| Chain sequence(s) |
A: SKEYGVTIGESRIIYPLDAAGVMVSVVVKNTQDYPVLIQSRIYDDENKEPFVVTPPLFRLDAKQQNSLRIAQAGGVFPRDKESLKWLCVKGIPPKDPDKDVGVFVQFAINNCIKLLVRPNELKGTPIQFAENLSWKVDGGKLIAENPSPFYMNIGELTFGGKSSIPSHYIPPKSTWAFDLPKGLAGARNVSWRIINDQGGLDRRLYSKNVT
C: PARITLTYKEGAPITIMDNGNIDTELLVGTLTLGGYKTGTTSTSVNFTDAAGDPMYLTFTSQDGNNHQFTTKVIGKDSRDFDISPKVNGENDVVLATGSQDFFVRSIGSKGGKLAAGKYTDAVTVTVSNQ B: ADLTASTTTRTATLVVVEPARITLTYKEGAPITIMDNGNIDTELLVGTLTLGGYKTGTTSTSSVNFTDAAGDPMYLTFTSQDGNNHQFTTKVIGKDSRDFDISPKVNGENLVGDDVVLATGSQDFFVRSIGSKGGKLAAGKYTDAVTVTVSNQ input PDB |
| Selected Chain(s) | A,C,B |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:04)
|
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 | |
| 9 | S | A | -2.0133 | |
| 10 | K | A | -2.2298 | |
| 11 | E | A | -2.2826 | |
| 12 | Y | A | 0.0000 | |
| 13 | G | A | 0.0000 | |
| 14 | V | A | 0.0000 | |
| 15 | T | A | -0.7232 | |
| 16 | I | A | 0.0000 | |
| 17 | G | A | -0.6217 | |
| 18 | E | A | -0.6999 | |
| 19 | S | A | 0.0000 | |
| 20 | R | A | 0.0000 | |
| 21 | I | A | 0.0000 | |
| 22 | I | A | 0.2253 | |
| 23 | Y | A | 0.0000 | |
| 24 | P | A | -0.9976 | |
| 25 | L | A | 0.0000 | |
| 26 | D | A | -1.9330 | |
| 27 | A | A | -0.9923 | |
| 28 | A | A | -0.5764 | |
| 29 | G | A | -0.1108 | |
| 30 | V | A | 0.5064 | |
| 31 | M | A | 0.5917 | |
| 32 | V | A | 0.0000 | |
| 33 | S | A | -0.9123 | |
| 34 | V | A | 0.0000 | |
| 35 | K | A | -2.3348 | |
| 36 | N | A | 0.0000 | |
| 37 | T | A | -1.8853 | |
| 38 | Q | A | -2.0559 | |
| 39 | D | A | -2.5883 | |
| 40 | Y | A | -1.3673 | |
| 41 | P | A | -1.4759 | |
| 42 | V | A | 0.0000 | |
| 43 | L | A | 0.1505 | |
| 44 | I | A | 0.0000 | |
| 45 | Q | A | -0.3030 | |
| 46 | S | A | 0.0000 | |
| 47 | R | A | -1.3609 | |
| 48 | I | A | -0.5013 | |
| 49 | Y | A | -0.8762 | |
| 50 | D | A | -1.3908 | |
| 51 | E | A | -1.9081 | |
| 52 | N | A | -2.2133 | |
| 53 | K | A | -1.6644 | |
| 54 | E | A | -1.4220 | |
| 60 | P | A | 0.0132 | |
| 61 | F | A | 0.0000 | |
| 62 | V | A | 0.5696 | |
| 63 | V | A | 0.0000 | |
| 64 | T | A | -0.1490 | |
| 65 | P | A | -0.1175 | |
| 66 | P | A | -0.0151 | |
| 67 | L | A | 0.5456 | |
| 68 | F | A | -0.2379 | |
| 69 | R | A | -1.7075 | |
| 70 | L | A | 0.0000 | |
| 71 | D | A | -2.9017 | |
| 72 | A | A | -2.7223 | |
| 73 | K | A | -3.1507 | |
| 74 | Q | A | -3.5775 | |
| 75 | Q | A | -3.1247 | |
| 76 | N | A | -2.4099 | |
| 77 | S | A | -0.9951 | |
| 78 | L | A | 0.0000 | |
| 79 | R | A | -0.4116 | |
| 80 | I | A | 0.0000 | |
| 81 | A | A | -0.0686 | |
| 82 | Q | A | -0.6135 | |
| 83 | A | A | -0.2988 | |
| 84 | G | A | -0.6569 | |
| 85 | G | A | -0.1060 | |
| 86 | V | A | 1.1336 | |
| 87 | F | A | 0.0378 | |
| 88 | P | A | -0.8577 | |
| 89 | R | A | -2.5192 | |
| 90 | D | A | -3.1384 | |
| 91 | K | A | -2.2904 | |
| 92 | E | A | 0.0000 | |
| 93 | S | A | -0.7824 | |
| 94 | L | A | 0.0000 | |
| 95 | K | A | -0.7868 | |
| 96 | W | A | -0.6429 | |
| 97 | L | A | 0.0000 | |
| 98 | C | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | K | A | -0.3304 | |
| 101 | G | A | 0.0000 | |
| 102 | I | A | 0.3127 | |
| 103 | P | A | -0.4704 | |
| 104 | P | A | -1.0052 | |
| 105 | K | A | -2.2997 | |
| 106 | D | A | -2.5109 | |
| 122 | P | A | -1.6939 | |
| 123 | D | A | -2.3949 | |
| 124 | K | A | -1.7075 | |
| 125 | D | A | -1.3081 | |
| 126 | V | A | 0.0000 | |
| 127 | G | A | -0.5191 | |
| 128 | V | A | -0.2259 | |
| 129 | F | A | -0.2518 | |
| 130 | V | A | 0.0000 | |
| 131 | Q | A | -0.8501 | |
| 132 | F | A | 0.0000 | |
| 133 | A | A | 0.0000 | |
| 134 | I | A | 0.0000 | |
| 135 | N | A | -0.4870 | |
| 136 | N | A | 0.0000 | |
| 137 | C | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | R | A | -1.4224 | |
| 144 | P | A | 0.0000 | |
| 145 | N | A | -3.0377 | |
| 146 | E | A | -3.3625 | |
| 147 | L | A | -2.6754 | |
| 148 | K | A | -2.5150 | |
| 149 | G | A | -1.4192 | |
| 150 | T | A | -0.5404 | |
| 151 | P | A | 0.0000 | |
| 152 | I | A | -0.0103 | |
| 153 | Q | A | -1.1974 | |
| 154 | F | A | -0.7433 | |
| 155 | A | A | 0.0000 | |
| 156 | E | A | -2.3087 | |
| 157 | N | A | -2.2370 | |
| 158 | L | A | 0.0000 | |
| 159 | S | A | -1.9404 | |
| 160 | W | A | 0.0000 | |
| 161 | K | A | -2.2926 | |
| 162 | V | A | -1.0888 | |
| 163 | D | A | -2.2165 | |
| 164 | G | A | -1.6495 | |
| 165 | G | A | -1.5528 | |
| 166 | K | A | -1.9020 | |
| 167 | L | A | 0.0000 | |
| 168 | I | A | -1.1664 | |
| 169 | A | A | 0.0000 | |
| 170 | E | A | -2.4512 | |
| 171 | N | A | 0.0000 | |
| 172 | P | A | -1.4996 | |
| 173 | S | A | 0.0000 | |
| 174 | P | A | -1.5201 | |
| 175 | F | A | 0.0000 | |
| 176 | Y | A | 0.0000 | |
| 177 | M | A | 0.0000 | |
| 178 | N | A | 0.0000 | |
| 179 | I | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | E | A | -0.7179 | |
| 182 | L | A | 0.0000 | |
| 183 | T | A | -1.0884 | |
| 184 | F | A | 0.0000 | |
| 185 | G | A | -1.7751 | |
| 186 | G | A | -1.5244 | |
| 187 | K | A | -1.7858 | |
| 188 | S | A | -0.9552 | |
| 189 | I | A | 0.0000 | |
| 190 | P | A | -0.6273 | |
| 191 | S | A | 0.0000 | |
| 192 | H | A | -0.3161 | |
| 193 | Y | A | 0.0000 | |
| 194 | I | A | 0.0000 | |
| 195 | P | A | -0.7457 | |
| 196 | P | A | 0.0000 | |
| 197 | K | A | -2.2577 | |
| 198 | S | A | -1.3290 | |
| 199 | T | A | -0.9013 | |
| 200 | W | A | -0.0286 | |
| 201 | A | A | -0.8463 | |
| 202 | F | A | 0.0000 | |
| 203 | D | A | -2.3069 | |
| 204 | L | A | -1.2870 | |
| 205 | P | A | -1.5388 | |
| 206 | K | A | -1.6235 | |
| 207 | G | A | -1.1528 | |
| 208 | L | A | -0.9751 | |
| 209 | A | A | -0.6076 | |
| 210 | G | A | -0.9274 | |
| 211 | A | A | -1.4573 | |
| 212 | R | A | -2.6430 | |
| 213 | N | A | -2.3693 | |
| 214 | V | A | 0.0000 | |
| 215 | S | A | -0.7625 | |
| 216 | W | A | 0.0000 | |
| 217 | R | A | -0.4959 | |
| 218 | I | A | 0.0000 | |
| 219 | I | A | 0.0000 | |
| 220 | N | A | 0.0000 | |
| 221 | D | A | -0.2872 | |
| 222 | Q | A | -0.4949 | |
| 223 | G | A | 0.0000 | |
| 224 | G | A | 0.0000 | |
| 225 | L | A | -0.0897 | |
| 226 | D | A | 0.0000 | |
| 227 | R | A | -0.8118 | |
| 228 | L | A | 0.1073 | |
| 229 | Y | A | -0.4726 | |
| 230 | S | A | -1.0044 | |
| 231 | K | A | -2.0764 | |
| 232 | N | A | -2.7621 | |
| 233 | V | A | 0.0000 | |
| 234 | T | A | -1.3580 | |
| 1 | A | B | -1.2776 | |
| 2 | D | B | -1.9737 | |
| 3 | L | B | -0.8205 | |
| 4 | T | B | -0.4518 | |
| 5 | A | B | -0.1480 | |
| 6 | S | B | -0.3539 | |
| 7 | T | B | -0.2959 | |
| 8 | T | B | -0.4384 | |
| 9 | R | B | -1.0222 | |
| 10 | T | B | -0.8325 | |
| 11 | A | B | 0.0000 | |
| 12 | T | B | -0.5484 | |
| 13 | L | B | 0.0000 | |
| 14 | V | B | -0.2927 | |
| 15 | E | B | -0.6197 | |
| 16 | P | B | -0.7265 | |
| 17 | A | B | 0.0000 | |
| 18 | R | B | -0.9147 | |
| 19 | I | B | 0.0000 | |
| 20 | T | B | -0.4645 | |
| 21 | L | B | 0.0000 | |
| 22 | T | B | -1.5709 | |
| 23 | Y | B | 0.0000 | |
| 24 | K | B | -3.0103 | |
| 25 | E | B | -2.7141 | |
| 26 | G | B | -1.1602 | |
| 27 | A | B | -0.5283 | |
| 28 | P | B | -0.5048 | |
| 29 | I | B | 0.0000 | |
| 30 | T | B | -0.6718 | |
| 31 | I | B | -0.9630 | |
| 32 | M | B | -1.2319 | |
| 33 | D | B | -2.2626 | |
| 34 | N | B | -2.4606 | |
| 35 | G | B | -2.0753 | |
| 36 | N | B | -2.2053 | |
| 37 | I | B | 0.0000 | |
| 38 | D | B | -1.4830 | |
| 39 | T | B | -1.0741 | |
| 40 | E | B | -1.1476 | |
| 41 | L | B | -0.2401 | |
| 42 | L | B | 0.1894 | |
| 43 | V | B | 0.0000 | |
| 44 | G | B | 0.0000 | |
| 45 | T | B | -1.0249 | |
| 46 | L | B | 0.0000 | |
| 47 | T | B | -0.8182 | |
| 48 | L | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | G | B | -0.9093 | |
| 51 | Y | B | 0.0000 | |
| 52 | K | B | -1.0453 | |
| 53 | T | B | -0.4872 | |
| 54 | G | B | -0.2770 | |
| 55 | T | B | 0.0000 | |
| 56 | T | B | 0.0000 | |
| 57 | S | B | 0.0000 | |
| 58 | T | B | -0.8246 | |
| 59 | S | B | -0.2766 | |
| 60 | V | B | 0.0000 | |
| 61 | N | B | -0.9372 | |
| 62 | F | B | 0.0000 | |
| 63 | T | B | -0.6609 | |
| 64 | D | B | -0.4378 | |
| 65 | A | B | -0.2597 | |
| 66 | A | B | -0.3775 | |
| 67 | G | B | -0.7038 | |
| 68 | D | B | -1.1467 | |
| 69 | P | B | -1.1496 | |
| 70 | M | B | -0.6251 | |
| 71 | Y | B | -0.2897 | |
| 72 | L | B | 0.0000 | |
| 73 | T | B | 0.0000 | |
| 74 | F | B | 0.0000 | |
| 75 | T | B | -1.4810 | |
| 76 | S | B | -2.3114 | |
| 77 | Q | B | -2.8639 | |
| 78 | D | B | -3.3649 | |
| 79 | G | B | -2.7182 | |
| 80 | N | B | -3.0047 | |
| 81 | N | B | -2.9145 | |
| 82 | H | B | -2.5639 | |
| 83 | Q | B | -1.7600 | |
| 84 | F | B | 0.0000 | |
| 85 | T | B | -0.3361 | |
| 86 | T | B | 0.0000 | |
| 87 | K | B | -0.0094 | |
| 88 | V | B | 0.0000 | |
| 89 | I | B | -0.3318 | |
| 90 | G | B | 0.0000 | |
| 91 | K | B | -1.8267 | |
| 92 | D | B | -1.3513 | |
| 93 | S | B | -1.0534 | |
| 94 | R | B | -1.2276 | |
| 95 | D | B | -1.8635 | |
| 96 | F | B | -0.1643 | |
| 97 | D | B | -1.0411 | |
| 98 | I | B | 0.0000 | |
| 99 | S | B | 0.0000 | |
| 100 | P | B | 0.0000 | |
| 101 | K | B | -1.4376 | |
| 102 | V | B | 0.0000 | |
| 103 | N | B | -1.2697 | |
| 104 | G | B | -1.5182 | |
| 105 | E | B | -2.1907 | |
| 106 | N | B | -1.3469 | |
| 107 | L | B | -0.0741 | |
| 108 | V | B | 0.0217 | |
| 109 | G | B | -0.6892 | |
| 110 | D | B | -1.2481 | |
| 111 | D | B | -1.3477 | |
| 112 | V | B | -0.3706 | |
| 113 | V | B | 0.2271 | |
| 114 | L | B | 0.0000 | |
| 115 | A | B | -0.3713 | |
| 116 | T | B | -0.3658 | |
| 117 | G | B | -0.8949 | |
| 118 | S | B | -0.6810 | |
| 119 | Q | B | 0.0000 | |
| 120 | D | B | -1.0807 | |
| 121 | F | B | 0.0000 | |
| 122 | F | B | -0.1118 | |
| 123 | V | B | 0.0000 | |
| 124 | R | B | -0.2470 | |
| 125 | S | B | 0.0000 | |
| 126 | I | B | -0.2209 | |
| 127 | G | B | -0.9982 | |
| 128 | S | B | -1.6285 | |
| 129 | K | B | -2.2546 | |
| 130 | G | B | -2.0726 | |
| 131 | G | B | -2.1078 | |
| 132 | K | B | -2.5780 | |
| 133 | L | B | 0.0000 | |
| 134 | A | B | -1.6191 | |
| 135 | A | B | -1.4784 | |
| 136 | G | B | -1.6451 | |
| 137 | K | B | -1.3187 | |
| 138 | Y | B | 0.0000 | |
| 139 | T | B | -0.3914 | |
| 140 | D | B | -0.1649 | |
| 141 | A | B | -0.2793 | |
| 142 | V | B | 0.0000 | |
| 143 | T | B | -0.1861 | |
| 144 | V | B | 0.0000 | |
| 145 | T | B | -0.2944 | |
| 146 | V | B | 0.0000 | |
| 147 | S | B | -0.1959 | |
| 148 | N | B | 0.0000 | |
| 149 | Q | B | -0.3308 | |
| 16 | P | C | -0.3696 | |
| 17 | A | C | -0.6788 | |
| 18 | R | C | -0.7386 | |
| 19 | I | C | 0.0000 | |
| 20 | T | C | -0.2737 | |
| 21 | L | C | 0.0000 | |
| 22 | T | C | -0.6103 | |
| 23 | Y | C | -1.1501 | |
| 24 | K | C | -2.0709 | |
| 25 | E | C | -1.6460 | |
| 26 | G | C | -0.7450 | |
| 27 | A | C | -0.3101 | |
| 28 | P | C | -0.3261 | |
| 29 | I | C | 0.0000 | |
| 30 | T | C | -0.5141 | |
| 31 | I | C | 0.0000 | |
| 32 | M | C | -1.3522 | |
| 33 | D | C | -2.6386 | |
| 34 | N | C | -2.5196 | |
| 35 | G | C | 0.0000 | |
| 36 | N | C | -2.0774 | |
| 37 | I | C | 0.0000 | |
| 38 | D | C | -1.7606 | |
| 39 | T | C | -1.2452 | |
| 40 | E | C | -1.4635 | |
| 41 | L | C | -0.3348 | |
| 42 | L | C | 0.3100 | |
| 43 | V | C | 0.0000 | |
| 44 | G | C | 0.0000 | |
| 45 | T | C | -0.7525 | |
| 46 | L | C | 0.0000 | |
| 47 | T | C | -0.6901 | |
| 48 | L | C | 0.0000 | |
| 49 | G | C | 0.0000 | |
| 50 | G | C | -0.9448 | |
| 51 | Y | C | 0.0000 | |
| 52 | K | C | -2.3163 | |
| 53 | T | C | -1.0819 | |
| 54 | G | C | -0.6701 | |
| 55 | T | C | 0.0000 | |
| 56 | T | C | -0.0404 | |
| 57 | S | C | 0.0000 | |
| 58 | T | C | -1.0982 | |
| 59 | S | C | -0.7899 | |
| 60 | V | C | 0.0000 | |
| 61 | N | C | -1.0466 | |
| 62 | F | C | 0.0000 | |
| 63 | T | C | -0.4472 | |
| 64 | D | C | -0.3433 | |
| 65 | A | C | -0.1833 | |
| 66 | A | C | -0.2486 | |
| 67 | G | C | -0.5176 | |
| 68 | D | C | -0.7590 | |
| 69 | P | C | -1.0498 | |
| 70 | M | C | -0.7659 | |
| 71 | Y | C | -0.2831 | |
| 72 | L | C | 0.0000 | |
| 73 | T | C | 0.0000 | |
| 74 | F | C | 0.0000 | |
| 75 | T | C | -1.2687 | |
| 76 | S | C | -1.7515 | |
| 77 | Q | C | -2.2251 | |
| 78 | D | C | -1.6504 | |
| 79 | G | C | -1.9432 | |
| 80 | N | C | -2.1357 | |
| 81 | N | C | -2.2942 | |
| 82 | H | C | -2.1222 | |
| 83 | Q | C | -1.6062 | |
| 84 | F | C | 0.0000 | |
| 85 | T | C | 0.0000 | |
| 86 | T | C | 0.0000 | |
| 87 | K | C | -0.5282 | |
| 88 | V | C | 0.0000 | |
| 89 | I | C | -0.5342 | |
| 90 | G | C | 0.0000 | |
| 91 | K | C | -1.9283 | |
| 92 | D | C | -1.4934 | |
| 93 | S | C | -1.8115 | |
| 94 | R | C | -2.6438 | |
| 95 | D | C | -2.6031 | |
| 96 | F | C | -0.6858 | |
| 97 | D | C | -1.9759 | |
| 98 | I | C | 0.0000 | |
| 99 | S | C | -1.3643 | |
| 100 | P | C | 0.0000 | |
| 101 | K | C | -2.0274 | |
| 102 | V | C | 0.0000 | |
| 103 | N | C | -1.2019 | |
| 104 | G | C | -1.5811 | |
| 105 | E | C | -2.3367 | |
| 106 | N | C | -2.4310 | |
| 111 | D | C | -1.7354 | |
| 112 | V | C | 0.1172 | |
| 113 | V | C | 1.3699 | |
| 114 | L | C | 0.0000 | |
| 115 | A | C | -0.0913 | |
| 116 | T | C | -0.4454 | |
| 117 | G | C | -0.9594 | |
| 118 | S | C | -0.8423 | |
| 119 | Q | C | 0.0000 | |
| 120 | D | C | -1.0835 | |
| 121 | F | C | 0.0000 | |
| 122 | F | C | -0.1058 | |
| 123 | V | C | 0.0000 | |
| 124 | R | C | -0.5691 | |
| 125 | S | C | 0.0000 | |
| 126 | I | C | -0.4247 | |
| 127 | G | C | -0.8162 | |
| 128 | S | C | -1.4380 | |
| 129 | K | C | -1.5383 | |
| 130 | G | C | -1.6877 | |
| 131 | G | C | -2.0381 | |
| 132 | K | C | -2.7784 | |
| 133 | L | C | 0.0000 | |
| 134 | A | C | -0.9198 | |
| 135 | A | C | 0.0000 | |
| 136 | G | C | 0.0000 | |
| 137 | K | C | -1.3143 | |
| 138 | Y | C | 0.0000 | |
| 139 | T | C | -0.7275 | |
| 140 | D | C | 0.0000 | |
| 141 | A | C | -0.2422 | |
| 142 | V | C | 0.0000 | |
| 143 | T | C | -0.2493 | |
| 144 | V | C | 0.0000 | |
| 145 | T | C | -0.5783 | |
| 146 | V | C | 0.0000 | |
| 147 | S | C | -1.6478 | |
| 148 | N | C | -2.0796 | |
| 149 | Q | C | -1.7988 |
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