| 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 |
| 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] Analysis: Starting Aggrescan4D on folded.pdb (00:14:29)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ed872400e2fd578/tmp/folded.pdb (00:14:29)
[INFO] Main: Simulation completed successfully. (00:18:39)
|
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 | 1.2684 | |
| 19 | S | A | -0.3062 | |
| 20 | A | A | -0.8861 | |
| 21 | D | A | -2.2264 | |
| 22 | A | A | -1.4066 | |
| 23 | L | A | -0.5587 | |
| 24 | H | A | -0.4797 | |
| 25 | I | A | -0.1273 | |
| 26 | R | A | -1.3117 | |
| 27 | F | A | 0.0000 | |
| 28 | P | A | -1.8334 | |
| 29 | D | A | -2.1139 | |
| 30 | G | A | -1.2061 | |
| 31 | A | A | 0.0000 | |
| 32 | V | A | -0.3783 | |
| 33 | I | A | -0.1307 | |
| 34 | E | A | -0.3890 | |
| 35 | Y | A | 0.0000 | |
| 36 | E | A | -1.0392 | |
| 37 | P | A | 0.0000 | |
| 38 | E | A | -0.9200 | |
| 39 | T | A | -0.4969 | |
| 40 | S | A | 0.0000 | |
| 41 | A | A | -0.2677 | |
| 42 | L | A | -0.0165 | |
| 43 | T | A | -0.0183 | |
| 44 | V | A | 0.0000 | |
| 45 | S | A | -0.4793 | |
| 46 | G | A | -1.0705 | |
| 47 | I | A | 0.0000 | |
| 48 | K | A | -1.7911 | |
| 49 | T | A | -0.7308 | |
| 50 | A | A | 0.0000 | |
| 51 | S | A | 0.2335 | |
| 52 | V | A | 0.3534 | |
| 53 | T | A | -0.3363 | |
| 54 | A | A | 0.0000 | |
| 55 | S | A | -0.7772 | |
| 56 | G | A | -0.5346 | |
| 57 | S | A | -0.0896 | |
| 58 | V | A | 0.3939 | |
| 59 | T | A | 0.1658 | |
| 60 | A | A | -0.0093 | |
| 61 | T | A | -0.4555 | |
| 62 | V | A | 0.0000 | |
| 63 | P | A | -0.2967 | |
| 64 | V | A | 0.1050 | |
| 65 | V | A | 0.0000 | |
| 66 | M | A | 0.0245 | |
| 67 | V | A | -0.3268 | |
| 68 | K | A | -1.4136 | |
| 69 | A | A | 0.0000 | |
| 70 | S | A | -0.7383 | |
| 71 | T | A | -0.5938 | |
| 72 | R | A | -0.8264 | |
| 73 | V | A | 0.0000 | |
| 74 | T | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | D | A | -1.2155 | |
| 77 | T | A | 0.0000 | |
| 78 | P | A | -1.2715 | |
| 79 | E | A | -1.1905 | |
| 80 | V | A | 0.0000 | |
| 81 | V | A | -0.3054 | |
| 82 | C | A | 0.0000 | |
| 83 | T | A | -0.8339 | |
| 84 | N | A | -1.4831 | |
| 85 | R | A | -1.5637 | |
| 86 | L | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | T | A | 0.0000 | |
| 89 | G | A | 0.0000 | |
| 90 | T | A | -1.5901 | |
| 91 | L | A | 0.0000 | |
| 92 | E | A | -1.0018 | |
| 93 | V | A | 0.0000 | |
| 94 | Q | A | -2.4144 | |
| 95 | K | A | -3.0438 | |
| 96 | G | A | 0.0000 | |
| 97 | G | A | -1.8762 | |
| 98 | T | A | -1.6537 | |
| 99 | M | A | 0.0000 | |
| 100 | R | A | -3.0678 | |
| 101 | G | A | -2.5455 | |
| 102 | N | A | -2.5306 | |
| 103 | I | A | 0.0000 | |
| 104 | E | A | -1.9699 | |
| 105 | H | A | 0.0000 | |
| 106 | T | A | -1.4153 | |
| 107 | G | A | -1.5673 | |
| 108 | G | A | -1.6460 | |
| 109 | E | A | -1.9035 | |
| 110 | L | A | 0.0000 | |
| 111 | S | A | 0.0000 | |
| 112 | S | A | 0.0000 | |
| 113 | N | A | -1.4445 | |
| 114 | G | A | -0.8986 | |
| 115 | K | A | -0.7294 | |
| 116 | V | A | -0.5816 | |
| 117 | L | A | 0.0000 | |
| 118 | H | A | -0.6033 | |
| 119 | T | A | -0.4062 | |
| 120 | H | A | 0.0000 | |
| 121 | K | A | -0.5801 | |
| 122 | H | A | 0.0000 | |
| 123 | P | A | -0.5335 | |
| 124 | G | A | -1.1861 | |
| 125 | D | A | -1.2322 | |
| 126 | S | A | -1.0976 | |
| 127 | G | A | -0.9507 | |
| 128 | G | A | -0.8572 | |
| 129 | T | A | -0.6211 | |
| 130 | T | A | 0.0000 | |
| 131 | G | A | -0.3934 | |
| 132 | S | A | -0.2241 | |
| 133 | P | A | 0.0000 | |
| 134 | L | A | 1.1751 | |
| 21 | D | B | -2.4987 | |
| 22 | A | B | -1.6381 | |
| 23 | L | B | -0.2663 | |
| 24 | H | B | -0.6402 | |
| 25 | I | B | -0.2206 | |
| 26 | R | B | -1.5349 | |
| 27 | F | B | 0.0000 | |
| 28 | P | B | -1.7448 | |
| 29 | D | B | -1.9384 | |
| 30 | G | B | -1.2643 | |
| 31 | A | B | 0.0000 | |
| 32 | V | B | -0.6043 | |
| 33 | I | B | -0.2340 | |
| 34 | E | B | -0.7212 | |
| 35 | Y | B | 0.0000 | |
| 36 | E | B | -1.9417 | |
| 37 | P | B | 0.0000 | |
| 38 | E | B | -2.5289 | |
| 39 | T | B | -1.4907 | |
| 40 | S | B | -1.5929 | |
| 41 | A | B | -0.9078 | |
| 42 | L | B | -0.1400 | |
| 43 | T | B | -0.1112 | |
| 44 | V | B | 0.0000 | |
| 45 | S | B | -0.4076 | |
| 46 | G | B | -0.8166 | |
| 47 | I | B | 0.0000 | |
| 48 | K | B | -0.4854 | |
| 49 | T | B | -0.0770 | |
| 50 | A | B | 0.0000 | |
| 51 | S | B | 0.2908 | |
| 52 | V | B | 0.4169 | |
| 53 | T | B | -0.4093 | |
| 54 | A | B | 0.0000 | |
| 55 | S | B | -0.9013 | |
| 56 | G | B | -0.7067 | |
| 57 | S | B | -0.2623 | |
| 58 | V | B | 0.2313 | |
| 59 | T | B | 0.1539 | |
| 60 | A | B | 0.1131 | |
| 61 | T | B | -0.3032 | |
| 62 | V | B | 0.0000 | |
| 63 | P | B | -0.2579 | |
| 64 | V | B | 0.2408 | |
| 65 | V | B | 0.3166 | |
| 66 | M | B | 0.0104 | |
| 67 | V | B | 0.0000 | |
| 68 | K | B | -1.4626 | |
| 69 | A | B | 0.0000 | |
| 70 | S | B | -0.6593 | |
| 71 | T | B | 0.0000 | |
| 72 | R | B | -0.4689 | |
| 73 | V | B | 0.0000 | |
| 74 | T | B | -0.0974 | |
| 75 | L | B | 0.0000 | |
| 76 | D | B | -1.1343 | |
| 77 | T | B | 0.0000 | |
| 78 | P | B | -1.2066 | |
| 79 | E | B | -1.0718 | |
| 80 | V | B | 0.0000 | |
| 81 | V | B | -0.1882 | |
| 82 | C | B | 0.0000 | |
| 83 | T | B | -0.9696 | |
| 84 | N | B | -1.7745 | |
| 85 | R | B | -1.9511 | |
| 86 | L | B | 0.0000 | |
| 87 | I | B | -0.5262 | |
| 88 | T | B | 0.0000 | |
| 89 | G | B | 0.0000 | |
| 90 | T | B | -1.7015 | |
| 91 | L | B | 0.0000 | |
| 92 | E | B | -1.3959 | |
| 93 | V | B | 0.0000 | |
| 94 | Q | B | -2.2049 | |
| 95 | K | B | -2.6759 | |
| 96 | G | B | 0.0000 | |
| 97 | G | B | -1.3069 | |
| 98 | T | B | -1.0553 | |
| 99 | M | B | 0.0000 | |
| 100 | R | B | -2.5138 | |
| 101 | G | B | -2.6172 | |
| 102 | N | B | -2.9332 | |
| 103 | I | B | 0.0000 | |
| 104 | E | B | -2.8110 | |
| 105 | H | B | 0.0000 | |
| 106 | T | B | -1.8523 | |
| 107 | G | B | -1.8460 | |
| 108 | G | B | -1.9251 | |
| 109 | E | B | -2.2691 | |
| 110 | L | B | 0.0000 | |
| 111 | S | B | -1.2586 | |
| 112 | S | B | 0.0000 | |
| 113 | N | B | -1.2081 | |
| 114 | G | B | -0.7996 | |
| 115 | K | B | -0.7366 | |
| 116 | V | B | -0.6443 | |
| 117 | L | B | 0.0000 | |
| 118 | H | B | -0.6789 | |
| 119 | T | B | -0.4468 | |
| 120 | H | B | 0.0000 | |
| 121 | K | B | -0.4921 | |
| 122 | H | B | 0.0000 | |
| 123 | P | B | -0.4601 | |
| 124 | G | B | -1.1718 | |
| 125 | D | B | -1.2168 | |
| 126 | S | B | -1.0933 | |
| 127 | G | B | -0.9609 | |
| 128 | G | B | -0.8888 | |
| 129 | T | B | -0.6161 | |
| 130 | T | B | 0.0000 | |
| 131 | G | B | -0.4659 | |
| 132 | S | B | -0.2452 | |
| 133 | P | B | 0.0000 | |
| 134 | L | B | 1.0902 | |
| 18 | V | C | 1.2799 | |
| 19 | S | C | -0.2606 | |
| 20 | A | C | -0.8439 | |
| 21 | D | C | -2.4093 | |
| 22 | A | C | -1.7352 | |
| 23 | L | C | -0.8309 | |
| 24 | H | C | -1.1703 | |
| 25 | I | C | -0.8029 | |
| 26 | R | C | -2.2924 | |
| 27 | F | C | 0.0000 | |
| 28 | P | C | -1.9569 | |
| 29 | D | C | -2.1338 | |
| 30 | G | C | -1.4728 | |
| 31 | A | C | 0.0000 | |
| 32 | V | C | -0.8855 | |
| 33 | I | C | -0.2318 | |
| 34 | E | C | -0.7450 | |
| 35 | Y | C | 0.0000 | |
| 36 | E | C | -1.9894 | |
| 37 | P | C | -2.2025 | |
| 38 | E | C | -2.4953 | |
| 39 | T | C | -1.5761 | |
| 40 | S | C | -1.7269 | |
| 41 | A | C | -1.0251 | |
| 42 | L | C | -0.3135 | |
| 43 | T | C | -0.0736 | |
| 44 | V | C | 0.3090 | |
| 45 | S | C | -0.5407 | |
| 46 | G | C | -1.1270 | |
| 47 | I | C | 0.0000 | |
| 48 | K | C | -1.4317 | |
| 49 | T | C | -0.5720 | |
| 50 | A | C | 0.0000 | |
| 51 | S | C | 0.2415 | |
| 52 | V | C | 0.3538 | |
| 53 | T | C | -0.2049 | |
| 54 | A | C | 0.0000 | |
| 55 | S | C | -0.3852 | |
| 56 | G | C | -0.2357 | |
| 57 | S | C | 0.0851 | |
| 58 | V | C | 0.4579 | |
| 59 | T | C | 0.1281 | |
| 60 | A | C | 0.0202 | |
| 61 | T | C | -0.4252 | |
| 62 | V | C | 0.0000 | |
| 63 | P | C | -0.3731 | |
| 64 | V | C | 0.0438 | |
| 65 | V | C | 0.0000 | |
| 66 | M | C | 0.0503 | |
| 67 | V | C | -0.2199 | |
| 68 | K | C | -1.1013 | |
| 69 | A | C | 0.0000 | |
| 70 | S | C | -0.7016 | |
| 71 | T | C | -0.5386 | |
| 72 | R | C | -0.9607 | |
| 73 | V | C | 0.0000 | |
| 74 | T | C | -0.2610 | |
| 75 | L | C | 0.0000 | |
| 76 | D | C | -1.2702 | |
| 77 | T | C | 0.0000 | |
| 78 | P | C | -0.9023 | |
| 79 | E | C | 0.0000 | |
| 80 | V | C | 0.0000 | |
| 81 | V | C | -0.1159 | |
| 82 | C | C | 0.0000 | |
| 83 | T | C | -0.9347 | |
| 84 | N | C | -1.6886 | |
| 85 | R | C | -1.6879 | |
| 86 | L | C | 0.0000 | |
| 87 | I | C | -0.2668 | |
| 88 | T | C | 0.0000 | |
| 89 | G | C | -1.6714 | |
| 90 | T | C | -1.8807 | |
| 91 | L | C | 0.0000 | |
| 92 | E | C | -1.7851 | |
| 93 | V | C | 0.0000 | |
| 94 | Q | C | -2.2521 | |
| 95 | K | C | -2.9338 | |
| 96 | G | C | 0.0000 | |
| 97 | G | C | -1.5731 | |
| 98 | T | C | -1.2884 | |
| 99 | M | C | 0.0000 | |
| 100 | R | C | 0.0000 | |
| 101 | G | C | -2.0800 | |
| 102 | N | C | -2.5417 | |
| 103 | I | C | 0.0000 | |
| 104 | E | C | -1.9801 | |
| 105 | H | C | 0.0000 | |
| 106 | T | C | -1.6163 | |
| 107 | G | C | -1.7688 | |
| 108 | G | C | -1.8318 | |
| 109 | E | C | -2.1617 | |
| 110 | L | C | 0.0000 | |
| 111 | S | C | -1.4899 | |
| 112 | S | C | 0.0000 | |
| 113 | N | C | -1.5620 | |
| 114 | G | C | -0.9269 | |
| 115 | K | C | -0.7868 | |
| 116 | V | C | -0.6242 | |
| 117 | L | C | 0.0000 | |
| 118 | H | C | -0.5971 | |
| 119 | T | C | -0.2475 | |
| 120 | H | C | 0.0000 | |
| 121 | K | C | -0.4967 | |
| 122 | H | C | 0.0000 | |
| 123 | P | C | -0.5499 | |
| 124 | G | C | -1.2002 | |
| 125 | D | C | -1.2461 | |
| 126 | S | C | -1.1055 | |
| 127 | G | C | -0.9812 | |
| 128 | G | C | -0.8846 | |
| 129 | T | C | -0.6482 | |
| 130 | T | C | 0.0000 | |
| 131 | G | C | -0.4396 | |
| 132 | S | C | -0.2611 | |
| 133 | P | C | 0.0000 | |
| 134 | L | C | 1.1331 | |
| 21 | D | P | -2.5006 | |
| 22 | A | P | -1.6435 | |
| 23 | L | P | -0.0239 | |
| 24 | H | P | -0.3329 | |
| 25 | I | P | -0.2570 | |
| 26 | R | P | -1.9473 | |
| 27 | F | P | 0.0000 | |
| 28 | P | P | -2.0254 | |
| 29 | D | P | -2.1838 | |
| 30 | G | P | -1.4416 | |
| 31 | A | P | 0.0000 | |
| 32 | V | P | -0.7251 | |
| 33 | I | P | -0.2435 | |
| 34 | E | P | -0.4711 | |
| 35 | Y | P | 0.0000 | |
| 36 | E | P | -1.8785 | |
| 37 | P | P | -2.2378 | |
| 38 | E | P | -2.5016 | |
| 39 | T | P | -1.5617 | |
| 40 | S | P | -1.7401 | |
| 41 | A | P | -1.0582 | |
| 42 | L | P | -0.3088 | |
| 43 | T | P | -0.0526 | |
| 44 | V | P | 0.0000 | |
| 45 | S | P | -0.6141 | |
| 46 | G | P | -1.0968 | |
| 47 | I | P | 0.0000 | |
| 48 | K | P | -1.2698 | |
| 49 | T | P | -0.4204 | |
| 50 | A | P | 0.0000 | |
| 51 | S | P | 0.2761 | |
| 52 | V | P | 0.3844 | |
| 53 | T | P | -0.3769 | |
| 54 | A | P | 0.0000 | |
| 55 | S | P | -0.8481 | |
| 56 | G | P | -0.6856 | |
| 57 | S | P | -0.2328 | |
| 58 | V | P | 0.2904 | |
| 59 | T | P | 0.1947 | |
| 60 | A | P | 0.0926 | |
| 61 | T | P | -0.3433 | |
| 62 | V | P | 0.0000 | |
| 63 | P | P | -0.3113 | |
| 64 | V | P | 0.1312 | |
| 65 | V | P | 0.2317 | |
| 66 | M | P | -0.0840 | |
| 67 | V | P | 0.0000 | |
| 68 | K | P | -1.5327 | |
| 69 | A | P | 0.0000 | |
| 70 | S | P | -0.5523 | |
| 71 | T | P | -0.4061 | |
| 72 | R | P | -0.5195 | |
| 73 | V | P | 0.0000 | |
| 74 | T | P | 0.0000 | |
| 75 | L | P | 0.0000 | |
| 76 | D | P | -1.4727 | |
| 77 | T | P | 0.0000 | |
| 78 | P | P | -1.7483 | |
| 79 | E | P | -1.8038 | |
| 80 | V | P | 0.0000 | |
| 81 | V | P | -0.4055 | |
| 82 | C | P | 0.0000 | |
| 83 | T | P | -0.9759 | |
| 84 | N | P | -1.7994 | |
| 85 | R | P | -2.0890 | |
| 86 | L | P | 0.0000 | |
| 87 | I | P | -0.5748 | |
| 88 | T | P | 0.0000 | |
| 89 | G | P | 0.0000 | |
| 90 | T | P | -1.2443 | |
| 91 | L | P | 0.0000 | |
| 92 | E | P | 0.0000 | |
| 93 | V | P | 0.0000 | |
| 94 | Q | P | -2.3053 | |
| 95 | K | P | -3.0717 | |
| 96 | G | P | 0.0000 | |
| 97 | G | P | -1.5324 | |
| 98 | T | P | -1.1332 | |
| 99 | M | P | 0.0000 | |
| 100 | R | P | -2.9150 | |
| 101 | G | P | -2.7143 | |
| 102 | N | P | -2.9077 | |
| 103 | I | P | 0.0000 | |
| 104 | E | P | -2.7603 | |
| 105 | H | P | 0.0000 | |
| 106 | T | P | -1.7682 | |
| 107 | G | P | -1.5499 | |
| 108 | G | P | -1.6919 | |
| 109 | E | P | -1.9924 | |
| 110 | L | P | 0.0000 | |
| 111 | S | P | -1.1493 | |
| 112 | S | P | 0.0000 | |
| 113 | N | P | -1.3093 | |
| 114 | G | P | -0.8118 | |
| 115 | K | P | -0.7630 | |
| 116 | V | P | -0.6114 | |
| 117 | L | P | 0.0000 | |
| 118 | H | P | -0.6942 | |
| 119 | T | P | -0.4655 | |
| 120 | H | P | 0.0000 | |
| 121 | K | P | -0.5266 | |
| 122 | H | P | 0.0000 | |
| 123 | P | P | -0.5424 | |
| 124 | G | P | -1.2059 | |
| 125 | D | P | -1.2352 | |
| 126 | S | P | -1.1065 | |
| 127 | G | P | -0.9800 | |
| 128 | G | P | -0.8855 | |
| 129 | T | P | -0.6376 | |
| 130 | T | P | 0.0000 | |
| 131 | G | P | -0.4280 | |
| 132 | S | P | -0.2327 | |
| 133 | P | P | 0.0000 | |
| 134 | L | P | 1.1467 | |
| 19 | S | Q | -1.1774 | |
| 20 | A | Q | -0.9485 | |
| 21 | D | Q | -2.4310 | |
| 22 | A | Q | -1.3444 | |
| 23 | L | Q | -0.5182 | |
| 24 | H | Q | -0.9066 | |
| 25 | I | Q | -0.4541 | |
| 26 | R | Q | -2.1708 | |
| 27 | F | Q | 0.0000 | |
| 28 | P | Q | -1.9278 | |
| 29 | D | Q | -2.2396 | |
| 30 | G | Q | -1.4199 | |
| 31 | A | Q | 0.0000 | |
| 32 | V | Q | -0.8565 | |
| 33 | I | Q | -0.2434 | |
| 34 | E | Q | -0.5790 | |
| 35 | Y | Q | 0.0000 | |
| 36 | E | Q | -1.3993 | |
| 37 | P | Q | 0.0000 | |
| 38 | E | Q | -2.3642 | |
| 39 | T | Q | -1.3644 | |
| 40 | S | Q | 0.0000 | |
| 41 | A | Q | -0.8089 | |
| 42 | L | Q | -0.1736 | |
| 43 | T | Q | -0.0076 | |
| 44 | V | Q | 0.0000 | |
| 45 | S | Q | -0.6691 | |
| 46 | G | Q | -1.1983 | |
| 47 | I | Q | 0.0000 | |
| 48 | K | Q | -1.9702 | |
| 49 | T | Q | -0.7658 | |
| 50 | A | Q | 0.0000 | |
| 51 | S | Q | 0.2384 | |
| 52 | V | Q | 0.3213 | |
| 53 | T | Q | -0.3164 | |
| 54 | A | Q | -0.4004 | |
| 55 | S | Q | -0.5788 | |
| 56 | G | Q | 0.0000 | |
| 57 | S | Q | 0.0229 | |
| 58 | V | Q | 0.4413 | |
| 59 | T | Q | 0.1255 | |
| 60 | A | Q | -0.0421 | |
| 61 | T | Q | -0.5008 | |
| 62 | V | Q | 0.0000 | |
| 63 | P | Q | -0.4207 | |
| 64 | V | Q | 0.0657 | |
| 65 | V | Q | 0.0000 | |
| 66 | M | Q | 0.0452 | |
| 67 | V | Q | -0.2082 | |
| 68 | K | Q | -1.2275 | |
| 69 | A | Q | 0.0000 | |
| 70 | S | Q | -0.7491 | |
| 71 | T | Q | -0.6418 | |
| 72 | R | Q | -0.9834 | |
| 73 | V | Q | 0.0000 | |
| 74 | T | Q | 0.0000 | |
| 75 | L | Q | 0.0000 | |
| 76 | D | Q | -1.1093 | |
| 77 | T | Q | 0.0000 | |
| 78 | P | Q | -0.7257 | |
| 79 | E | Q | 0.0000 | |
| 80 | V | Q | 0.0000 | |
| 81 | V | Q | -0.0437 | |
| 82 | C | Q | 0.0000 | |
| 83 | T | Q | -1.3759 | |
| 84 | N | Q | -2.5422 | |
| 85 | R | Q | -2.6597 | |
| 86 | L | Q | 0.0000 | |
| 87 | I | Q | -0.5309 | |
| 88 | T | Q | 0.0000 | |
| 89 | G | Q | 0.0000 | |
| 90 | T | Q | -1.9299 | |
| 91 | L | Q | 0.0000 | |
| 92 | E | Q | -1.6167 | |
| 93 | V | Q | 0.0000 | |
| 94 | Q | Q | -2.1186 | |
| 95 | K | Q | -2.7665 | |
| 96 | G | Q | 0.0000 | |
| 97 | G | Q | -1.2378 | |
| 98 | T | Q | -0.9644 | |
| 99 | M | Q | 0.0000 | |
| 100 | R | Q | -2.4562 | |
| 101 | G | Q | -2.4295 | |
| 102 | N | Q | -2.5456 | |
| 103 | I | Q | 0.0000 | |
| 104 | E | Q | -1.7906 | |
| 105 | H | Q | 0.0000 | |
| 106 | T | Q | -1.6890 | |
| 107 | G | Q | -1.8075 | |
| 108 | G | Q | -1.8277 | |
| 109 | E | Q | -1.9694 | |
| 110 | L | Q | 0.0000 | |
| 111 | S | Q | 0.0000 | |
| 112 | S | Q | 0.0000 | |
| 113 | N | Q | -1.7609 | |
| 114 | G | Q | -1.0622 | |
| 115 | K | Q | -0.7956 | |
| 116 | V | Q | -0.5620 | |
| 117 | L | Q | 0.0000 | |
| 118 | H | Q | -0.5294 | |
| 119 | T | Q | -0.3245 | |
| 120 | H | Q | 0.0000 | |
| 121 | K | Q | -0.4339 | |
| 122 | H | Q | 0.0000 | |
| 123 | P | Q | -0.5220 | |
| 124 | G | Q | -1.2085 | |
| 125 | D | Q | -1.2446 | |
| 126 | S | Q | -1.1176 | |
| 127 | G | Q | -0.9879 | |
| 128 | G | Q | -0.9206 | |
| 129 | T | Q | -0.6313 | |
| 130 | T | Q | 0.0000 | |
| 131 | G | Q | -0.3595 | |
| 132 | S | Q | -0.1629 | |
| 133 | P | Q | 0.0000 | |
| 134 | L | Q | 1.1629 | |
| 18 | V | R | 1.2422 | |
| 19 | S | R | -0.5018 | |
| 20 | A | R | -0.9699 | |
| 21 | D | R | -2.2454 | |
| 22 | A | R | -1.7055 | |
| 23 | L | R | -0.5657 | |
| 24 | H | R | -1.1301 | |
| 25 | I | R | -0.6439 | |
| 26 | R | R | -2.1771 | |
| 27 | F | R | 0.0000 | |
| 28 | P | R | -1.7092 | |
| 29 | D | R | -2.0042 | |
| 30 | G | R | -1.2944 | |
| 31 | A | R | 0.0000 | |
| 32 | V | R | -0.8827 | |
| 33 | I | R | -0.3047 | |
| 34 | E | R | -0.7366 | |
| 35 | Y | R | 0.0000 | |
| 36 | E | R | -1.5533 | |
| 37 | P | R | -1.8165 | |
| 38 | E | R | -2.1390 | |
| 39 | T | R | -1.3605 | |
| 40 | S | R | -1.3619 | |
| 41 | A | R | -0.7373 | |
| 42 | L | R | -0.1560 | |
| 43 | T | R | -0.0789 | |
| 44 | V | R | 0.0000 | |
| 45 | S | R | -0.5423 | |
| 46 | G | R | -1.0210 | |
| 47 | I | R | 0.0000 | |
| 48 | K | R | -1.7041 | |
| 49 | T | R | -0.6731 | |
| 50 | A | R | 0.0000 | |
| 51 | S | R | 0.2473 | |
| 52 | V | R | 0.3611 | |
| 53 | T | R | -0.4329 | |
| 54 | A | R | 0.0000 | |
| 55 | S | R | -0.9711 | |
| 56 | G | R | -0.7431 | |
| 57 | S | R | -0.2447 | |
| 58 | V | R | 0.2774 | |
| 59 | T | R | 0.1084 | |
| 60 | A | R | -0.0231 | |
| 61 | T | R | -0.4501 | |
| 62 | V | R | 0.0000 | |
| 63 | P | R | 0.0000 | |
| 64 | V | R | 0.2235 | |
| 65 | V | R | 0.2689 | |
| 66 | M | R | -0.0217 | |
| 67 | V | R | 0.0000 | |
| 68 | K | R | -1.5857 | |
| 69 | A | R | 0.0000 | |
| 70 | S | R | -0.8785 | |
| 71 | T | R | -0.7480 | |
| 72 | R | R | -1.1714 | |
| 73 | V | R | 0.0000 | |
| 74 | T | R | 0.0000 | |
| 75 | L | R | 0.0000 | |
| 76 | D | R | -1.2504 | |
| 77 | T | R | 0.0000 | |
| 78 | P | R | -1.3653 | |
| 79 | E | R | -1.4227 | |
| 80 | V | R | 0.0000 | |
| 81 | V | R | -0.3625 | |
| 82 | C | R | 0.0000 | |
| 83 | T | R | -0.6091 | |
| 84 | N | R | -0.9826 | |
| 85 | R | R | 0.0000 | |
| 86 | L | R | 0.0000 | |
| 87 | I | R | -0.0569 | |
| 88 | T | R | 0.0000 | |
| 89 | G | R | 0.0000 | |
| 90 | T | R | -2.0600 | |
| 91 | L | R | 0.0000 | |
| 92 | E | R | -1.3963 | |
| 93 | V | R | 0.0000 | |
| 94 | Q | R | -2.4360 | |
| 95 | K | R | -3.1129 | |
| 96 | G | R | 0.0000 | |
| 97 | G | R | -1.8667 | |
| 98 | T | R | -1.5528 | |
| 99 | M | R | 0.0000 | |
| 100 | R | R | -2.7434 | |
| 101 | G | R | 0.0000 | |
| 102 | N | R | -2.3306 | |
| 103 | I | R | 0.0000 | |
| 104 | E | R | -1.6252 | |
| 105 | H | R | 0.0000 | |
| 106 | T | R | -1.4119 | |
| 107 | G | R | -1.5260 | |
| 108 | G | R | -1.8078 | |
| 109 | E | R | -1.9374 | |
| 110 | L | R | 0.0000 | |
| 111 | S | R | 0.0000 | |
| 112 | S | R | 0.0000 | |
| 113 | N | R | -1.4769 | |
| 114 | G | R | -0.9636 | |
| 115 | K | R | -0.7563 | |
| 116 | V | R | -0.6131 | |
| 117 | L | R | 0.0000 | |
| 118 | H | R | -0.6952 | |
| 119 | T | R | -0.4238 | |
| 120 | H | R | 0.0000 | |
| 121 | K | R | -0.4774 | |
| 122 | H | R | 0.0000 | |
| 123 | P | R | -0.4728 | |
| 124 | G | R | -1.1838 | |
| 125 | D | R | -1.2458 | |
| 126 | S | R | -1.1073 | |
| 127 | G | R | -0.9527 | |
| 128 | G | R | -0.8795 | |
| 129 | T | R | -0.6017 | |
| 130 | T | R | 0.0000 | |
| 131 | G | R | -0.4566 | |
| 132 | S | R | -0.2672 | |
| 133 | P | R | 0.0000 | |
| 134 | L | R | 1.1068 |
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 | -0.6214 | 1.3755 | View | CSV | PDB |
| 4.5 | -0.6621 | 1.3785 | View | CSV | PDB |
| 5.0 | -0.7117 | 1.3853 | View | CSV | PDB |
| 5.5 | -0.7611 | 1.3988 | View | CSV | PDB |
| 6.0 | -0.8002 | 1.4241 | View | CSV | PDB |
| 6.5 | -0.8205 | 1.4681 | View | CSV | PDB |
| 7.0 | -0.8211 | 1.5306 | View | CSV | PDB |
| 7.5 | -0.8075 | 1.6037 | View | CSV | PDB |
| 8.0 | -0.7853 | 1.6813 | View | CSV | PDB |
| 8.5 | -0.7567 | 1.7602 | View | CSV | PDB |
| 9.0 | -0.7228 | 1.8392 | 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