| Chain sequence(s) |
A: VSADALHIRFPDGAVIEYEPETSALTVSGIKTASVTASGSVTATVPVVMVKASTRVTLDTPEVVCTNRLITGTLEVQKGGTMRGNIEHTGGELSSNGKVLHTHKHPGDSGGTTGSPL
C: VSADALHIRFPDGAVIEYEPETSALTVSGIKTASVTASGSVTATVPVVMVKASTRVTLDTPEVVCTNRLITGTLEVQKGGTMRGNIEHTGGELSSNGKVLHTHKHPGDSGGTTGSPL B: DALHIRFPDGAVIEYEPETSALTVSGIKTASVTASGSVTATVPVVMVKASTRVTLDTPEVVCTNRLITGTLEVQKGGTMRGNIEHTGGELSSNGKVLHTHKHPGDSGGTTGSPL Q: SADALHIRFPDGAVIEYEPETSALTVSGIKTASVTASGSVTATVPVVMVKASTRVTLDTPEVVCTNRLITGTLEVQKGGTMRGNIEHTGGELSSNGKVLHTHKHPGDSGGTTGSPL P: DALHIRFPDGAVIEYEPETSALTVSGIKTASVTASGSVTATVPVVMVKASTRVTLDTPEVVCTNRLITGTLEVQKGGTMRGNIEHTGGELSSNGKVLHTHKHPGDSGGTTGSPL R: VSADALHIRFPDGAVIEYEPETSALTVSGIKTASVTASGSVTATVPVVMVKASTRVTLDTPEVVCTNRLITGTLEVQKGGTMRGNIEHTGGELSSNGKVLHTHKHPGDSGGTTGSPL input PDB |
| Selected Chain(s) | A,C,B,Q,P,R |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | SA111A,VA65A,LA75A,GA96A,PA133A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 11.2942 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] FoldX: Building mutant model (00:03:19)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:03:50)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2073b3eefda62a9/tmp/folded.pdb (00:03:50)
[INFO] Main: Simulation completed successfully. (00:06:53)
|
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 |
|---|---|---|---|---|
| 18 | V | A | 1.1933 | |
| 19 | S | A | -0.4129 | |
| 20 | A | A | -0.9642 | |
| 21 | D | A | -2.2676 | |
| 22 | A | A | -1.4247 | |
| 23 | L | A | -0.5892 | |
| 24 | H | A | -0.5162 | |
| 25 | I | A | -0.2515 | |
| 26 | R | A | -1.5941 | |
| 27 | F | A | 0.0000 | |
| 28 | P | A | -1.8857 | |
| 29 | D | A | -2.1428 | |
| 30 | G | A | -1.2773 | |
| 31 | A | A | 0.0000 | |
| 32 | V | A | -0.5191 | |
| 33 | I | A | -0.1900 | |
| 34 | E | A | -0.3889 | |
| 35 | Y | A | 0.0000 | |
| 36 | E | A | -1.0088 | |
| 37 | P | A | 0.0000 | |
| 38 | E | A | -0.7934 | |
| 39 | T | A | -0.4057 | |
| 40 | S | A | 0.0000 | |
| 41 | A | A | -0.2467 | |
| 42 | L | A | 0.0052 | |
| 43 | T | A | -0.0021 | |
| 44 | V | A | 0.0000 | |
| 45 | S | A | -0.5016 | |
| 46 | G | A | -1.1043 | |
| 47 | I | A | 0.0000 | |
| 48 | K | A | -1.7892 | |
| 49 | T | A | -0.7288 | |
| 50 | A | A | 0.0000 | |
| 51 | S | A | 0.2434 | |
| 52 | V | A | 0.3653 | |
| 53 | T | A | -0.3374 | |
| 54 | A | A | -0.5368 | |
| 55 | S | A | -0.7755 | |
| 56 | G | A | -0.5233 | |
| 57 | S | A | -0.0957 | |
| 58 | V | A | 0.4454 | |
| 59 | T | A | 0.2619 | |
| 60 | A | A | 0.1258 | |
| 61 | T | A | -0.3222 | |
| 62 | V | A | 0.0000 | |
| 63 | P | A | -0.2300 | |
| 64 | V | A | 0.1672 | |
| 65 | A | A | 0.1445 | mutated: VA65A |
| 66 | M | A | 0.1322 | |
| 67 | V | A | -0.0963 | |
| 68 | K | A | -0.9691 | |
| 69 | A | A | 0.0000 | |
| 70 | S | A | -0.6606 | |
| 71 | T | A | -0.5658 | |
| 72 | R | A | -0.8049 | |
| 73 | V | A | 0.0000 | |
| 74 | T | A | 0.0000 | |
| 75 | A | A | 0.0000 | mutated: LA75A |
| 76 | D | A | -1.2060 | |
| 77 | T | A | 0.0000 | |
| 78 | P | A | -1.2763 | |
| 79 | E | A | -1.1956 | |
| 80 | V | A | 0.0000 | |
| 81 | V | A | -0.2988 | |
| 82 | C | A | 0.0000 | |
| 83 | T | A | -0.8336 | |
| 84 | N | A | -1.5456 | |
| 85 | R | A | -1.7150 | |
| 86 | L | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | T | A | 0.0000 | |
| 89 | G | A | -1.4947 | |
| 90 | T | A | -1.5371 | |
| 91 | L | A | 0.0000 | |
| 92 | E | A | -1.1034 | |
| 93 | V | A | 0.0000 | |
| 94 | Q | A | -2.5141 | |
| 95 | K | A | -3.0887 | |
| 96 | A | A | -2.6804 | mutated: GA96A |
| 97 | G | A | -1.8867 | |
| 98 | T | A | -1.6437 | |
| 99 | M | A | 0.0000 | |
| 100 | R | A | -3.0448 | |
| 101 | G | A | -2.5484 | |
| 102 | N | A | -2.5604 | |
| 103 | I | A | 0.0000 | |
| 104 | E | A | -1.9980 | |
| 105 | H | A | 0.0000 | |
| 106 | T | A | -1.4321 | |
| 107 | G | A | -1.5444 | |
| 108 | G | A | -1.7019 | |
| 109 | E | A | -2.1740 | |
| 110 | L | A | 0.0000 | |
| 111 | A | A | -1.5562 | mutated: SA111A |
| 112 | S | A | 0.0000 | |
| 113 | N | A | -1.5931 | |
| 114 | G | A | -1.0238 | |
| 115 | K | A | -0.8348 | |
| 116 | V | A | -0.7232 | |
| 117 | L | A | 0.0000 | |
| 118 | H | A | -0.6356 | |
| 119 | T | A | -0.4282 | |
| 120 | H | A | 0.0000 | |
| 121 | K | A | -0.5732 | |
| 122 | H | A | 0.0000 | |
| 123 | P | A | -0.5312 | |
| 124 | G | A | -1.1840 | |
| 125 | D | A | -1.2309 | |
| 126 | S | A | -1.0969 | |
| 127 | G | A | -0.9501 | |
| 128 | G | A | -0.8561 | |
| 129 | T | A | -0.6177 | |
| 130 | T | A | 0.0000 | |
| 131 | G | A | -0.3856 | |
| 132 | S | A | -0.1977 | |
| 133 | A | A | 0.0000 | mutated: PA133A |
| 134 | L | A | 1.1860 | |
| 21 | D | B | -2.5154 | |
| 22 | A | B | -1.6671 | |
| 23 | L | B | -0.2860 | |
| 24 | H | B | -0.7187 | |
| 25 | I | B | -0.3520 | |
| 26 | R | B | -1.8095 | |
| 27 | F | B | 0.0000 | |
| 28 | P | B | -1.7962 | |
| 29 | D | B | -1.9728 | |
| 30 | G | B | -1.3305 | |
| 31 | A | B | 0.0000 | |
| 32 | V | B | -0.7023 | |
| 33 | I | B | -0.2875 | |
| 34 | E | B | -0.7649 | |
| 35 | Y | B | 0.0000 | |
| 36 | E | B | -2.0311 | |
| 37 | P | B | 0.0000 | |
| 38 | E | B | -2.5576 | |
| 39 | T | B | -1.5142 | |
| 40 | S | B | -1.6244 | |
| 41 | A | B | -0.9280 | |
| 42 | L | B | -0.1731 | |
| 43 | T | B | -0.1121 | |
| 44 | V | B | 0.0000 | |
| 45 | S | B | -0.4241 | |
| 46 | G | B | -0.8612 | |
| 47 | I | B | 0.0000 | |
| 48 | K | B | -0.4802 | |
| 49 | T | B | -0.0614 | |
| 50 | A | B | 0.0000 | |
| 51 | S | B | 0.3192 | |
| 52 | V | B | 0.4353 | |
| 53 | T | B | -0.3347 | |
| 54 | A | B | 0.0000 | |
| 55 | S | B | -0.8980 | |
| 56 | G | B | -0.7068 | |
| 57 | S | B | -0.2614 | |
| 58 | V | B | 0.2491 | |
| 59 | T | B | 0.1902 | |
| 60 | A | B | 0.1419 | |
| 61 | T | B | -0.2670 | |
| 62 | V | B | 0.0000 | |
| 63 | P | B | -0.2704 | |
| 64 | V | B | 0.2215 | |
| 65 | V | B | 0.3511 | |
| 66 | M | B | 0.1455 | |
| 67 | V | B | -0.2170 | |
| 68 | K | B | -1.1659 | |
| 69 | A | B | 0.0000 | |
| 70 | S | B | -0.5876 | |
| 71 | T | B | 0.0000 | |
| 72 | R | B | -0.4516 | |
| 73 | V | B | 0.0000 | |
| 74 | T | B | -0.1089 | |
| 75 | L | B | 0.0000 | |
| 76 | D | B | -1.3110 | |
| 77 | T | B | 0.0000 | |
| 78 | P | B | -1.2414 | |
| 79 | E | B | -1.1337 | |
| 80 | V | B | 0.0000 | |
| 81 | V | B | -0.1858 | |
| 82 | C | B | 0.0000 | |
| 83 | T | B | -0.9866 | |
| 84 | N | B | -1.7999 | |
| 85 | R | B | -1.9525 | |
| 86 | L | B | 0.0000 | |
| 87 | I | B | -0.5253 | |
| 88 | T | B | 0.0000 | |
| 89 | G | B | 0.0000 | |
| 90 | T | B | -1.7384 | |
| 91 | L | B | 0.0000 | |
| 92 | E | B | -1.1836 | |
| 93 | V | B | 0.0000 | |
| 94 | Q | B | -1.9053 | |
| 95 | K | B | -2.5517 | |
| 96 | G | B | 0.0000 | |
| 97 | G | B | -1.4297 | |
| 98 | T | B | -1.3210 | |
| 99 | M | B | 0.0000 | |
| 100 | R | B | -2.6747 | |
| 101 | G | B | -2.6701 | |
| 102 | N | B | -3.0022 | |
| 103 | I | B | 0.0000 | |
| 104 | E | B | -2.8287 | |
| 105 | H | B | 0.0000 | |
| 106 | T | B | -1.8317 | |
| 107 | G | B | -1.8367 | |
| 108 | G | B | -1.9299 | |
| 109 | E | B | -2.2798 | |
| 110 | L | B | 0.0000 | |
| 111 | S | B | -1.2871 | |
| 112 | S | B | 0.0000 | |
| 113 | N | B | -1.3519 | |
| 114 | G | B | -0.8460 | |
| 115 | K | B | -0.7389 | |
| 116 | V | B | -0.6513 | |
| 117 | L | B | 0.0000 | |
| 118 | H | B | -0.6704 | |
| 119 | T | B | -0.4458 | |
| 120 | H | B | 0.0000 | |
| 121 | K | B | -0.4984 | |
| 122 | H | B | 0.0000 | |
| 123 | P | B | -0.4580 | |
| 124 | G | B | -1.1708 | |
| 125 | D | B | -1.2175 | |
| 126 | S | B | -1.0931 | |
| 127 | G | B | -0.9601 | |
| 128 | G | B | -0.8863 | |
| 129 | T | B | -0.6182 | |
| 130 | T | B | 0.0000 | |
| 131 | G | B | -0.4677 | |
| 132 | S | B | -0.2480 | |
| 133 | P | B | 0.0000 | |
| 134 | L | B | 1.0967 | |
| 18 | V | C | 1.2124 | |
| 19 | S | C | -0.3737 | |
| 20 | A | C | -0.9219 | |
| 21 | D | C | -2.4325 | |
| 22 | A | C | -1.7417 | |
| 23 | L | C | -0.8263 | |
| 24 | H | C | -1.2027 | |
| 25 | I | C | -0.8497 | |
| 26 | R | C | -2.3116 | |
| 27 | F | C | 0.0000 | |
| 28 | P | C | -1.9702 | |
| 29 | D | C | -2.1589 | |
| 30 | G | C | -1.4872 | |
| 31 | A | C | 0.0000 | |
| 32 | V | C | -0.9598 | |
| 33 | I | C | -0.3142 | |
| 34 | E | C | -0.7769 | |
| 35 | Y | C | 0.0000 | |
| 36 | E | C | -1.8624 | |
| 37 | P | C | -2.1353 | |
| 38 | E | C | -2.4490 | |
| 39 | T | C | -1.5305 | |
| 40 | S | C | -1.6819 | |
| 41 | A | C | -0.9777 | |
| 42 | L | C | -0.3165 | |
| 43 | T | C | -0.1197 | |
| 44 | V | C | 0.0000 | |
| 45 | S | C | -0.6186 | |
| 46 | G | C | -1.1895 | |
| 47 | I | C | 0.0000 | |
| 48 | K | C | -1.4269 | |
| 49 | T | C | -0.5676 | |
| 50 | A | C | 0.0000 | |
| 51 | S | C | 0.2695 | |
| 52 | V | C | 0.3873 | |
| 53 | T | C | -0.1654 | |
| 54 | A | C | -0.1369 | |
| 55 | S | C | -0.3771 | |
| 56 | G | C | -0.2188 | |
| 57 | S | C | 0.1150 | |
| 58 | V | C | 0.5262 | |
| 59 | T | C | 0.2834 | |
| 60 | A | C | 0.2105 | |
| 61 | T | C | -0.2233 | |
| 62 | V | C | 0.0000 | |
| 63 | P | C | -0.2614 | |
| 64 | V | C | 0.1198 | |
| 65 | V | C | 0.0000 | |
| 66 | M | C | 0.0703 | |
| 67 | V | C | -0.1699 | |
| 68 | K | C | -1.0820 | |
| 69 | A | C | 0.0000 | |
| 70 | S | C | -0.7095 | |
| 71 | T | C | -0.5608 | |
| 72 | R | C | -0.9927 | |
| 73 | V | C | 0.0000 | |
| 74 | T | C | -0.1860 | |
| 75 | L | C | 0.0000 | |
| 76 | D | C | -1.1298 | |
| 77 | T | C | 0.0000 | |
| 78 | P | C | -0.9202 | |
| 79 | E | C | 0.0000 | |
| 80 | V | C | 0.0000 | |
| 81 | V | C | -0.2222 | |
| 82 | C | C | 0.0000 | |
| 83 | T | C | -1.0411 | |
| 84 | N | C | -1.8190 | |
| 85 | R | C | -1.7381 | |
| 86 | L | C | 0.0000 | |
| 87 | I | C | -0.2794 | |
| 88 | T | C | 0.0000 | |
| 89 | G | C | -1.7120 | |
| 90 | T | C | -1.9065 | |
| 91 | L | C | 0.0000 | |
| 92 | E | C | -1.7840 | |
| 93 | V | C | 0.0000 | |
| 94 | Q | C | -2.2449 | |
| 95 | K | C | -2.9524 | |
| 96 | G | C | 0.0000 | |
| 97 | G | C | -1.5668 | |
| 98 | T | C | -1.1644 | |
| 99 | M | C | 0.0000 | |
| 100 | R | C | 0.0000 | |
| 101 | G | C | -2.0897 | |
| 102 | N | C | -2.6444 | |
| 103 | I | C | 0.0000 | |
| 104 | E | C | -2.6942 | |
| 105 | H | C | 0.0000 | |
| 106 | T | C | -1.8109 | |
| 107 | G | C | -1.8118 | |
| 108 | G | C | -1.9040 | |
| 109 | E | C | -2.3301 | |
| 110 | L | C | 0.0000 | |
| 111 | S | C | -1.5240 | |
| 112 | S | C | 0.0000 | |
| 113 | N | C | -1.5469 | |
| 114 | G | C | -0.9167 | |
| 115 | K | C | -0.7932 | |
| 116 | V | C | -0.6435 | |
| 117 | L | C | 0.0000 | |
| 118 | H | C | -0.6317 | |
| 119 | T | C | -0.2730 | |
| 120 | H | C | 0.0000 | |
| 121 | K | C | -0.4834 | |
| 122 | H | C | 0.0000 | |
| 123 | P | C | -0.5471 | |
| 124 | G | C | -1.1983 | |
| 125 | D | C | -1.2449 | |
| 126 | S | C | -1.1045 | |
| 127 | G | C | -0.9799 | |
| 128 | G | C | -0.8821 | |
| 129 | T | C | -0.6427 | |
| 130 | T | C | 0.0000 | |
| 131 | G | C | -0.4377 | |
| 132 | S | C | -0.2614 | |
| 133 | P | C | 0.0000 | |
| 134 | L | C | 1.1297 | |
| 21 | D | P | -2.5180 | |
| 22 | A | P | -1.6761 | |
| 23 | L | P | -0.0948 | |
| 24 | H | P | -0.3559 | |
| 25 | I | P | -0.2289 | |
| 26 | R | P | -1.9351 | |
| 27 | F | P | 0.0000 | |
| 28 | P | P | -2.0022 | |
| 29 | D | P | -2.1644 | |
| 30 | G | P | -1.4664 | |
| 31 | A | P | 0.0000 | |
| 32 | V | P | -0.7238 | |
| 33 | I | P | -0.2361 | |
| 34 | E | P | -0.4919 | |
| 35 | Y | P | 0.0000 | |
| 36 | E | P | -1.9030 | |
| 37 | P | P | -2.2434 | |
| 38 | E | P | -2.5010 | |
| 39 | T | P | -1.5602 | |
| 40 | S | P | 0.0000 | |
| 41 | A | P | -1.0624 | |
| 42 | L | P | -0.3130 | |
| 43 | T | P | -0.0510 | |
| 44 | V | P | 0.0000 | |
| 45 | S | P | -0.6143 | |
| 46 | G | P | -1.1055 | |
| 47 | I | P | 0.0000 | |
| 48 | K | P | -1.2933 | |
| 49 | T | P | -0.4296 | |
| 50 | A | P | 0.0000 | |
| 51 | S | P | 0.2774 | |
| 52 | V | P | 0.3819 | |
| 53 | T | P | -0.4007 | |
| 54 | A | P | 0.0000 | |
| 55 | S | P | -0.8528 | |
| 56 | G | P | -0.6908 | |
| 57 | S | P | -0.2437 | |
| 58 | V | P | 0.2864 | |
| 59 | T | P | 0.2132 | |
| 60 | A | P | 0.1225 | |
| 61 | T | P | -0.3103 | |
| 62 | V | P | 0.0000 | |
| 63 | P | P | -0.3138 | |
| 64 | V | P | 0.1257 | |
| 65 | V | P | 0.2373 | |
| 66 | M | P | -0.0707 | |
| 67 | V | P | 0.0000 | |
| 68 | K | P | -1.4925 | |
| 69 | A | P | 0.0000 | |
| 70 | S | P | -0.5337 | |
| 71 | T | P | -0.3905 | |
| 72 | R | P | -0.4916 | |
| 73 | V | P | 0.0000 | |
| 74 | T | P | 0.0000 | |
| 75 | L | P | 0.0000 | |
| 76 | D | P | -1.4735 | |
| 77 | T | P | 0.0000 | |
| 78 | P | P | -1.7656 | |
| 79 | E | P | -1.8402 | |
| 80 | V | P | 0.0000 | |
| 81 | V | P | -0.4382 | |
| 82 | C | P | 0.0000 | |
| 83 | T | P | -0.9595 | |
| 84 | N | P | -1.7876 | |
| 85 | R | P | -2.0559 | |
| 86 | L | P | 0.0000 | |
| 87 | I | P | -0.5564 | |
| 88 | T | P | 0.0000 | |
| 89 | G | P | 0.0000 | |
| 90 | T | P | -1.2545 | |
| 91 | L | P | 0.0000 | |
| 92 | E | P | 0.0000 | |
| 93 | V | P | 0.0000 | |
| 94 | Q | P | -1.7714 | |
| 95 | K | P | -2.8181 | |
| 96 | G | P | 0.0000 | |
| 97 | G | P | -1.4637 | |
| 98 | T | P | -1.1335 | |
| 99 | M | P | 0.0000 | |
| 100 | R | P | -2.9130 | |
| 101 | G | P | -2.7167 | |
| 102 | N | P | -2.9142 | |
| 103 | I | P | 0.0000 | |
| 104 | E | P | -2.7360 | |
| 105 | H | P | 0.0000 | |
| 106 | T | P | -1.7472 | |
| 107 | G | P | -1.5403 | |
| 108 | G | P | -1.6883 | |
| 109 | E | P | -1.9966 | |
| 110 | L | P | 0.0000 | |
| 111 | S | P | -1.1674 | |
| 112 | S | P | 0.0000 | |
| 113 | N | P | -1.3070 | |
| 114 | G | P | -0.8175 | |
| 115 | K | P | -0.7835 | |
| 116 | V | P | -0.6379 | |
| 117 | L | P | 0.0000 | |
| 118 | H | P | -0.7430 | |
| 119 | T | P | -0.4806 | |
| 120 | H | P | 0.0000 | |
| 121 | K | P | -0.5067 | |
| 122 | H | P | 0.0000 | |
| 123 | P | P | -0.5359 | |
| 124 | G | P | -1.2013 | |
| 125 | D | P | -1.2347 | |
| 126 | S | P | -1.1062 | |
| 127 | G | P | -0.9800 | |
| 128 | G | P | -0.8853 | |
| 129 | T | P | -0.6306 | |
| 130 | T | P | 0.0000 | |
| 131 | G | P | -0.4158 | |
| 132 | S | P | -0.2343 | |
| 133 | P | P | 0.0000 | |
| 134 | L | P | 1.1399 | |
| 19 | S | Q | -1.1800 | |
| 20 | A | Q | -0.9510 | |
| 21 | D | Q | -2.4332 | |
| 22 | A | Q | -1.3556 | |
| 23 | L | Q | -0.5387 | |
| 24 | H | Q | -0.9617 | |
| 25 | I | Q | -0.5309 | |
| 26 | R | Q | -2.2029 | |
| 27 | F | Q | 0.0000 | |
| 28 | P | Q | -1.9254 | |
| 29 | D | Q | -2.2345 | |
| 30 | G | Q | -1.4141 | |
| 31 | A | Q | 0.0000 | |
| 32 | V | Q | -0.8722 | |
| 33 | I | Q | -0.2585 | |
| 34 | E | Q | -0.5987 | |
| 35 | Y | Q | 0.0000 | |
| 36 | E | Q | -1.4027 | |
| 37 | P | Q | 0.0000 | |
| 38 | E | Q | -2.3642 | |
| 39 | T | Q | -1.3629 | |
| 40 | S | Q | 0.0000 | |
| 41 | A | Q | -0.8073 | |
| 42 | L | Q | -0.1729 | |
| 43 | T | Q | -0.0076 | |
| 44 | V | Q | 0.0000 | |
| 45 | S | Q | -0.6648 | |
| 46 | G | Q | -1.1872 | |
| 47 | I | Q | 0.0000 | |
| 48 | K | Q | -1.9985 | |
| 49 | T | Q | -0.7935 | |
| 50 | A | Q | 0.0000 | |
| 51 | S | Q | 0.2416 | |
| 52 | V | Q | 0.3275 | |
| 53 | T | Q | -0.3169 | |
| 54 | A | Q | -0.4090 | |
| 55 | S | Q | -0.5981 | |
| 56 | G | Q | -0.3773 | |
| 57 | S | Q | 0.0187 | |
| 58 | V | Q | 0.4426 | |
| 59 | T | Q | 0.1299 | |
| 60 | A | Q | -0.0399 | |
| 61 | T | Q | -0.4977 | |
| 62 | V | Q | 0.0000 | |
| 63 | P | Q | -0.4367 | |
| 64 | V | Q | 0.0397 | |
| 65 | V | Q | 0.0000 | |
| 66 | M | Q | 0.0686 | |
| 67 | V | Q | -0.1413 | |
| 68 | K | Q | -1.0875 | |
| 69 | A | Q | 0.0000 | |
| 70 | S | Q | -0.7129 | |
| 71 | T | Q | -0.6331 | |
| 72 | R | Q | -0.9630 | |
| 73 | V | Q | 0.0000 | |
| 74 | T | Q | 0.0000 | |
| 75 | L | Q | 0.0000 | |
| 76 | D | Q | -1.1035 | |
| 77 | T | Q | 0.0000 | |
| 78 | P | Q | -0.7219 | |
| 79 | E | Q | 0.0000 | |
| 80 | V | Q | 0.0000 | |
| 81 | V | Q | -0.0336 | |
| 82 | C | Q | 0.0000 | |
| 83 | T | Q | -1.3275 | |
| 84 | N | Q | -2.4943 | |
| 85 | R | Q | -2.6835 | |
| 86 | L | Q | 0.0000 | |
| 87 | I | Q | -0.5961 | |
| 88 | T | Q | 0.0000 | |
| 89 | G | Q | 0.0000 | |
| 90 | T | Q | -1.9205 | |
| 91 | L | Q | 0.0000 | |
| 92 | E | Q | -1.5759 | |
| 93 | V | Q | 0.0000 | |
| 94 | Q | Q | -2.1972 | |
| 95 | K | Q | -2.8039 | |
| 96 | G | Q | 0.0000 | |
| 97 | G | Q | -1.2328 | |
| 98 | T | Q | -0.8613 | |
| 99 | M | Q | 0.0000 | |
| 100 | R | Q | -2.2495 | |
| 101 | G | Q | -2.2837 | |
| 102 | N | Q | -2.4253 | |
| 103 | I | Q | 0.0000 | |
| 104 | E | Q | -1.7703 | |
| 105 | H | Q | 0.0000 | |
| 106 | T | Q | -1.6897 | |
| 107 | G | Q | -1.8092 | |
| 108 | G | Q | -1.8336 | |
| 109 | E | Q | -1.9852 | |
| 110 | L | Q | 0.0000 | |
| 111 | S | Q | 0.0000 | |
| 112 | S | Q | 0.0000 | |
| 113 | N | Q | -1.6871 | |
| 114 | G | Q | -1.0294 | |
| 115 | K | Q | -0.7877 | |
| 116 | V | Q | -0.5605 | |
| 117 | L | Q | 0.0000 | |
| 118 | H | Q | -0.5312 | |
| 119 | T | Q | -0.3245 | |
| 120 | H | Q | 0.0000 | |
| 121 | K | Q | -0.4285 | |
| 122 | H | Q | 0.0000 | |
| 123 | P | Q | -0.5166 | |
| 124 | G | Q | -1.2041 | |
| 125 | D | Q | -1.2440 | |
| 126 | S | Q | -1.1175 | |
| 127 | G | Q | -0.9875 | |
| 128 | G | Q | -0.9204 | |
| 129 | T | Q | -0.6298 | |
| 130 | T | Q | 0.0000 | |
| 131 | G | Q | -0.3579 | |
| 132 | S | Q | -0.1605 | |
| 133 | P | Q | 0.0000 | |
| 134 | L | Q | 1.1632 | |
| 18 | V | R | 1.2440 | |
| 19 | S | R | -0.4895 | |
| 20 | A | R | -0.9595 | |
| 21 | D | R | -2.2461 | |
| 22 | A | R | -1.6578 | |
| 23 | L | R | -0.5594 | |
| 24 | H | R | -1.1738 | |
| 25 | I | R | -0.7044 | |
| 26 | R | R | -2.2208 | |
| 27 | F | R | 0.0000 | |
| 28 | P | R | -1.6756 | |
| 29 | D | R | -1.9465 | |
| 30 | G | R | -1.1715 | |
| 31 | A | R | 0.0000 | |
| 32 | V | R | 0.0000 | |
| 33 | I | R | -0.4047 | |
| 34 | E | R | -0.7882 | |
| 35 | Y | R | 0.0000 | |
| 36 | E | R | -1.4452 | |
| 37 | P | R | -1.6520 | |
| 38 | E | R | -1.7201 | |
| 39 | T | R | -1.1550 | |
| 40 | S | R | -1.2640 | |
| 41 | A | R | -0.6774 | |
| 42 | L | R | -0.1534 | |
| 43 | T | R | -0.1184 | |
| 44 | V | R | 0.0000 | |
| 45 | S | R | -0.5894 | |
| 46 | G | R | -1.0321 | |
| 47 | I | R | 0.0000 | |
| 48 | K | R | -1.7023 | |
| 49 | T | R | -0.6746 | |
| 50 | A | R | 0.0000 | |
| 51 | S | R | 0.2431 | |
| 52 | V | R | 0.3590 | |
| 53 | T | R | -0.4318 | |
| 54 | A | R | 0.0000 | |
| 55 | S | R | -1.0158 | |
| 56 | G | R | -0.8389 | |
| 57 | S | R | -0.2929 | |
| 58 | V | R | 0.2585 | |
| 59 | T | R | 0.1185 | |
| 60 | A | R | -0.0053 | |
| 61 | T | R | -0.4327 | |
| 62 | V | R | 0.0000 | |
| 63 | P | R | 0.0000 | |
| 64 | V | R | 0.2593 | |
| 65 | V | R | 0.2888 | |
| 66 | M | R | -0.0067 | |
| 67 | V | R | 0.0000 | |
| 68 | K | R | -1.5789 | |
| 69 | A | R | 0.0000 | |
| 70 | S | R | -0.8907 | |
| 71 | T | R | -0.7740 | |
| 72 | R | R | -1.2262 | |
| 73 | V | R | 0.0000 | |
| 74 | T | R | 0.0000 | |
| 75 | L | R | 0.0000 | |
| 76 | D | R | -1.1780 | |
| 77 | T | R | 0.0000 | |
| 78 | P | R | -1.3383 | |
| 79 | E | R | -1.4092 | |
| 80 | V | R | 0.0000 | |
| 81 | V | R | -0.3496 | |
| 82 | C | R | 0.0000 | |
| 83 | T | R | -0.6259 | |
| 84 | N | R | -0.9991 | |
| 85 | R | R | 0.0000 | |
| 86 | L | R | 0.0000 | |
| 87 | I | R | 0.0784 | |
| 88 | T | R | 0.0000 | |
| 89 | G | R | -1.7388 | |
| 90 | T | R | -1.9521 | |
| 91 | L | R | 0.0000 | |
| 92 | E | R | -1.4273 | |
| 93 | V | R | 0.0000 | |
| 94 | Q | R | -2.4618 | |
| 95 | K | R | -3.1160 | |
| 96 | G | R | 0.0000 | |
| 97 | G | R | -1.8491 | |
| 98 | T | R | -1.5397 | |
| 99 | M | R | 0.0000 | |
| 100 | R | R | -2.7321 | |
| 101 | G | R | 0.0000 | |
| 102 | N | R | -2.3422 | |
| 103 | I | R | 0.0000 | |
| 104 | E | R | -1.6209 | |
| 105 | H | R | 0.0000 | |
| 106 | T | R | -1.3933 | |
| 107 | G | R | -1.5069 | |
| 108 | G | R | -1.7871 | |
| 109 | E | R | -1.9038 | |
| 110 | L | R | 0.0000 | |
| 111 | S | R | 0.0000 | |
| 112 | S | R | 0.0000 | |
| 113 | N | R | -1.4783 | |
| 114 | G | R | -0.9617 | |
| 115 | K | R | -0.7556 | |
| 116 | V | R | -0.6135 | |
| 117 | L | R | 0.0000 | |
| 118 | H | R | -0.7105 | |
| 119 | T | R | -0.4274 | |
| 120 | H | R | 0.0000 | |
| 121 | K | R | -0.4783 | |
| 122 | H | R | 0.0000 | |
| 123 | P | R | -0.4717 | |
| 124 | G | R | -1.1827 | |
| 125 | D | R | -1.2454 | |
| 126 | S | R | -1.1069 | |
| 127 | G | R | -0.9521 | |
| 128 | G | R | -0.8780 | |
| 129 | T | R | -0.6008 | |
| 130 | T | R | 0.0000 | |
| 131 | G | R | -0.4520 | |
| 132 | S | R | -0.2659 | |
| 133 | P | R | 0.0000 | |
| 134 | L | R | 1.1110 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.6193 | 1.3777 | View | CSV | PDB |
| 4.5 | -0.6608 | 1.3812 | View | CSV | PDB |
| 5.0 | -0.7114 | 1.3883 | View | CSV | PDB |
| 5.5 | -0.7618 | 1.4005 | View | CSV | PDB |
| 6.0 | -0.8018 | 1.4267 | View | CSV | PDB |
| 6.5 | -0.8236 | 1.4718 | View | CSV | PDB |
| 7.0 | -0.8258 | 1.535 | View | CSV | PDB |
| 7.5 | -0.8138 | 1.6086 | View | CSV | PDB |
| 8.0 | -0.7932 | 1.6862 | View | CSV | PDB |
| 8.5 | -0.7661 | 1.7652 | View | CSV | PDB |
| 9.0 | -0.7335 | 1.8441 | View | CSV | PDB |
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