1.8713 | |
| 75 | A | A | -1.4391 | |
| 76 | K | A | -2.2480 | |
| 77 | N | A | -1.6075 | |
| 78 | T | A | -1.3071 | |
| 79 | V | A | 0.0000 | |
| 80 | S | A | -0.8124 | |
| 81 | L | A | 0.0000 | |
| 82 | Q | A | -1.3402 | |
| 83 | M | A | 0.0000 | |
| 84 | D | A | -2.4535 | |
| 85 | N | A | -2.5499 | |
| 86 | L | A | 0.0000 | |
| 87 | N | A | -2.6971 | |
| 88 | P | A | -1.9115 | |
| 89 | D | A | -2.3004 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.8126 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | -0.3309 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | -0.5781 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | D | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | H | A | -0.3395 | |
| 102 | R | A | -0.1469 | |
| 103 | P | A | 0.3478 | |
| 104 | Y | A | 1.2157 | |
| 105 | G | A | 0.2897 | |
| 106 | P | A | -0.3204 | |
| 107 | G | A | 0.0000 | |
| 108 | S | A | -1.8378 | |
| 109 | Q | A | -2.7609 | |
| 110 | R | A | -3.3364 | |
| 111 | T | A | -2.6183 | |
| 112 | D | A | -2.8939 | |
| 113 | D | A | -2.2812 | |
| 114 | Y | A | 0.0000 | |
| 115 | D | A | -1.5954 | |
| 116 | T | A | -0.8445 | |
| 117 | W | A | -0.6522 | |
| 118 | G | A | -1.0992 | |
| 119 | Q | A | -1.3461 | |
| 120 | G | A | -0.9989 | |
| 121 | T | A | -1.0561 | |
| 122 | Q | A | -0.9333 | |
| 123 | V | A | 0.0000 | |
| 124 | T | A | -0.3202 | |
| 125 | V | A | 0.0000 | |
| 126 | S | A | -0.9043 | |
| 127 | S | A | -1.1088 | |
| 159 | V | C | 0.7542 | |
| 160 | Q | C | -0.3694 | |
| 161 | R | C | -0.8536 | |
| 162 | L | C | 0.0000 | |
| 163 | F | C | -0.9491 | |
| 164 | Q | C | -0.9084 | |
| 165 | V | C | 0.0000 | |
| 166 | K | C | -1.6234 | |
| 167 | G | C | 0.0000 | |
| 168 | R | C | -3.3064 | |
| 169 | R | C | -2.4177 | |
| 170 | V | C | -0.3452 | |
| 171 | V | C | -1.1477 | |
| 172 | R | C | -2.0660 | |
| 173 | A | C | -1.3077 | |
| 174 | T | C | -1.3291 | |
| 175 | E | C | -1.9432 | |
| 176 | V | C | -0.9306 | |
| 177 | P | C | -0.8466 | |
| 178 | V | C | -0.4327 | |
| 179 | S | C | -0.4708 | |
| 180 | W | C | 0.0000 | |
| 181 | E | C | -1.9134 | |
| 182 | S | C | -1.1123 | |
| 183 | F | C | 0.0000 | |
| 184 | N | C | -0.9662 | |
| 185 | N | C | -1.0372 | |
| 186 | G | C | -1.4660 | |
| 187 | D | C | 0.0000 | |
| 188 | C | C | 0.0000 | |
| 189 | F | C | 0.0000 | |
| 190 | I | C | 0.0000 | |
| 191 | L | C | 0.0000 | |
| 192 | D | C | 0.0000 | |
| 193 | L | C | -0.1757 | |
| 194 | G | C | -1.0799 | |
| 195 | N | C | -1.8136 | |
| 196 | N | C | -1.1764 | |
| 197 | I | C | 0.0000 | |
| 198 | H | C | 0.0000 | |
| 199 | Q | C | 0.0000 | |
| 200 | W | C | 0.0000 | |
| 201 | C | C | 0.0000 | |
| 202 | G | C | 0.0000 | |
| 203 | S | C | -1.2708 | |
| 204 | N | C | -1.8061 | |
| 205 | S | C | -1.5444 | |
| 206 | N | C | -1.9226 | |
| 207 | R | C | -2.3892 | |
| 208 | Y | C | -1.3361 | |
| 209 | E | C | 0.0000 | |
| 210 | R | C | -0.6882 | |
| 211 | L | C | 0.1719 | |
| 212 | K | C | -1.1362 | |
| 213 | A | C | 0.0000 | |
| 214 | T | C | -0.3320 | |
| 215 | Q | C | -1.0814 | |
| 216 | V | C | -0.7934 | |
| 217 | S | C | 0.0000 | |
| 218 | K | C | -2.3900 | |
| 219 | G | C | -2.6291 | |
| 220 | I | C | 0.0000 | |
| 221 | R | C | -3.9629 | |
| 222 | D | C | -4.4031 | |
| 223 | N | C | -4.2823 | |
| 224 | E | C | -4.1290 | |
| 225 | R | C | -4.1907 | |
| 226 | D | C | -4.3769 | |
| 227 | G | C | -3.9450 | |
| 228 | D | C | -3.8344 | |
| 229 | A | C | -2.7627 | |
| 230 | R | C | -1.1663 | |
| 231 | V | C | -0.0160 | |
| 232 | H | C | 0.0000 | |
| 233 | V | C | 0.8221 | |
| 234 | S | C | 0.0000 | |
| 235 | E | C | -0.8376 | |
| 236 | E | C | -1.2739 | |
| 237 | G | C | -0.9947 | |
| 238 | T | C | -0.4971 | |
| 239 | E | C | 0.0000 | |
| 240 | P | C | 0.0000 | |
| 241 | E | C | 0.0000 | |
| 242 | A | C | 0.0000 | |
| 243 | M | C | 0.0000 | |
| 244 | L | C | 0.0000 | |
| 245 | Q | C | -0.4721 | |
| 246 | V | C | 0.4104 | |
| 247 | L | C | 0.0532 | |
| 248 | G | C | -0.1046 | |
| 249 | P | C | -0.3707 | |
| 250 | K | C | -0.9064 | |
| 251 | P | C | -0.7622 | |
| 252 | A | C | -0.3556 | |
| 253 | L | C | 0.0000 | |
| 254 | P | C | -0.6493 | |
| 255 | A | C | -0.6971 | |
| 256 | G | C | -1.2647 | |
| 257 | T | C | -1.5935 | |
| 258 | E | C | -2.9837 | |
| 259 | D | C | -3.2420 | |
| 1 | Q | B | -2.0213 | |
| 2 | V | B | -1.6422 | |
| 3 | Q | B | -2.1345 | |
| 4 | L | B | 0.0000 | |
| 5 | Q | B | -1.7261 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -1.1777 | |
| 8 | G | B | -1.1678 | |
| 9 | G | B | -0.8934 | |
| 10 | G | B | -0.1744 | |
| 11 | L | B | 0.8974 | |
| 12 | V | B | 0.0000 | |
| 13 | Q | B | -1.3909 | |
| 14 | A | B | -1.5360 | |
| 15 | G | B | -1.7604 | |
| 16 | G | B | -1.2714 | |
| 17 | S | B | -1.4411 | |
| 18 | L | B | -1.2638 | |
| 19 | R | B | -2.2388 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.9583 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -1.0215 | |
| 24 | A | B | -1.3380 | |
| 25 | S | B | -1.6994 | |
| 26 | G | B | -2.0118 | |
| 27 | R | B | -2.4127 | |
| 28 | T | B | -1.2309 | |
| 29 | F | B | -0.1364 | |
| 30 | S | B | -0.2965 | |
| 31 | S | B | -0.4794 | |
| 32 | F | B | 0.0000 | |
| 33 | V | B | 0.0000 | |
| 34 | M | B | 0.0000 | |
| 35 | G | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | F | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -2.0489 | |
| 40 | A | B | -1.9656 | |
| 41 | P | B | -1.3533 | |
| 42 | G | B | -1.8999 | |
| 43 | K | B | -3.3144 | |
| 44 | E | B | -3.6114 | |
| 45 | R | B | -2.9480 | |
| 46 | E | B | -2.9479 | |
| 47 | F | B | 0.0000 | |
| 48 | V | B | 0.0000 | |
| 49 | A | B | 0.0000 | |
| 50 | S | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | S | B | 0.0000 | |
| 53 | R | B | -0.3437 | |
| 54 | S | B | -0.5476 | |
| 55 | G | B | -0.8092 | |
| 56 | S | B | -0.1389 | |
| 57 | V | B | 0.3519 | |
| 58 | T | B | -0.6416 | |
| 59 | R | B | -2.1713 | |
| 60 | Y | B | -1.8958 | |
| 61 | A | B | -1.9793 | |
| 62 | D | B | -2.4928 | |
| 63 | S | B | -1.6977 | |
| 64 | A | B | 0.0000 | |
| 65 | K | B | -2.7360 | |
| 66 | G | B | -1.9233 | |
| 67 | R | B | -1.7262 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -1.1229 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.5859 | |
| 72 | K | B | -1.3031 | |
| 73 | D | B | -1.8523 | |
| 74 | N | B | -1.9462 | |
| 75 | A | B | -1.4666 | |
| 76 | K | B | -2.2365 | |
| 77 | N | B | -1.5668 | |
| 78 | T | B | -1.2684 | |
| 79 | V | B | 0.0000 | |
| 80 | S | B | -0.7905 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.2760 | |
| 83 | M | B | 0.0000 | |
| 84 | D | B | -2.0338 | |
| 85 | N | B | -2.2787 | |
| 86 | L | B | 0.0000 | |
| 87 | N | B | -2.1469 | |
| 88 | P | B | -1.7134 | |
| 89 | D | B | -2.1542 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.8510 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | -0.4668 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | -0.6567 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | A | B | 0.0000 | |
| 99 | D | B | 0.0000 | |
| 100 | L | B | 0.0000 | |
| 101 | H | B | -0.2808 | |
| 102 | R | B | -0.1012 | |
| 103 | P | B | 0.0000 | |
| 104 | Y | B | 1.1935 | |
| 105 | G | B | 0.2922 | |
| 106 | P | B | -0.3465 | |
| 107 | G | B | 0.0000 | |
| 108 | S | B | -1.8050 | |
| 109 | Q | B | -2.7941 | |
| 110 | R | B | -3.2882 | |
| 111 | T | B | -2.5929 | |
| 112 | D | B | -2.8060 | |
| 113 | D | B | 0.0000 | |
| 114 | Y | B | 0.0000 | |
| 115 | D | B | -1.6550 | |
| 116 | T | B | -1.0622 | |
| 117 | W | B | -0.7347 | |
| 118 | G | B | -1.1895 | |
| 119 | Q | B | -1.4952 | |
| 120 | G | B | -1.0372 | |
| 121 | T | B | -1.0579 | |
| 122 | Q | B | -0.9711 | |
| 123 | V | B | 0.0000 | |
| 124 | T | B | -0.3165 | |
| 125 | V | B | 0.0000 | |
| 126 | S | B | -0.7881 | |
| 160 | Q | D | -1.2836 | |
| 161 | R | D | -1.3054 | |
| 162 | L | D | 0.0000 | |
| 163 | F | D | -0.7572 | |
| 164 | Q | D | -0.6881 | |
| 165 | V | D | 0.0000 | |
| 166 | K | D | -0.8250 | |
| 167 | G | D | 0.0000 | |
| 168 | R | D | -2.4839 | |
| 169 | R | D | -2.0276 | |
| 170 | V | D | 0.1656 | |
| 171 | V | D | -0.2638 | |
| 172 | R | D | -0.7890 | |
| 173 | A | D | -0.7971 | |
| 174 | T | D | -0.9798 | |
| 175 | E | D | -1.7988 | |
| 176 | V | D | -0.8914 | |
| 177 | P | D | -0.7747 | |
| 178 | V | D | -0.2948 | |
| 179 | S | D | -0.4146 | |
| 180 | W | D | 0.0000 | |
| 181 | E | D | -1.8568 | |
| 182 | S | D | -1.0485 | |
| 183 | F | D | 0.0000 | |
| 184 | N | D | -0.8696 | |
| 185 | N | D | -0.9545 | |
| 186 | G | D | -1.2272 | |
| 187 | D | D | 0.0000 | |
| 188 | C | D | 0.0000 | |
| 189 | F | D | 0.0000 | |
| 190 | I | D | 0.0000 | |
| 191 | L | D | 0.0000 | |
| 192 | D | D | 0.0000 | |
| 193 | L | D | -0.7477 | |
| 194 | G | D | -1.7442 | |
| 195 | N | D | -2.0136 | |
| 196 | N | D | 0.0000 | |
| 197 | I | D | 0.0000 | |
| 198 | H | D | 0.0000 | |
| 199 | Q | D | 0.0000 | |
| 200 | W | D | 0.0000 | |
| 201 | C | D | 0.0000 | |
| 202 | G | D | 0.0000 | |
| 203 | S | D | -1.2932 | |
| 204 | N | D | -1.7825 | |
| 205 | S | D | -1.5169 | |
| 206 | N | D | -1.5917 | |
| 207 | R | D | -2.2105 | |
| 208 | Y | D | -1.0263 | |
| 209 | E | D | 0.0000 | |
| 210 | R | D | -0.5278 | |
| 211 | L | D | 0.4243 | |
| 212 | K | D | -0.7282 | |
| 213 | A | D | 0.0000 | |
| 214 | T | D | -0.5828 | |
| 215 | Q | D | -1.4901 | |
| 216 | V | D | -0.9793 | |
| 217 | S | D | 0.0000 | |
| 218 | K | D | -2.9124 | |
| 219 | G | D | -2.7318 | |
| 220 | I | D | 0.0000 | |
| 221 | R | D | -3.9009 | |
| 222 | D | D | -3.8749 | |
| 223 | N | D | -4.0533 | |
| 224 | E | D | -4.1090 | |
| 225 | R | D | -4.2069 | |
| 226 | D | D | -4.0820 | |
| 227 | G | D | -3.3227 | |
| 228 | D | D | -3.4498 | |
| 229 | A | D | 0.0000 | |
| 230 | R | D | -1.0629 | |
| 231 | V | D | 0.0280 | |
| 232 | H | D | 0.0000 | |
| 233 | V | D | 0.6602 | |
| 234 | S | D | 0.0000 | |
| 235 | E | D | -1.0225 | |
| 236 | E | D | -1.3198 | |
| 237 | G | D | -1.0153 | |
| 238 | T | D | -0.4982 | |
| 239 | E | D | 0.0000 | |
| 240 | P | D | 0.0000 | |
| 241 | E | D | 0.0000 | |
| 242 | A | D | 0.0000 | |
| 243 | M | D | 0.0000 | |
| 244 | L | D | 0.0000 | |
| 245 | Q | D | -0.4821 | |
| 246 | V | D | 0.3817 | |
| 247 | L | D | 0.0738 | |
| 248 | G | D | -0.1141 | |
| 249 | P | D | -0.3749 | |
| 250 | K | D | -0.8589 | |
| 251 | P | D | -0.7004 | |
| 252 | A | D | -0.2710 | |
| 253 | L | D | -0.5656 | |
| 254 | P | D | -0.5417 | |
| 255 | A | D | -0.6322 | |
| 256 | G | D | -0.9744 | |
| 257 | T | D | -1.1770 | |
| 258 | E | D | -2.2005 | |
| 259 | D | D | -1.6259 | |
| 260 | T | D | -0.9849 | |
| 261 | A | D | -0.3125 |
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