| Chain sequence(s) |
A: TCPPCPAPELVGGPSVFLLPPKPKDTLMASRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPPEEQYNSTLRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPLVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNAYTQKSLSLSPG
B: TCPPCPAPELVGGPSVFLLPPKPKDTLMASRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPPEEQYNSTLRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPLVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNAYTQKSLSLSPG 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] (00:00:00)
[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. (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:04)
|
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 | 0.2633 | |
| 2 | C | A | 0.7045 | |
| 3 | P | A | 0.1293 | |
| 4 | P | A | 0.0609 | |
| 5 | C | A | 0.3730 | |
| 6 | P | A | -0.3640 | |
| 7 | A | A | -0.3790 | |
| 8 | P | A | -0.3003 | |
| 9 | E | A | -0.6860 | |
| 10 | L | A | 1.5321 | |
| 11 | V | A | 1.4676 | |
| 12 | G | A | 0.3441 | |
| 13 | G | A | -0.0928 | |
| 14 | P | A | 0.0000 | |
| 15 | S | A | 0.1213 | |
| 16 | V | A | 0.0000 | |
| 17 | F | A | 1.9392 | |
| 18 | L | A | 1.1136 | |
| 19 | L | A | 1.1337 | |
| 20 | P | A | -0.1277 | |
| 21 | P | A | 0.0000 | |
| 22 | K | A | -2.1252 | |
| 23 | P | A | -1.1942 | |
| 24 | K | A | -1.0431 | |
| 25 | D | A | -1.3615 | |
| 26 | T | A | 0.0000 | |
| 27 | L | A | -0.5523 | |
| 28 | M | A | -0.1967 | |
| 29 | A | A | -0.2236 | |
| 30 | S | A | -0.5637 | |
| 31 | R | A | -1.3787 | |
| 32 | T | A | -0.8045 | |
| 33 | P | A | 0.0000 | |
| 34 | E | A | -1.0680 | |
| 35 | V | A | 0.0000 | |
| 36 | T | A | 0.3115 | |
| 37 | C | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | V | A | -0.4502 | |
| 41 | D | A | -1.3736 | |
| 42 | V | A | 0.0000 | |
| 43 | S | A | -1.9946 | |
| 44 | H | A | -2.6135 | |
| 45 | E | A | -2.9523 | |
| 46 | D | A | -2.6094 | |
| 47 | P | A | -2.5775 | |
| 48 | E | A | -3.0243 | |
| 49 | V | A | -1.9146 | |
| 50 | K | A | -2.2539 | |
| 51 | F | A | -1.1666 | |
| 52 | N | A | -1.0532 | |
| 53 | W | A | 0.0000 | |
| 54 | Y | A | -0.4332 | |
| 55 | V | A | -0.6833 | |
| 56 | D | A | -1.9778 | |
| 57 | G | A | -0.7666 | |
| 58 | V | A | 0.7437 | |
| 59 | E | A | -0.4087 | |
| 60 | V | A | -0.3502 | |
| 61 | H | A | -1.7929 | |
| 62 | N | A | -2.1021 | |
| 63 | A | A | -1.8468 | |
| 64 | K | A | -2.4569 | |
| 65 | T | A | -1.9200 | |
| 66 | K | A | -2.3222 | |
| 67 | P | A | -2.0030 | |
| 68 | P | A | -2.2395 | |
| 69 | E | A | -2.6543 | |
| 70 | E | A | -2.9821 | |
| 71 | Q | A | -1.6702 | |
| 72 | Y | A | -0.0951 | |
| 73 | N | A | -1.2838 | |
| 74 | S | A | -1.3200 | |
| 75 | T | A | -1.6994 | |
| 76 | L | A | 0.0000 | |
| 77 | R | A | -1.8831 | |
| 78 | V | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | V | A | -0.8840 | |
| 82 | L | A | 0.0000 | |
| 83 | T | A | -0.5555 | |
| 84 | V | A | 0.0000 | |
| 85 | L | A | 0.6923 | |
| 86 | H | A | -0.4031 | |
| 87 | Q | A | -1.2413 | |
| 88 | D | A | -1.0073 | |
| 89 | W | A | 0.0000 | |
| 90 | L | A | -0.8241 | |
| 91 | N | A | -1.9377 | |
| 92 | G | A | -1.9623 | |
| 93 | K | A | -1.9279 | |
| 94 | E | A | -1.8474 | |
| 95 | Y | A | 0.0000 | |
| 96 | K | A | -1.5262 | |
| 97 | C | A | 0.0000 | |
| 98 | K | A | -1.4230 | |
| 99 | V | A | 0.0000 | |
| 100 | S | A | -1.4006 | |
| 101 | N | A | 0.0000 | |
| 102 | K | A | -2.5667 | |
| 103 | A | A | -1.2230 | |
| 104 | L | A | -0.6253 | |
| 105 | P | A | -0.4886 | |
| 106 | A | A | -0.3832 | |
| 107 | P | A | -0.7727 | |
| 108 | I | A | -0.5967 | |
| 109 | E | A | -1.6543 | |
| 110 | K | A | -1.1142 | |
| 111 | T | A | -0.9074 | |
| 112 | I | A | -0.2449 | |
| 113 | S | A | -1.0652 | |
| 114 | K | A | -1.1684 | |
| 115 | A | A | -1.1419 | |
| 116 | K | A | -2.3612 | |
| 117 | G | A | -1.9918 | |
| 118 | Q | A | -2.1585 | |
| 119 | P | A | -1.8456 | |
| 120 | R | A | -2.0914 | |
| 121 | E | A | -2.6260 | |
| 122 | P | A | 0.0000 | |
| 123 | Q | A | -1.1780 | |
| 124 | V | A | 0.0000 | |
| 125 | Y | A | 0.0000 | |
| 126 | T | A | -0.7190 | |
| 127 | L | A | 0.0000 | |
| 128 | P | A | -0.3127 | |
| 129 | P | A | -0.6954 | |
| 130 | S | A | -1.3216 | |
| 131 | R | A | -2.3675 | |
| 132 | D | A | -2.2637 | |
| 133 | E | A | 0.0000 | |
| 134 | L | A | -1.4232 | |
| 135 | T | A | -1.3356 | |
| 136 | K | A | -2.0217 | |
| 137 | N | A | -2.4438 | |
| 138 | Q | A | -2.3094 | |
| 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 | -0.3533 | |
| 147 | G | A | -0.9060 | |
| 148 | F | A | 0.0000 | |
| 149 | Y | A | -0.9661 | |
| 150 | P | A | 0.0000 | |
| 151 | S | A | 0.1308 | |
| 152 | D | A | -0.6947 | |
| 153 | I | A | -0.2642 | |
| 154 | A | A | -0.3496 | |
| 155 | V | A | 0.0000 | |
| 156 | E | A | -0.9911 | |
| 157 | W | A | 0.0000 | |
| 158 | E | A | -1.6766 | |
| 159 | S | A | 0.0000 | |
| 160 | N | A | -1.8478 | |
| 161 | G | A | -1.7504 | |
| 162 | Q | A | -2.2793 | |
| 163 | P | A | -1.9442 | |
| 164 | E | A | -1.8808 | |
| 165 | N | A | -2.1820 | |
| 166 | N | A | -1.7106 | |
| 167 | Y | A | -1.0594 | |
| 168 | K | A | -0.8437 | |
| 169 | T | A | -0.3104 | |
| 170 | T | A | 0.0000 | |
| 171 | P | A | 0.2042 | |
| 172 | L | A | 0.9851 | |
| 173 | V | A | 1.0141 | |
| 174 | L | A | 1.2764 | |
| 175 | D | A | -0.2450 | |
| 176 | S | A | -1.0741 | |
| 177 | D | A | -1.8300 | |
| 178 | G | A | -0.7864 | |
| 179 | S | A | 0.0000 | |
| 180 | F | A | 0.5479 | |
| 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 | -0.9915 | |
| 188 | V | A | 0.0000 | |
| 189 | D | A | -2.5236 | |
| 190 | K | A | -2.4087 | |
| 191 | S | A | -2.1419 | |
| 192 | R | A | -1.9130 | |
| 193 | W | A | 0.0000 | |
| 194 | Q | A | -2.1963 | |
| 195 | Q | A | -2.0150 | |
| 196 | G | A | -1.0720 | |
| 197 | N | A | -0.7317 | |
| 198 | V | A | 0.3221 | |
| 199 | F | A | 0.0000 | |
| 200 | S | A | -0.8873 | |
| 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 | -0.9603 | |
| 207 | A | A | -1.5365 | |
| 208 | L | A | 0.0000 | |
| 209 | H | A | -1.6942 | |
| 210 | N | A | -1.4844 | |
| 211 | A | A | -0.8050 | |
| 212 | Y | A | -0.0425 | |
| 213 | T | A | -0.5346 | |
| 214 | Q | A | -0.9618 | |
| 215 | K | A | -1.0510 | |
| 216 | S | A | -0.4945 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | 0.0404 | |
| 219 | L | A | 0.0215 | |
| 220 | S | A | -0.2767 | |
| 221 | P | A | -0.5435 | |
| 222 | G | A | -0.5288 | |
| 1 | T | B | 0.2597 | |
| 2 | C | B | 0.6960 | |
| 3 | P | B | 0.1298 | |
| 4 | P | B | 0.0664 | |
| 5 | C | B | 0.3746 | |
| 6 | P | B | -0.3595 | |
| 7 | A | B | -0.3688 | |
| 8 | P | B | -0.3158 | |
| 9 | E | B | -0.6643 | |
| 10 | L | B | 1.5308 | |
| 11 | V | B | 1.4616 | |
| 12 | G | B | 0.3592 | |
| 13 | G | B | -0.0521 | |
| 14 | P | B | 0.0000 | |
| 15 | S | B | 0.1220 | |
| 16 | V | B | 0.0000 | |
| 17 | F | B | 1.9401 | |
| 18 | L | B | 1.1144 | |
| 19 | L | B | 1.1321 | |
| 20 | P | B | -0.0913 | |
| 21 | P | B | 0.0000 | |
| 22 | K | B | -2.1383 | |
| 23 | P | B | -1.2126 | |
| 24 | K | B | -1.0152 | |
| 25 | D | B | -1.3654 | |
| 26 | T | B | 0.0000 | |
| 27 | L | B | -0.5646 | |
| 28 | M | B | -0.2026 | |
| 29 | A | B | -0.2242 | |
| 30 | S | B | -0.5616 | |
| 31 | R | B | -1.3733 | |
| 32 | T | B | -0.8049 | |
| 33 | P | B | 0.0000 | |
| 34 | E | B | -1.0826 | |
| 35 | V | B | 0.0000 | |
| 36 | T | B | 0.3078 | |
| 37 | C | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | V | B | 0.0000 | |
| 40 | V | B | -0.4569 | |
| 41 | D | B | -1.3916 | |
| 42 | V | B | 0.0000 | |
| 43 | S | B | -2.0142 | |
| 44 | H | B | -2.6189 | |
| 45 | E | B | -2.9520 | |
| 46 | D | B | -2.6053 | |
| 47 | P | B | -2.5798 | |
| 48 | E | B | -3.0237 | |
| 49 | V | B | -1.9134 | |
| 50 | K | B | -2.2531 | |
| 51 | F | B | -1.1660 | |
| 52 | N | B | -1.0507 | |
| 53 | W | B | 0.0000 | |
| 54 | Y | B | -0.4299 | |
| 55 | V | B | -0.6764 | |
| 56 | D | B | -1.9695 | |
| 57 | G | B | -0.7624 | |
| 58 | V | B | 0.7481 | |
| 59 | E | B | -0.4012 | |
| 60 | V | B | -0.3452 | |
| 61 | H | B | -1.7903 | |
| 62 | N | B | -2.1002 | |
| 63 | A | B | -1.8477 | |
| 64 | K | B | -2.4583 | |
| 65 | T | B | -1.9254 | |
| 66 | K | B | -2.3320 | |
| 67 | P | B | -2.0097 | |
| 68 | P | B | -2.2467 | |
| 69 | E | B | -2.6626 | |
| 70 | E | B | -2.9870 | |
| 71 | Q | B | -1.6720 | |
| 72 | Y | B | -0.0954 | |
| 73 | N | B | -1.2837 | |
| 74 | S | B | -1.3231 | |
| 75 | T | B | -1.7078 | |
| 76 | L | B | 0.0000 | |
| 77 | R | B | -1.8920 | |
| 78 | V | B | 0.0000 | |
| 79 | V | B | 0.0000 | |
| 80 | S | B | 0.0000 | |
| 81 | V | B | -0.8863 | |
| 82 | L | B | 0.0000 | |
| 83 | T | B | -0.5608 | |
| 84 | V | B | 0.0000 | |
| 85 | L | B | 0.6921 | |
| 86 | H | B | -0.4038 | |
| 87 | Q | B | -1.2422 | |
| 88 | D | B | -1.0008 | |
| 89 | W | B | 0.0000 | |
| 90 | L | B | -0.8354 | |
| 91 | N | B | -1.9372 | |
| 92 | G | B | -1.9601 | |
| 93 | K | B | -1.9182 | |
| 94 | E | B | -1.8272 | |
| 95 | Y | B | 0.0000 | |
| 96 | K | B | -1.5223 | |
| 97 | C | B | 0.0000 | |
| 98 | K | B | -1.4199 | |
| 99 | V | B | 0.0000 | |
| 100 | S | B | -1.3990 | |
| 101 | N | B | 0.0000 | |
| 102 | K | B | -2.5628 | |
| 103 | A | B | -1.2076 | |
| 104 | L | B | -0.6190 | |
| 105 | P | B | -0.4846 | |
| 106 | A | B | -0.3829 | |
| 107 | P | B | -0.7703 | |
| 108 | I | B | -0.5956 | |
| 109 | E | B | -1.6531 | |
| 110 | K | B | -1.1132 | |
| 111 | T | B | -0.9045 | |
| 112 | I | B | -0.2409 | |
| 113 | S | B | -1.0604 | |
| 114 | K | B | -1.1736 | |
| 115 | A | B | -1.1502 | |
| 116 | K | B | -2.3606 | |
| 117 | G | B | -1.9934 | |
| 118 | Q | B | -2.1622 | |
| 119 | P | B | -1.8491 | |
| 120 | R | B | -2.0880 | |
| 121 | E | B | -2.6258 | |
| 122 | P | B | 0.0000 | |
| 123 | Q | B | -1.1775 | |
| 124 | V | B | 0.0000 | |
| 125 | Y | B | 0.0000 | |
| 126 | T | B | -0.7200 | |
| 127 | L | B | 0.0000 | |
| 128 | P | B | -0.3138 | |
| 129 | P | B | -0.6964 | |
| 130 | S | B | -1.3216 | |
| 131 | R | B | -2.3688 | |
| 132 | D | B | -2.2649 | |
| 133 | E | B | 0.0000 | |
| 134 | L | B | -1.4249 | |
| 135 | T | B | -1.3348 | |
| 136 | K | B | -2.0251 | |
| 137 | N | B | -2.4476 | |
| 138 | Q | B | -2.3128 | |
| 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 | -0.3523 | |
| 147 | G | B | -0.9062 | |
| 148 | F | B | 0.0000 | |
| 149 | Y | B | -0.9721 | |
| 150 | P | B | 0.0000 | |
| 151 | S | B | 0.1879 | |
| 152 | D | B | -0.7096 | |
| 153 | I | B | -0.2793 | |
| 154 | A | B | -0.3535 | |
| 155 | V | B | 0.0000 | |
| 156 | E | B | -0.9695 | |
| 157 | W | B | 0.0000 | |
| 158 | E | B | -1.6743 | |
| 159 | S | B | 0.0000 | |
| 160 | N | B | -1.8491 | |
| 161 | G | B | -1.7508 | |
| 162 | Q | B | -2.2796 | |
| 163 | P | B | -1.9391 | |
| 164 | E | B | -1.8709 | |
| 165 | N | B | -2.1656 | |
| 166 | N | B | -1.6836 | |
| 167 | Y | B | -1.0381 | |
| 168 | K | B | -0.8204 | |
| 169 | T | B | -0.2998 | |
| 170 | T | B | 0.0000 | |
| 171 | P | B | 0.2074 | |
| 172 | L | B | 0.9821 | |
| 173 | V | B | 1.0125 | |
| 174 | L | B | 1.2751 | |
| 175 | D | B | -0.2515 | |
| 176 | S | B | -1.0794 | |
| 177 | D | B | -1.8327 | |
| 178 | G | B | -0.7928 | |
| 179 | S | B | 0.0000 | |
| 180 | F | B | 0.5464 | |
| 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 | -0.9829 | |
| 188 | V | B | 0.0000 | |
| 189 | D | B | -2.5266 | |
| 190 | K | B | -2.4114 | |
| 191 | S | B | -2.1411 | |
| 192 | R | B | -1.9077 | |
| 193 | W | B | 0.0000 | |
| 194 | Q | B | -2.1958 | |
| 195 | Q | B | -2.0133 | |
| 196 | G | B | -1.0724 | |
| 197 | N | B | -0.7320 | |
| 198 | V | B | 0.3186 | |
| 199 | F | B | 0.0000 | |
| 200 | S | B | -0.8867 | |
| 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 | -0.9266 | |
| 207 | A | B | -1.5327 | |
| 208 | L | B | 0.0000 | |
| 209 | H | B | -1.6960 | |
| 210 | N | B | -1.4882 | |
| 211 | A | B | -0.8084 | |
| 212 | Y | B | -0.0574 | |
| 213 | T | B | -0.5428 | |
| 214 | Q | B | -0.9612 | |
| 215 | K | B | -1.0529 | |
| 216 | S | B | -0.4963 | |
| 217 | L | B | 0.0000 | |
| 218 | S | B | 0.0385 | |
| 219 | L | B | 0.0175 | |
| 220 | S | B | -0.2788 | |
| 221 | P | B | -0.5452 | |
| 222 | G | B | -0.5294 |
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