| Chain sequence(s) |
A: TCPPCPAPELVGGPSVFLLPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPPEEQYNSTLRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPLVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG
B: TCPPCPAPELVGGPSVFLLPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPPEEQYNSTLRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPLVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:02)
[INFO] Main: Simulation completed successfully. (00:00:06)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | T | A | 0.0728 | |
| 2 | C | A | 0.2616 | |
| 3 | P | A | 0.0394 | |
| 4 | P | A | -0.0990 | |
| 5 | C | A | 0.0901 | |
| 6 | P | A | -0.5899 | |
| 7 | A | A | -0.3809 | |
| 8 | P | A | -0.6990 | |
| 9 | E | A | -0.7827 | |
| 10 | L | A | 1.2926 | |
| 11 | V | A | 1.6895 | |
| 12 | G | A | 0.3037 | |
| 13 | G | A | -0.0917 | |
| 14 | P | A | 0.0000 | |
| 15 | S | A | 0.2927 | |
| 16 | V | A | 0.0000 | |
| 17 | F | A | 1.9383 | |
| 18 | L | A | 1.1200 | |
| 19 | L | A | 1.1351 | |
| 20 | P | A | -0.0967 | |
| 21 | P | A | 0.0000 | |
| 22 | K | A | -2.2028 | |
| 23 | P | A | -1.3094 | |
| 24 | K | A | -0.9729 | |
| 25 | D | A | -1.1082 | |
| 26 | T | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | M | A | 0.5387 | |
| 29 | I | A | 1.4859 | |
| 30 | S | A | 0.2950 | |
| 31 | R | A | -0.8734 | |
| 32 | T | A | -0.5060 | |
| 33 | P | A | 0.0000 | |
| 34 | E | A | -1.0955 | |
| 35 | V | A | 0.0000 | |
| 36 | T | A | 0.3063 | |
| 37 | C | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | V | A | -0.5430 | |
| 41 | D | A | -1.7589 | |
| 42 | V | A | 0.0000 | |
| 43 | S | A | -2.3405 | |
| 44 | H | A | -2.7016 | |
| 45 | E | A | -2.9928 | |
| 46 | D | A | -2.6405 | |
| 47 | P | A | -2.6224 | |
| 48 | E | A | -3.0067 | |
| 49 | V | A | -1.9095 | |
| 50 | K | A | -2.2481 | |
| 51 | F | A | -1.1628 | |
| 52 | N | A | -1.0434 | |
| 53 | W | A | 0.0000 | |
| 54 | Y | A | -0.4291 | |
| 55 | V | A | -0.7084 | |
| 56 | D | A | -1.9965 | |
| 57 | G | A | -0.7623 | |
| 58 | V | A | 0.7470 | |
| 59 | E | A | -0.4008 | |
| 60 | V | A | -0.3410 | |
| 61 | H | A | -1.7867 | |
| 62 | N | A | -2.0993 | |
| 63 | A | A | -1.8553 | |
| 64 | K | A | -2.4728 | |
| 65 | T | A | -1.9527 | |
| 66 | K | A | -2.4115 | |
| 67 | P | A | -1.8943 | |
| 68 | P | A | -2.3398 | |
| 69 | E | A | -2.8275 | |
| 70 | E | A | -3.0949 | |
| 71 | Q | A | -1.7439 | |
| 72 | Y | A | -0.1208 | |
| 73 | N | A | -1.3079 | |
| 74 | S | A | -1.3711 | |
| 75 | T | A | -1.8062 | |
| 76 | L | A | 0.0000 | |
| 77 | R | A | -2.0051 | |
| 78 | V | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | V | A | -0.8985 | |
| 82 | L | A | 0.0000 | |
| 83 | T | A | -0.5568 | |
| 84 | V | A | 0.0000 | |
| 85 | L | A | 0.9345 | |
| 86 | H | A | -0.0055 | |
| 87 | Q | A | -1.0614 | |
| 88 | D | A | -1.2069 | |
| 89 | W | A | 0.0000 | |
| 90 | L | A | -0.9811 | |
| 91 | N | A | -2.0028 | |
| 92 | G | A | -2.0145 | |
| 93 | K | A | -1.9511 | |
| 94 | E | A | -1.8172 | |
| 95 | Y | A | 0.0000 | |
| 96 | K | A | -1.5235 | |
| 97 | C | A | 0.0000 | |
| 98 | K | A | -1.4298 | |
| 99 | V | A | 0.0000 | |
| 100 | S | A | -1.4092 | |
| 101 | N | A | 0.0000 | |
| 102 | K | A | -2.5644 | |
| 103 | A | A | -1.4595 | |
| 104 | L | A | -0.4327 | |
| 105 | P | A | -0.3259 | |
| 106 | A | A | -0.3973 | |
| 107 | P | A | -0.7922 | |
| 108 | I | A | -0.6317 | |
| 109 | E | A | -1.6776 | |
| 110 | K | A | -1.1304 | |
| 111 | T | A | -0.9050 | |
| 112 | I | A | -0.2627 | |
| 113 | S | A | -1.0786 | |
| 114 | K | A | -1.2228 | |
| 115 | A | A | -1.1804 | |
| 116 | K | A | -2.3588 | |
| 117 | G | A | -1.9904 | |
| 118 | Q | A | -2.1559 | |
| 119 | P | A | -1.8148 | |
| 120 | R | A | -2.0411 | |
| 121 | E | A | -2.6075 | |
| 122 | P | A | 0.0000 | |
| 123 | Q | A | -1.1501 | |
| 124 | V | A | 0.0000 | |
| 125 | Y | A | 0.0000 | |
| 126 | T | A | -0.7232 | |
| 127 | L | A | 0.0000 | |
| 128 | P | A | -0.3145 | |
| 129 | P | A | -0.7018 | |
| 130 | S | A | -1.3275 | |
| 131 | R | A | -2.3761 | |
| 132 | D | A | -2.2757 | |
| 133 | E | A | 0.0000 | |
| 134 | L | A | -1.4267 | |
| 135 | T | A | -1.3380 | |
| 136 | K | A | -2.0419 | |
| 137 | N | A | -2.4639 | |
| 138 | Q | A | -2.3418 | |
| 139 | V | A | 0.0000 | |
| 140 | S | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | T | A | 0.0000 | |
| 143 | C | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | K | A | -0.3190 | |
| 147 | G | A | 0.0000 | |
| 148 | F | A | 0.0000 | |
| 149 | Y | A | -0.9497 | |
| 150 | P | A | 0.0000 | |
| 151 | S | A | 0.0511 | |
| 152 | D | A | -0.8336 | |
| 153 | I | A | -0.3647 | |
| 154 | A | A | -0.4171 | |
| 155 | V | A | 0.0000 | |
| 156 | E | A | -0.9927 | |
| 157 | W | A | 0.0000 | |
| 158 | E | A | -1.6743 | |
| 159 | S | A | 0.0000 | |
| 160 | N | A | -1.8461 | |
| 161 | G | A | -1.7484 | |
| 162 | Q | A | -2.2765 | |
| 163 | P | A | -1.9475 | |
| 164 | E | A | -1.8884 | |
| 165 | N | A | -2.1955 | |
| 166 | N | A | -1.7364 | |
| 167 | Y | A | -1.0727 | |
| 168 | K | A | -0.8556 | |
| 169 | T | A | -0.2918 | |
| 170 | T | A | 0.0000 | |
| 171 | P | A | 0.2070 | |
| 172 | L | A | 0.9781 | |
| 173 | V | A | 1.0174 | |
| 174 | L | A | 1.2831 | |
| 175 | D | A | -0.2401 | |
| 176 | S | A | -1.0757 | |
| 177 | D | A | -1.8243 | |
| 178 | G | A | -0.7786 | |
| 179 | S | A | 0.0000 | |
| 180 | F | A | 0.5510 | |
| 181 | F | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | Y | A | 0.0000 | |
| 184 | S | A | 0.0000 | |
| 185 | K | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | T | A | -1.0064 | |
| 188 | V | A | 0.0000 | |
| 189 | D | A | -2.5455 | |
| 190 | K | A | -2.4238 | |
| 191 | S | A | -2.1503 | |
| 192 | R | A | -1.9189 | |
| 193 | W | A | 0.0000 | |
| 194 | Q | A | -2.2000 | |
| 195 | Q | A | -2.0177 | |
| 196 | G | A | -1.0786 | |
| 197 | N | A | -0.7380 | |
| 198 | V | A | 0.3151 | |
| 199 | F | A | 0.0000 | |
| 200 | S | A | -0.8839 | |
| 201 | C | A | 0.0000 | |
| 202 | S | A | 0.0000 | |
| 203 | V | A | 0.0000 | |
| 204 | M | A | 0.0000 | |
| 205 | H | A | 0.0000 | |
| 206 | E | A | -1.0577 | |
| 207 | A | A | -1.5579 | |
| 208 | L | A | 0.0000 | |
| 209 | H | A | -1.7992 | |
| 210 | N | A | -1.4453 | |
| 211 | H | A | -0.9135 | |
| 212 | Y | A | -0.3225 | |
| 213 | T | A | -0.6537 | |
| 214 | Q | A | -0.9779 | |
| 215 | K | A | -1.0322 | |
| 216 | S | A | -0.4864 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | 0.0325 | |
| 219 | L | A | 0.0193 | |
| 220 | S | A | -0.2785 | |
| 221 | P | A | -0.5445 | |
| 222 | G | A | -0.5293 | |
| 1 | T | B | 0.0032 | |
| 2 | C | B | 0.2351 | |
| 3 | P | B | -0.0741 | |
| 4 | P | B | -0.1315 | |
| 5 | C | B | 0.0000 | |
| 6 | P | B | -0.5862 | |
| 7 | A | B | -0.5992 | |
| 8 | P | B | -1.0854 | |
| 9 | E | B | -1.2998 | |
| 10 | L | B | 0.1746 | |
| 11 | V | B | 1.1419 | |
| 12 | G | B | 0.1982 | |
| 13 | G | B | -0.1918 | |
| 14 | P | B | 0.0000 | |
| 15 | S | B | 0.3313 | |
| 16 | V | B | 0.0000 | |
| 17 | F | B | 1.9691 | |
| 18 | L | B | 1.1378 | |
| 19 | L | B | 1.1485 | |
| 20 | P | B | -0.0937 | |
| 21 | P | B | 0.0000 | |
| 22 | K | B | -2.0935 | |
| 23 | P | B | -1.2986 | |
| 24 | K | B | -0.9513 | |
| 25 | D | B | -1.0939 | |
| 26 | T | B | 0.0000 | |
| 27 | L | B | 0.0000 | |
| 28 | M | B | 0.5481 | |
| 29 | I | B | 1.4971 | |
| 30 | S | B | 0.3075 | |
| 31 | R | B | -0.6753 | |
| 32 | T | B | -0.4947 | |
| 33 | P | B | 0.0000 | |
| 34 | E | B | -1.1054 | |
| 35 | V | B | 0.0000 | |
| 36 | T | B | 0.3080 | |
| 37 | C | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | V | B | 0.0000 | |
| 40 | V | B | -0.2161 | |
| 41 | D | B | -0.8381 | |
| 42 | V | B | 0.0000 | |
| 43 | S | B | -2.1332 | |
| 44 | H | B | -2.5872 | |
| 45 | E | B | -2.9808 | |
| 46 | D | B | -2.6334 | |
| 47 | P | B | -2.5444 | |
| 48 | E | B | -3.0029 | |
| 49 | V | B | -1.9099 | |
| 50 | K | B | -2.2501 | |
| 51 | F | B | -1.1820 | |
| 52 | N | B | -1.0419 | |
| 53 | W | B | 0.0000 | |
| 54 | Y | B | -0.4309 | |
| 55 | V | B | -0.7098 | |
| 56 | D | B | -1.9977 | |
| 57 | G | B | -0.7636 | |
| 58 | V | B | 0.7485 | |
| 59 | E | B | -0.3907 | |
| 60 | V | B | -0.3368 | |
| 61 | H | B | -1.7856 | |
| 62 | N | B | -2.0982 | |
| 63 | A | B | -1.8599 | |
| 64 | K | B | -2.4765 | |
| 65 | T | B | -1.9621 | |
| 66 | K | B | -2.4310 | |
| 67 | P | B | -1.9076 | |
| 68 | P | B | -2.3552 | |
| 69 | E | B | -2.8584 | |
| 70 | E | B | -2.8775 | |
| 71 | Q | B | -1.4104 | |
| 72 | Y | B | 0.1813 | |
| 73 | N | B | -0.4565 | |
| 74 | S | B | -0.8508 | |
| 75 | T | B | 0.0000 | |
| 76 | L | B | 0.0000 | |
| 77 | R | B | -1.8361 | |
| 78 | V | B | 0.0000 | |
| 79 | V | B | 0.0000 | |
| 80 | S | B | 0.0000 | |
| 81 | V | B | -0.8840 | |
| 82 | L | B | 0.0000 | |
| 83 | T | B | -0.5644 | |
| 84 | V | B | 0.0000 | |
| 85 | L | B | 0.9377 | |
| 86 | H | B | 0.0008 | |
| 87 | Q | B | -1.0596 | |
| 88 | D | B | -1.2079 | |
| 89 | W | B | 0.0000 | |
| 90 | L | B | -0.9851 | |
| 91 | N | B | -2.0028 | |
| 92 | G | B | -2.0126 | |
| 93 | K | B | -1.9525 | |
| 94 | E | B | -1.8294 | |
| 95 | Y | B | 0.0000 | |
| 96 | K | B | -1.5231 | |
| 97 | C | B | 0.0000 | |
| 98 | K | B | -1.4171 | |
| 99 | V | B | 0.0000 | |
| 100 | S | B | -1.4019 | |
| 101 | N | B | 0.0000 | |
| 102 | K | B | -2.5548 | |
| 103 | A | B | -1.3897 | |
| 104 | L | B | -0.6312 | |
| 105 | P | B | -0.5339 | |
| 106 | A | B | -0.3878 | |
| 107 | P | B | -0.7750 | |
| 108 | I | B | -0.6238 | |
| 109 | E | B | -1.6478 | |
| 110 | K | B | -1.1096 | |
| 111 | T | B | -0.9008 | |
| 112 | I | B | -0.2638 | |
| 113 | S | B | -1.0822 | |
| 114 | K | B | -1.2257 | |
| 115 | A | B | -1.1807 | |
| 116 | K | B | -2.3578 | |
| 117 | G | B | -1.9920 | |
| 118 | Q | B | -2.1603 | |
| 119 | P | B | -1.8239 | |
| 120 | R | B | -2.0527 | |
| 121 | E | B | -2.6133 | |
| 122 | P | B | 0.0000 | |
| 123 | Q | B | -1.1524 | |
| 124 | V | B | 0.0000 | |
| 125 | Y | B | 0.0000 | |
| 126 | T | B | -0.7241 | |
| 127 | L | B | 0.0000 | |
| 128 | P | B | -0.3171 | |
| 129 | P | B | -0.7052 | |
| 130 | S | B | -1.3332 | |
| 131 | R | B | -2.3840 | |
| 132 | D | B | -2.2908 | |
| 133 | E | B | 0.0000 | |
| 134 | L | B | -1.4318 | |
| 135 | T | B | -1.3427 | |
| 136 | K | B | -2.0470 | |
| 137 | N | B | -2.4602 | |
| 138 | Q | B | -2.3288 | |
| 139 | V | B | 0.0000 | |
| 140 | S | B | 0.0000 | |
| 141 | L | B | 0.0000 | |
| 142 | T | B | 0.0000 | |
| 143 | C | B | 0.0000 | |
| 144 | L | B | 0.0000 | |
| 145 | V | B | 0.0000 | |
| 146 | K | B | -0.3206 | |
| 147 | G | B | 0.0000 | |
| 148 | F | B | 0.0000 | |
| 149 | Y | B | -0.9531 | |
| 150 | P | B | 0.0000 | |
| 151 | S | B | 0.0553 | |
| 152 | D | B | -0.8230 | |
| 153 | I | B | -0.3639 | |
| 154 | A | B | -0.4133 | |
| 155 | V | B | 0.0000 | |
| 156 | E | B | -0.9524 | |
| 157 | W | B | 0.0000 | |
| 158 | E | B | -1.6731 | |
| 159 | S | B | 0.0000 | |
| 160 | N | B | -1.8516 | |
| 161 | G | B | -1.7515 | |
| 162 | Q | B | -2.2796 | |
| 163 | P | B | -1.9384 | |
| 164 | E | B | -1.8720 | |
| 165 | N | B | -2.1701 | |
| 166 | N | B | -1.6968 | |
| 167 | Y | B | -1.0412 | |
| 168 | K | B | -0.8279 | |
| 169 | T | B | -0.3002 | |
| 170 | T | B | 0.0000 | |
| 171 | P | B | 0.2105 | |
| 172 | L | B | 0.9765 | |
| 173 | V | B | 1.0132 | |
| 174 | L | B | 1.2800 | |
| 175 | D | B | -0.2445 | |
| 176 | S | B | -1.0811 | |
| 177 | D | B | -1.8261 | |
| 178 | G | B | -0.7830 | |
| 179 | S | B | 0.0000 | |
| 180 | F | B | 0.5488 | |
| 181 | F | B | 0.0000 | |
| 182 | L | B | 0.0000 | |
| 183 | Y | B | 0.0000 | |
| 184 | S | B | 0.0000 | |
| 185 | K | B | 0.0000 | |
| 186 | L | B | 0.0000 | |
| 187 | T | B | -0.9908 | |
| 188 | V | B | 0.0000 | |
| 189 | D | B | -2.5294 | |
| 190 | K | B | -2.4140 | |
| 191 | S | B | -2.1402 | |
| 192 | R | B | -1.9059 | |
| 193 | W | B | 0.0000 | |
| 194 | Q | B | -2.1975 | |
| 195 | Q | B | -2.0158 | |
| 196 | G | B | -1.0807 | |
| 197 | N | B | -0.7424 | |
| 198 | V | B | 0.3073 | |
| 199 | F | B | 0.0000 | |
| 200 | S | B | -0.8834 | |
| 201 | C | B | 0.0000 | |
| 202 | S | B | 0.0000 | |
| 203 | V | B | 0.0000 | |
| 204 | M | B | 0.0000 | |
| 205 | H | B | 0.0000 | |
| 206 | E | B | -1.0613 | |
| 207 | A | B | -1.5623 | |
| 208 | L | B | 0.0000 | |
| 209 | H | B | -1.8040 | |
| 210 | N | B | -1.4553 | |
| 211 | H | B | -0.9254 | |
| 212 | Y | B | -0.3456 | |
| 213 | T | B | -0.6656 | |
| 214 | Q | B | -0.9805 | |
| 215 | K | B | -1.0403 | |
| 216 | S | B | -0.4935 | |
| 217 | L | B | 0.0000 | |
| 218 | S | B | 0.0283 | |
| 219 | L | B | 0.0117 | |
| 220 | S | B | -0.2825 | |
| 221 | P | B | -0.5483 | |
| 222 | G | B | -0.5310 |
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