| Chain sequence(s) |
A: GDHVIPLYTPQCRNCKFCKSEKTNLCSLIRTTQGAGLMPDGTSRFTCNGKTVFHYMGCSTFSEYTVVAEISLAKVSKEAPLNRICLLGCGITTGFGAAINTAKVEPGSICAVWGLGAVGLAAIMGCKAAGAARIIGVDINTNKFPYAKQFGATECVNPLDYKDKPFQQVIIDMTDGGCDFTFECVGNVETMRCALEACHKGWGVSVIIGVAGAGKEISTRPFQLITRVWGTAFGGFKSRDSVPKL
B: GDHVIPLYTPQCRNCKFCKSEKTNLCSLIRTTQGAGLMPDGTSRFTCNGKTVFHYMGCSTFSEYTVVAEISLAKVSKEAPLNRICLLGCGITTGFGAAINTAKVEPGSICAVWGLGAVGLAAIMGCKAAGAARIIGVDINTNKFPYAKQFGATECVNPLDYKDKPFQQVIIDMTDGGCDFTFECVGNVETMRCALEACHKGWGVSVIIGVAGAGKEISTRPFQLITRVWGTAFGGFKSRDSVPKL 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 (00:06:01)
[INFO] Main: Simulation completed successfully. (00:06:04)
|
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 | |
| 6 | G | A | -1.4494 | |
| 7 | D | A | -2.5223 | |
| 8 | H | A | -2.0486 | |
| 9 | V | A | -0.7405 | |
| 10 | I | A | 0.0000 | |
| 11 | P | A | 0.1239 | |
| 12 | L | A | 0.0000 | |
| 13 | Y | A | 0.5214 | |
| 14 | T | A | 0.0000 | |
| 15 | P | A | 0.0000 | |
| 16 | Q | A | 0.0000 | |
| 17 | C | A | 0.0000 | |
| 18 | R | A | -2.9403 | |
| 19 | N | A | -2.5072 | |
| 20 | C | A | -1.4485 | |
| 21 | K | A | -1.8906 | |
| 22 | F | A | 0.0000 | |
| 23 | C | A | 0.0000 | |
| 24 | K | A | -3.3256 | |
| 25 | S | A | -2.5427 | |
| 26 | E | A | -2.8798 | |
| 27 | K | A | -2.1547 | |
| 28 | T | A | 0.0000 | |
| 29 | N | A | 0.0000 | |
| 30 | L | A | -0.1986 | |
| 31 | C | A | 0.0000 | |
| 32 | S | A | -0.0901 | |
| 33 | L | A | 0.5588 | |
| 34 | I | A | 0.0000 | |
| 35 | R | A | -1.5336 | |
| 36 | T | A | -0.9348 | |
| 37 | T | A | -0.9325 | |
| 38 | Q | A | -0.2233 | |
| 39 | G | A | -0.6805 | |
| 40 | A | A | 0.1147 | |
| 41 | G | A | 0.0000 | |
| 42 | L | A | 0.1824 | |
| 43 | M | A | 0.0000 | |
| 44 | P | A | -1.1362 | |
| 45 | D | A | -1.9715 | |
| 46 | G | A | -1.1420 | |
| 47 | T | A | -0.5913 | |
| 48 | S | A | 0.0748 | |
| 49 | R | A | -0.2276 | |
| 50 | F | A | 0.5450 | |
| 51 | T | A | -0.3613 | |
| 52 | C | A | -0.5603 | |
| 53 | N | A | -1.7049 | |
| 54 | G | A | -1.6813 | |
| 55 | K | A | -1.7798 | |
| 56 | T | A | -0.4162 | |
| 57 | V | A | 1.0656 | |
| 58 | F | A | 2.3191 | |
| 59 | H | A | 0.0000 | |
| 60 | Y | A | 2.2550 | |
| 61 | M | A | 1.0756 | |
| 62 | G | A | 0.0000 | |
| 63 | C | A | 1.1219 | |
| 64 | S | A | 0.0000 | |
| 65 | T | A | 1.1917 | |
| 66 | F | A | 1.7783 | |
| 67 | S | A | 0.4372 | |
| 68 | E | A | -0.8691 | |
| 69 | Y | A | 0.8809 | |
| 70 | T | A | 0.8881 | |
| 71 | V | A | 0.9543 | |
| 72 | V | A | 0.2949 | |
| 73 | A | A | 0.0000 | |
| 74 | E | A | -1.4541 | |
| 75 | I | A | -0.6895 | |
| 76 | S | A | 0.0000 | |
| 77 | L | A | -0.5933 | |
| 78 | A | A | 0.0000 | |
| 79 | K | A | -2.2569 | |
| 80 | V | A | -1.8889 | |
| 81 | S | A | -2.1946 | |
| 82 | K | A | -3.1641 | |
| 83 | E | A | -2.6448 | |
| 84 | A | A | -1.6058 | |
| 85 | P | A | -1.2631 | |
| 86 | L | A | -0.4526 | |
| 87 | N | A | -1.3563 | |
| 88 | R | A | -1.4848 | |
| 89 | I | A | 0.3477 | |
| 90 | C | A | 1.0391 | |
| 91 | L | A | 1.6136 | |
| 92 | L | A | 1.3364 | |
| 93 | G | A | 1.1415 | |
| 94 | C | A | 1.2479 | |
| 95 | G | A | 1.0733 | |
| 96 | I | A | 1.4338 | |
| 97 | T | A | 0.0000 | |
| 98 | T | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | F | A | 0.6010 | |
| 101 | G | A | 0.0000 | |
| 102 | A | A | 0.0000 | |
| 103 | A | A | 0.0000 | |
| 104 | I | A | -0.4327 | |
| 105 | N | A | -0.7571 | |
| 106 | T | A | 0.0000 | |
| 107 | A | A | 0.0000 | |
| 108 | K | A | -1.9202 | |
| 109 | V | A | 0.0000 | |
| 110 | E | A | -1.7555 | |
| 111 | P | A | -1.4419 | |
| 112 | G | A | -1.0551 | |
| 113 | S | A | 0.0000 | |
| 114 | I | A | -0.0451 | |
| 115 | C | A | 0.0000 | |
| 116 | A | A | 0.0000 | |
| 117 | V | A | 0.0000 | |
| 118 | W | A | 0.0000 | |
| 119 | G | A | 0.0000 | |
| 120 | L | A | 0.0000 | |
| 121 | G | A | 0.2419 | |
| 122 | A | A | 0.5256 | |
| 123 | V | A | 0.8638 | |
| 124 | G | A | 0.0000 | |
| 125 | L | A | 0.4400 | |
| 126 | A | A | 0.0000 | |
| 127 | A | A | 0.0000 | |
| 128 | I | A | 0.0000 | |
| 129 | M | A | -0.0188 | |
| 130 | G | A | 0.0000 | |
| 131 | C | A | 0.0000 | |
| 132 | K | A | -1.6632 | |
| 133 | A | A | -0.7160 | |
| 134 | A | A | -1.1760 | |
| 135 | G | A | -1.2928 | |
| 136 | A | A | -1.1335 | |
| 137 | A | A | -0.6982 | |
| 138 | R | A | -0.6694 | |
| 139 | I | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | G | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | D | A | 0.5175 | |
| 144 | I | A | 1.2687 | |
| 145 | N | A | -0.3333 | |
| 146 | T | A | -0.7471 | |
| 147 | N | A | -1.3459 | |
| 148 | K | A | -0.9243 | |
| 149 | F | A | -0.7772 | |
| 150 | P | A | -0.6874 | |
| 151 | Y | A | 0.1733 | |
| 152 | A | A | 0.0000 | |
| 153 | K | A | -1.8167 | |
| 154 | Q | A | -1.1718 | |
| 155 | F | A | -0.2503 | |
| 156 | G | A | -1.0574 | |
| 157 | A | A | 0.0000 | |
| 158 | T | A | -0.9694 | |
| 159 | E | A | -1.0492 | |
| 160 | C | A | -0.6267 | |
| 161 | V | A | 0.0000 | |
| 162 | N | A | 0.1456 | |
| 163 | P | A | -0.0310 | |
| 164 | L | A | 0.1308 | |
| 165 | D | A | -1.5184 | |
| 166 | Y | A | -1.7780 | |
| 167 | K | A | -2.8668 | |
| 168 | D | A | -3.1816 | |
| 169 | K | A | -2.8137 | |
| 170 | P | A | -1.4715 | |
| 171 | F | A | 0.0000 | |
| 172 | Q | A | -0.8363 | |
| 173 | Q | A | -1.2202 | |
| 174 | V | A | 0.0000 | |
| 175 | I | A | 0.0000 | |
| 176 | I | A | -1.1224 | |
| 177 | D | A | -2.0943 | |
| 178 | M | A | -1.0094 | |
| 179 | T | A | 0.0000 | |
| 180 | D | A | -2.1341 | |
| 181 | G | A | -1.4700 | |
| 182 | G | A | 0.0000 | |
| 183 | C | A | 0.0000 | |
| 184 | D | A | -0.4500 | |
| 185 | F | A | 0.0000 | |
| 186 | T | A | 0.0000 | |
| 187 | F | A | 0.0000 | |
| 188 | E | A | 0.0000 | |
| 189 | C | A | 0.9755 | |
| 190 | V | A | 1.5550 | |
| 191 | G | A | 0.6241 | |
| 192 | N | A | -0.6730 | |
| 193 | V | A | -1.3578 | |
| 194 | E | A | -2.2572 | |
| 195 | T | A | 0.0000 | |
| 196 | M | A | 0.0000 | |
| 197 | R | A | -1.2387 | |
| 198 | C | A | -0.8506 | |
| 199 | A | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | E | A | -0.6410 | |
| 202 | A | A | 0.0000 | |
| 203 | C | A | 0.0000 | |
| 204 | H | A | 0.0000 | |
| 205 | K | A | -0.9377 | |
| 206 | G | A | 0.0000 | |
| 207 | W | A | 0.0000 | |
| 208 | G | A | 0.0000 | |
| 209 | V | A | 0.0000 | |
| 210 | S | A | 0.0000 | |
| 211 | V | A | 0.0000 | |
| 212 | I | A | 0.0000 | |
| 213 | I | A | 0.0000 | |
| 214 | G | A | 1.4049 | |
| 215 | V | A | 2.0654 | |
| 216 | A | A | 0.0000 | |
| 217 | G | A | -0.7230 | |
| 218 | A | A | -0.8172 | |
| 219 | G | A | -1.6915 | |
| 220 | K | A | -2.7807 | |
| 221 | E | A | -2.3715 | |
| 222 | I | A | -1.3249 | |
| 223 | S | A | -1.2923 | |
| 224 | T | A | 0.0000 | |
| 225 | R | A | -1.2973 | |
| 226 | P | A | 0.0000 | |
| 227 | F | A | 1.5778 | |
| 228 | Q | A | 0.3582 | |
| 229 | L | A | 0.1984 | |
| 230 | I | A | 0.0000 | |
| 231 | T | A | -0.5585 | |
| 232 | R | A | -0.3084 | |
| 233 | V | A | 0.0000 | |
| 234 | W | A | 0.2576 | |
| 235 | G | A | 0.0000 | |
| 236 | T | A | 0.4231 | |
| 237 | A | A | 0.4851 | |
| 238 | F | A | 0.0000 | |
| 239 | G | A | 0.0000 | |
| 240 | G | A | -0.4845 | |
| 241 | F | A | 0.0000 | |
| 242 | K | A | -1.2602 | |
| 243 | S | A | 0.0000 | |
| 244 | R | A | -1.5890 | |
| 245 | D | A | -1.7259 | |
| 246 | S | A | -1.0539 | |
| 247 | V | A | 0.0000 | |
| 248 | P | A | -1.2636 | |
| 249 | K | A | -1.5785 | |
| 250 | L | A | -0.0272 | |
| 6 | G | B | -1.2695 | |
| 7 | D | B | -2.1646 | |
| 8 | H | B | -1.8611 | |
| 9 | V | B | -0.6653 | |
| 10 | I | B | 0.0000 | |
| 11 | P | B | 0.1268 | |
| 12 | L | B | 0.0000 | |
| 13 | Y | B | 0.7552 | |
| 14 | T | B | 0.2363 | |
| 15 | P | B | 0.0000 | |
| 16 | Q | B | 0.0000 | |
| 17 | C | B | -1.3344 | |
| 18 | R | B | -2.9401 | |
| 19 | N | B | -2.5454 | |
| 20 | C | B | -1.5536 | |
| 21 | K | B | -1.9027 | |
| 22 | F | B | -1.7770 | |
| 23 | C | B | 0.0000 | |
| 24 | K | B | -3.3796 | |
| 25 | S | B | -2.5776 | |
| 26 | E | B | -2.7803 | |
| 27 | K | B | -2.1290 | |
| 28 | T | B | 0.0000 | |
| 29 | N | B | -1.0183 | |
| 30 | L | B | -0.0980 | |
| 31 | C | B | 0.0000 | |
| 32 | S | B | 0.1705 | |
| 33 | L | B | 0.8213 | |
| 34 | I | B | 0.0000 | |
| 35 | R | B | -0.4003 | |
| 36 | T | B | -0.4019 | |
| 37 | T | B | -0.5754 | |
| 38 | Q | B | 0.2338 | |
| 39 | G | B | -0.3497 | |
| 40 | A | B | 0.2894 | |
| 41 | G | B | 0.0000 | |
| 42 | L | B | 0.3069 | |
| 43 | M | B | 0.0000 | |
| 44 | P | B | -0.9636 | |
| 45 | D | B | -1.9601 | |
| 46 | G | B | -1.1193 | |
| 47 | T | B | -0.6018 | |
| 48 | S | B | 0.0594 | |
| 49 | R | B | -0.2773 | |
| 50 | F | B | 0.5521 | |
| 51 | T | B | -0.3163 | |
| 52 | C | B | -0.4575 | |
| 53 | N | B | -1.6438 | |
| 54 | G | B | -1.6440 | |
| 55 | K | B | -1.7235 | |
| 56 | T | B | -0.3403 | |
| 57 | V | B | 1.1753 | |
| 58 | F | B | 2.3107 | |
| 59 | H | B | 0.0000 | |
| 60 | Y | B | 2.2812 | |
| 61 | M | B | 1.0745 | |
| 62 | G | B | 0.0000 | |
| 63 | C | B | 0.0000 | |
| 64 | S | B | 0.0000 | |
| 65 | T | B | 1.1815 | |
| 66 | F | B | 1.7620 | |
| 67 | S | B | 0.4274 | |
| 68 | E | B | -0.8723 | |
| 69 | Y | B | 0.8927 | |
| 70 | T | B | 0.8904 | |
| 71 | V | B | 0.9929 | |
| 72 | V | B | 0.3230 | |
| 73 | A | B | 0.0000 | |
| 74 | E | B | -1.4228 | |
| 75 | I | B | -0.6501 | |
| 76 | S | B | 0.0000 | |
| 77 | L | B | -0.5861 | |
| 78 | A | B | 0.0000 | |
| 79 | K | B | -2.1939 | |
| 80 | V | B | -1.8900 | |
| 81 | S | B | -2.2483 | |
| 82 | K | B | -3.0951 | |
| 83 | E | B | -2.6441 | |
| 84 | A | B | -1.6602 | |
| 85 | P | B | -1.3658 | |
| 86 | L | B | -0.4056 | |
| 87 | N | B | -1.4079 | |
| 88 | R | B | -1.6777 | |
| 89 | I | B | 0.0000 | |
| 90 | C | B | 0.7543 | |
| 91 | L | B | 1.1088 | |
| 92 | L | B | 1.1057 | |
| 93 | G | B | 0.9324 | |
| 94 | C | B | 1.2639 | |
| 95 | G | B | 0.0000 | |
| 96 | I | B | 1.3299 | |
| 97 | T | B | 0.0000 | |
| 98 | T | B | 0.0000 | |
| 99 | G | B | 0.0000 | |
| 100 | F | B | 0.7270 | |
| 101 | G | B | 0.0000 | |
| 102 | A | B | 0.0000 | |
| 103 | A | B | 0.0000 | |
| 104 | I | B | -0.2317 | |
| 105 | N | B | -0.6364 | |
| 106 | T | B | -0.5926 | |
| 107 | A | B | -0.8422 | |
| 108 | K | B | -1.8117 | |
| 109 | V | B | 0.0000 | |
| 110 | E | B | -1.4832 | |
| 111 | P | B | -1.2846 | |
| 112 | G | B | -0.9997 | |
| 113 | S | B | 0.0000 | |
| 114 | I | B | -0.0853 | |
| 115 | C | B | 0.0000 | |
| 116 | A | B | 0.0000 | |
| 117 | V | B | 0.0000 | |
| 118 | W | B | 0.0000 | |
| 119 | G | B | 0.0000 | |
| 120 | L | B | 0.0000 | |
| 121 | G | B | 0.2128 | |
| 122 | A | B | 0.5134 | |
| 123 | V | B | 0.9595 | |
| 124 | G | B | 0.0000 | |
| 125 | L | B | 0.5874 | |
| 126 | A | B | 0.0000 | |
| 127 | A | B | 0.0000 | |
| 128 | I | B | 0.0000 | |
| 129 | M | B | 0.3091 | |
| 130 | G | B | 0.0000 | |
| 131 | C | B | 0.0000 | |
| 132 | K | B | -1.2244 | |
| 133 | A | B | -0.5000 | |
| 134 | A | B | -0.9384 | |
| 135 | G | B | -1.1053 | |
| 136 | A | B | 0.0000 | |
| 137 | A | B | -0.6330 | |
| 138 | R | B | -0.6667 | |
| 139 | I | B | 0.0000 | |
| 140 | I | B | 0.0000 | |
| 141 | G | B | 0.0000 | |
| 142 | V | B | 0.0000 | |
| 143 | D | B | 0.0000 | |
| 144 | I | B | 0.5026 | |
| 145 | N | B | -0.7161 | |
| 146 | T | B | -0.7728 | |
| 147 | N | B | -1.3882 | |
| 148 | K | B | -0.9038 | |
| 149 | F | B | -0.6687 | |
| 150 | P | B | -0.5542 | |
| 151 | Y | B | 0.3118 | |
| 152 | A | B | 0.0000 | |
| 153 | K | B | -1.6354 | |
| 154 | Q | B | -0.9372 | |
| 155 | F | B | 0.2948 | |
| 156 | G | B | -0.6941 | |
| 157 | A | B | 0.0000 | |
| 158 | T | B | -1.0268 | |
| 159 | E | B | -0.9887 | |
| 160 | C | B | -0.5722 | |
| 161 | V | B | 0.0000 | |
| 162 | N | B | -0.1109 | |
| 163 | P | B | -0.1821 | |
| 164 | L | B | -0.1753 | |
| 165 | D | B | -1.6121 | |
| 166 | Y | B | -1.5632 | |
| 167 | K | B | -2.7702 | |
| 168 | D | B | -3.0626 | |
| 169 | K | B | -2.6004 | |
| 170 | P | B | -1.3030 | |
| 171 | F | B | -0.9051 | |
| 172 | Q | B | -0.7532 | |
| 173 | Q | B | -1.2156 | |
| 174 | V | B | 0.0000 | |
| 175 | I | B | 0.0000 | |
| 176 | I | B | -1.1965 | |
| 177 | D | B | -2.1529 | |
| 178 | M | B | -1.0461 | |
| 179 | T | B | 0.0000 | |
| 180 | D | B | -2.1675 | |
| 181 | G | B | -1.4684 | |
| 182 | G | B | 0.0000 | |
| 183 | C | B | 0.0000 | |
| 184 | D | B | -0.3568 | |
| 185 | F | B | 0.0000 | |
| 186 | T | B | 0.0000 | |
| 187 | F | B | 0.0000 | |
| 188 | E | B | 0.0000 | |
| 189 | C | B | 0.0000 | |
| 190 | V | B | 1.4447 | |
| 191 | G | B | 0.5280 | |
| 192 | N | B | -0.7968 | |
| 193 | V | B | -1.4092 | |
| 194 | E | B | -2.2724 | |
| 195 | T | B | -0.9119 | |
| 196 | M | B | 0.0000 | |
| 197 | R | B | -1.0912 | |
| 198 | C | B | -0.7312 | |
| 199 | A | B | 0.0000 | |
| 200 | L | B | 0.0000 | |
| 201 | E | B | -0.4898 | |
| 202 | A | B | 0.0000 | |
| 203 | C | B | 0.0000 | |
| 204 | H | B | 0.0000 | |
| 205 | K | B | -0.6579 | |
| 206 | G | B | 0.0000 | |
| 207 | W | B | -0.5083 | |
| 208 | G | B | 0.0000 | |
| 209 | V | B | 0.1561 | |
| 210 | S | B | 0.0000 | |
| 211 | V | B | 0.0000 | |
| 212 | I | B | 0.0000 | |
| 213 | I | B | 0.0000 | |
| 214 | G | B | 0.0000 | |
| 215 | V | B | 2.2752 | |
| 216 | A | B | 0.3939 | |
| 217 | G | B | -0.6016 | |
| 218 | A | B | -0.6077 | |
| 219 | G | B | -1.4747 | |
| 220 | K | B | -2.5147 | |
| 221 | E | B | -2.2344 | |
| 222 | I | B | 0.0000 | |
| 223 | S | B | -1.1374 | |
| 224 | T | B | 0.0000 | |
| 225 | R | B | -1.7023 | |
| 226 | P | B | 0.0000 | |
| 227 | F | B | 0.4884 | |
| 228 | Q | B | -0.0283 | |
| 229 | L | B | 0.0000 | |
| 230 | I | B | 0.9441 | |
| 231 | T | B | 0.0000 | |
| 232 | R | B | 0.0503 | |
| 233 | V | B | 0.1708 | |
| 234 | W | B | 0.0000 | |
| 235 | G | B | 0.1551 | |
| 236 | T | B | 0.0000 | |
| 237 | A | B | 0.0000 | |
| 238 | F | B | 0.8823 | |
| 239 | G | B | 0.0000 | |
| 240 | G | B | -0.3046 | |
| 241 | F | B | -0.2186 | |
| 242 | K | B | -1.1852 | |
| 243 | S | B | 0.0000 | |
| 244 | R | B | -1.6078 | |
| 245 | D | B | -1.6890 | |
| 246 | S | B | -1.0296 | |
| 247 | V | B | 0.0000 | |
| 248 | P | B | -1.3167 | |
| 249 | K | B | -1.6412 | |
| 250 | L | B | -0.1341 |
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