| Chain sequence(s) |
A: DIQMTQSPSSLSASVGDRVTITCRASQSIWRWLAWYQQKPGKAPKLLIHDASQLFEGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQFDSTPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYYMSWVRQAPGKGLEWVSAISLSGGSTYYAASHKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCVREVGASTHNYYGMDVWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT 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 (00:04:43)
[INFO] Main: Simulation completed successfully. (00:04:46)
|
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 | D | A | -2.2686 | |
| 2 | I | A | 0.0000 | |
| 3 | Q | A | -2.1894 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -1.3030 | |
| 6 | Q | A | -0.9402 | |
| 7 | S | A | -0.6587 | |
| 8 | P | A | -0.5015 | |
| 9 | S | A | -0.6508 | |
| 10 | S | A | -0.6041 | |
| 11 | L | A | -0.4340 | |
| 12 | S | A | -0.8596 | |
| 13 | A | A | -0.9928 | |
| 14 | S | A | -0.8935 | |
| 15 | V | A | -0.0435 | |
| 16 | G | A | -0.8560 | |
| 17 | D | A | -1.8743 | |
| 18 | R | A | -2.3172 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.6362 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.8086 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.5510 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -1.8367 | |
| 27 | Q | A | -1.6970 | |
| 28 | S | A | -0.8716 | |
| 29 | I | A | 0.0000 | |
| 30 | W | A | -0.0212 | |
| 31 | R | A | -1.3340 | |
| 32 | W | A | -0.3316 | |
| 33 | L | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | Q | A | -1.3446 | |
| 39 | K | A | -1.9752 | |
| 40 | P | A | -1.6451 | |
| 41 | G | A | -1.8568 | |
| 42 | K | A | -2.5886 | |
| 43 | A | A | -1.6609 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -1.4284 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | H | A | 0.0000 | |
| 50 | D | A | -0.8710 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | -0.9214 | |
| 53 | Q | A | -0.9844 | |
| 54 | L | A | -0.3613 | |
| 55 | F | A | -0.8813 | |
| 56 | E | A | -1.8623 | |
| 57 | G | A | -1.1736 | |
| 58 | V | A | -0.6985 | |
| 59 | P | A | -0.5061 | |
| 60 | S | A | -0.3574 | |
| 61 | R | A | -0.7513 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -0.3924 | |
| 64 | G | A | -0.4772 | |
| 65 | S | A | -1.0347 | |
| 66 | G | A | -1.2437 | |
| 67 | S | A | -1.0978 | |
| 68 | G | A | -0.8305 | |
| 69 | T | A | -1.5348 | |
| 70 | D | A | -2.1160 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.7678 | |
| 73 | F | A | 0.0000 | |
| 74 | T | A | -0.6169 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.3654 | |
| 77 | S | A | -1.2332 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -0.9555 | |
| 80 | P | A | -1.4195 | |
| 81 | E | A | -1.5874 | |
| 82 | D | A | 0.0000 | |
| 83 | I | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | T | A | -0.6648 | |
| 86 | Y | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | Q | A | 0.0000 | |
| 90 | Q | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | D | A | -0.5003 | |
| 93 | S | A | -0.6206 | |
| 94 | T | A | -0.4446 | |
| 95 | P | A | -0.4635 | |
| 96 | L | A | 0.0000 | |
| 97 | T | A | -0.7980 | |
| 98 | F | A | -0.3566 | |
| 99 | G | A | 0.0000 | |
| 100 | G | A | -1.1329 | |
| 101 | G | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -0.9742 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -1.1192 | |
| 106 | I | A | 0.0000 | |
| 107 | K | A | -1.4433 | |
| 108 | R | A | -0.8765 | |
| 109 | T | A | -0.1443 | |
| 110 | V | A | 0.3050 | |
| 111 | A | A | 0.0014 | |
| 112 | A | A | -0.1123 | |
| 113 | P | A | 0.0000 | |
| 114 | S | A | -0.1889 | |
| 115 | V | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | P | A | -0.4953 | |
| 120 | P | A | 0.0000 | |
| 121 | S | A | -1.9211 | |
| 122 | D | A | -3.2546 | |
| 123 | E | A | -3.2653 | |
| 124 | Q | A | 0.0000 | |
| 125 | L | A | -2.4035 | |
| 126 | K | A | -2.9596 | |
| 127 | S | A | -1.8423 | |
| 128 | G | A | -1.2885 | |
| 129 | T | A | -0.9998 | |
| 130 | A | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | C | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | N | A | 0.0000 | |
| 138 | N | A | -0.7314 | |
| 139 | F | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | P | A | -1.4679 | |
| 142 | R | A | -2.3629 | |
| 143 | E | A | -2.9328 | |
| 144 | A | A | -2.1796 | |
| 145 | K | A | -2.3816 | |
| 146 | V | A | -1.0450 | |
| 147 | Q | A | -0.5976 | |
| 148 | W | A | 0.0000 | |
| 149 | K | A | -0.5717 | |
| 150 | V | A | 0.0000 | |
| 151 | D | A | -1.9453 | |
| 152 | N | A | -1.5404 | |
| 153 | A | A | -0.2677 | |
| 154 | L | A | 0.6947 | |
| 155 | Q | A | -0.3054 | |
| 156 | S | A | -0.6646 | |
| 157 | G | A | -1.2879 | |
| 158 | N | A | -1.6230 | |
| 159 | S | A | -1.3729 | |
| 160 | Q | A | -1.2274 | |
| 161 | E | A | -1.2409 | |
| 162 | S | A | -0.5899 | |
| 163 | V | A | -0.3688 | |
| 164 | T | A | -0.9193 | |
| 165 | E | A | -2.0741 | |
| 166 | Q | A | 0.0000 | |
| 167 | D | A | -1.9215 | |
| 168 | S | A | -2.1161 | |
| 169 | K | A | -2.4564 | |
| 170 | D | A | -1.7309 | |
| 171 | S | A | 0.0000 | |
| 172 | T | A | 0.0000 | |
| 173 | Y | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | T | A | -0.6166 | |
| 179 | L | A | 0.0000 | |
| 180 | T | A | -0.6080 | |
| 181 | L | A | -0.7189 | |
| 182 | S | A | -0.9113 | |
| 183 | K | A | -1.9291 | |
| 184 | A | A | -1.7009 | |
| 185 | D | A | -2.1826 | |
| 186 | Y | A | 0.0000 | |
| 187 | E | A | -3.4220 | |
| 188 | K | A | -3.5214 | |
| 189 | H | A | -2.9445 | |
| 190 | K | A | -3.2718 | |
| 191 | V | A | -1.4501 | |
| 192 | Y | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | C | A | 0.0000 | |
| 195 | E | A | -0.5682 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | -1.1920 | |
| 198 | H | A | 0.0000 | |
| 199 | Q | A | -1.6963 | |
| 200 | G | A | -0.4341 | |
| 201 | L | A | -0.2157 | |
| 202 | S | A | -0.4353 | |
| 203 | S | A | -0.3849 | |
| 204 | P | A | -0.4731 | |
| 205 | V | A | 0.2470 | |
| 206 | T | A | -0.2018 | |
| 207 | K | A | -0.4012 | |
| 208 | S | A | -0.4703 | |
| 209 | F | A | 0.0000 | |
| 210 | N | A | -1.7425 | |
| 211 | R | A | -2.3823 | |
| 212 | G | A | -1.9007 | |
| 213 | E | A | -2.0888 | |
| 214 | C | A | -1.2242 | |
| 1 | E | B | -1.6447 | |
| 2 | V | B | -0.2977 | |
| 3 | Q | B | -0.5014 | |
| 4 | L | B | 0.0000 | |
| 5 | L | B | 0.6658 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.4331 | |
| 8 | G | B | -0.7773 | |
| 9 | G | B | -0.5654 | |
| 10 | G | B | -0.2879 | |
| 11 | L | B | -0.1288 | |
| 12 | V | B | 0.0000 | |
| 13 | Q | B | -1.6855 | |
| 14 | P | B | -1.7713 | |
| 15 | G | B | -1.4745 | |
| 16 | G | B | -1.1724 | |
| 17 | S | B | -1.3391 | |
| 18 | L | B | -1.1624 | |
| 19 | R | B | -2.0694 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.4629 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.1889 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.6850 | |
| 26 | G | B | -0.8017 | |
| 27 | F | B | -0.2250 | |
| 28 | T | B | -0.1230 | |
| 29 | F | B | 0.0000 | |
| 30 | S | B | -0.2972 | |
| 31 | S | B | 0.0210 | |
| 32 | Y | B | 0.3079 | |
| 33 | Y | B | 0.4024 | |
| 34 | M | B | 0.0000 | |
| 35 | S | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.8613 | |
| 40 | A | B | -1.2388 | |
| 41 | P | B | -0.9932 | |
| 42 | G | B | -1.4511 | |
| 43 | K | B | -2.2724 | |
| 44 | G | B | -1.4191 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -1.0183 | |
| 47 | W | B | 0.0000 | |
| 48 | V | B | 0.0000 | |
| 49 | S | B | 0.0000 | |
| 50 | A | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | S | B | 0.0724 | |
| 53 | L | B | 0.2002 | |
| 54 | S | B | -0.3883 | |
| 55 | G | B | -0.5457 | |
| 56 | G | B | -0.6220 | |
| 57 | S | B | -0.2158 | |
| 58 | T | B | 0.1053 | |
| 59 | Y | B | 0.3557 | |
| 60 | Y | B | -0.1827 | |
| 61 | A | B | -0.5862 | |
| 62 | A | B | -0.7702 | |
| 63 | S | B | -0.7284 | |
| 64 | H | B | 0.0000 | |
| 65 | K | B | -1.8978 | |
| 66 | G | B | -1.4976 | |
| 67 | R | B | -1.3088 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -0.7922 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.4646 | |
| 72 | R | B | -0.9451 | |
| 73 | D | B | -1.4749 | |
| 74 | N | B | -1.5872 | |
| 75 | S | B | -1.5593 | |
| 76 | K | B | -2.3521 | |
| 77 | N | B | -1.7327 | |
| 78 | T | B | -1.0279 | |
| 79 | L | B | 0.0000 | |
| 80 | Y | B | -0.5514 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.2464 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -1.5137 | |
| 85 | S | B | -1.2947 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -2.2887 | |
| 88 | A | B | -1.7008 | |
| 89 | E | B | -2.2067 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.7616 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.1098 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | V | B | 0.0000 | |
| 98 | R | B | 0.0000 | |
| 99 | E | B | 0.0986 | |
| 100 | V | B | 0.0000 | |
| 101 | G | B | 0.0000 | |
| 102 | A | B | -0.7582 | |
| 103 | S | B | -0.5681 | |
| 104 | T | B | -0.6711 | |
| 105 | H | B | -1.2306 | |
| 106 | N | B | -1.5552 | |
| 107 | Y | B | 0.0000 | |
| 108 | Y | B | -0.2435 | |
| 109 | G | B | 0.0000 | |
| 110 | M | B | 0.0000 | |
| 111 | D | B | 0.0000 | |
| 112 | V | B | -0.0681 | |
| 113 | W | B | 0.0000 | |
| 114 | G | B | 0.0000 | |
| 115 | Q | B | -1.3365 | |
| 116 | G | B | 0.0000 | |
| 117 | T | B | -0.0659 | |
| 118 | M | B | 0.0158 | |
| 119 | V | B | 0.0000 | |
| 120 | T | B | -0.4971 | |
| 121 | V | B | 0.0000 | |
| 122 | S | B | -1.0035 | |
| 123 | S | B | -0.7489 | |
| 124 | A | B | -0.4768 | |
| 125 | S | B | -0.5869 | |
| 126 | T | B | -0.7587 | |
| 127 | K | B | -1.2275 | |
| 128 | G | B | -1.3491 | |
| 129 | P | B | 0.0000 | |
| 130 | S | B | -0.4487 | |
| 131 | V | B | 0.0000 | |
| 132 | F | B | 0.0000 | |
| 133 | P | B | -1.3542 | |
| 134 | L | B | 0.0000 | |
| 135 | A | B | -1.2931 | |
| 136 | P | B | 0.0000 | |
| 137 | S | B | -0.8285 | |
| 138 | S | B | -0.4344 | |
| 139 | K | B | -0.6888 | |
| 140 | S | B | 0.0000 | |
| 141 | T | B | -0.5938 | |
| 142 | S | B | -0.6435 | |
| 143 | G | B | -0.7931 | |
| 144 | G | B | -0.8640 | |
| 145 | T | B | -0.6016 | |
| 146 | A | B | 0.0000 | |
| 147 | A | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | G | B | 0.0000 | |
| 150 | C | B | 0.0000 | |
| 151 | L | B | 0.0000 | |
| 152 | V | B | 0.0000 | |
| 153 | K | B | 0.0000 | |
| 154 | D | B | -0.3608 | |
| 155 | Y | B | 0.0000 | |
| 156 | F | B | 0.0000 | |
| 157 | P | B | 0.0000 | |
| 158 | E | B | -0.3718 | |
| 159 | P | B | -0.5830 | |
| 160 | V | B | -0.6452 | |
| 161 | T | B | -0.5905 | |
| 162 | V | B | -0.3409 | |
| 163 | S | B | -0.3999 | |
| 164 | W | B | 0.0000 | |
| 165 | N | B | -0.7662 | |
| 166 | S | B | -0.6586 | |
| 167 | G | B | -0.4838 | |
| 168 | A | B | -0.2199 | |
| 169 | L | B | 0.0146 | |
| 170 | T | B | -0.1635 | |
| 171 | S | B | -0.1800 | |
| 172 | G | B | -0.2090 | |
| 173 | V | B | 0.1680 | |
| 174 | H | B | -0.2612 | |
| 175 | T | B | -0.1081 | |
| 176 | F | B | 0.0000 | |
| 177 | P | B | -0.2308 | |
| 178 | A | B | 0.3416 | |
| 179 | V | B | 0.6169 | |
| 180 | L | B | 1.2436 | |
| 181 | Q | B | 0.3265 | |
| 182 | S | B | -0.0496 | |
| 183 | S | B | -0.1970 | |
| 184 | G | B | 0.0598 | |
| 185 | L | B | 0.1566 | |
| 186 | Y | B | 0.5115 | |
| 187 | S | B | 0.0000 | |
| 188 | L | B | 0.0000 | |
| 189 | S | B | 0.0000 | |
| 190 | S | B | 0.0000 | |
| 191 | V | B | 0.0000 | |
| 192 | V | B | 0.0000 | |
| 193 | T | B | -0.1335 | |
| 194 | V | B | 0.0000 | |
| 195 | P | B | -0.6047 | |
| 196 | S | B | -0.5679 | |
| 197 | S | B | -0.5731 | |
| 198 | S | B | -0.5448 | |
| 199 | L | B | -0.7495 | |
| 200 | G | B | -0.9243 | |
| 201 | T | B | -0.6554 | |
| 202 | Q | B | -1.1027 | |
| 203 | T | B | -1.0776 | |
| 204 | Y | B | 0.0000 | |
| 205 | I | B | -1.3295 | |
| 206 | C | B | 0.0000 | |
| 207 | N | B | -1.4853 | |
| 208 | V | B | 0.0000 | |
| 209 | N | B | -2.0358 | |
| 210 | H | B | 0.0000 | |
| 211 | K | B | -2.7433 | |
| 212 | P | B | -1.5158 | |
| 213 | S | B | -1.8160 | |
| 214 | N | B | -2.5963 | |
| 215 | T | B | -2.0835 | |
| 216 | K | B | -2.7029 | |
| 217 | V | B | -1.5844 | |
| 218 | D | B | -2.5158 | |
| 219 | K | B | -2.1234 | |
| 220 | K | B | -2.5340 | |
| 221 | V | B | 0.0000 | |
| 222 | E | B | -2.8728 | |
| 223 | P | B | -1.8374 | |
| 224 | K | B | -2.5564 | |
| 225 | S | B | -1.8908 | |
| 226 | C | B | -1.7746 | |
| 227 | D | B | -2.8516 | |
| 228 | K | B | -2.8079 | |
| 229 | T | B | -1.9532 | |
| 230 | H | B | -1.8827 | |
| 231 | T | B | -0.8445 |
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