| Chain sequence(s) |
A: APQSITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGATFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMEN
C: APQSITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGATFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMEN B: APQSITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGATFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMEN E: APQSITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGATFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMEN D: APQSITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGATFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMEN input PDB |
| Selected Chain(s) | A,C,B,E,D |
| 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] (00:00:00)
[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] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:24)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/bb87a5118f17f6b/tmp/folded.pdb (00:11:24)
[INFO] Main: Simulation completed successfully. (00:14:36)
|
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 |
|---|---|---|---|---|
| 22 | A | A | -0.4219 | |
| 23 | P | A | 0.0000 | |
| 24 | Q | A | -0.9937 | |
| 25 | S | A | -0.7428 | |
| 26 | I | A | 0.0000 | |
| 27 | T | A | -0.8161 | |
| 28 | E | A | -1.3794 | |
| 29 | L | A | 0.0000 | |
| 30 | C | A | 0.0000 | |
| 31 | S | A | -1.5969 | |
| 32 | E | A | -2.0216 | |
| 33 | Y | A | -1.8104 | |
| 34 | R | A | -3.0107 | |
| 35 | N | A | -3.1817 | |
| 36 | T | A | -2.1025 | |
| 37 | Q | A | -1.2213 | |
| 38 | I | A | 0.0706 | |
| 39 | Y | A | 0.2731 | |
| 40 | T | A | -0.2545 | |
| 41 | I | A | -0.9146 | |
| 42 | N | A | -1.8970 | |
| 43 | D | A | -2.3339 | |
| 44 | K | A | -2.4748 | |
| 45 | I | A | 0.0000 | |
| 46 | L | A | -1.6472 | |
| 47 | S | A | -1.1087 | |
| 48 | Y | A | 0.0000 | |
| 49 | T | A | 0.0000 | |
| 50 | E | A | 0.0000 | |
| 51 | S | A | 0.0000 | |
| 52 | M | A | 0.0000 | |
| 53 | A | A | 0.0000 | |
| 54 | G | A | -1.2506 | |
| 55 | K | A | -1.7800 | |
| 56 | R | A | -1.3564 | |
| 57 | E | A | 0.0000 | |
| 58 | M | A | 0.0000 | |
| 59 | V | A | 0.0000 | |
| 60 | I | A | 0.0000 | |
| 61 | I | A | 0.0000 | |
| 62 | T | A | -0.7919 | |
| 63 | F | A | 0.0000 | |
| 64 | K | A | -2.2014 | |
| 65 | S | A | -1.2695 | |
| 66 | G | A | -1.0938 | |
| 67 | A | A | -0.5338 | |
| 68 | T | A | -0.5537 | |
| 69 | F | A | 0.0000 | |
| 70 | Q | A | 0.0000 | |
| 71 | V | A | 0.0000 | |
| 72 | E | A | 0.0000 | |
| 73 | V | A | -0.4076 | |
| 74 | P | A | -0.9981 | |
| 75 | G | A | -0.9173 | |
| 76 | S | A | -0.9500 | |
| 77 | Q | A | -1.2468 | |
| 78 | H | A | -1.0713 | |
| 79 | I | A | -0.9431 | |
| 80 | D | A | -2.3012 | |
| 81 | S | A | -1.8282 | |
| 82 | Q | A | 0.0000 | |
| 83 | K | A | -2.4933 | |
| 84 | K | A | -2.5116 | |
| 85 | A | A | 0.0000 | |
| 86 | I | A | 0.0000 | |
| 87 | E | A | -1.4246 | |
| 88 | R | A | 0.0000 | |
| 89 | M | A | 0.0000 | |
| 90 | K | A | 0.0000 | |
| 91 | D | A | -0.6947 | |
| 92 | T | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | R | A | 0.0000 | |
| 95 | I | A | 0.2132 | |
| 96 | T | A | 0.0000 | |
| 97 | Y | A | 0.0000 | |
| 98 | L | A | -0.5439 | |
| 99 | T | A | -0.8817 | |
| 100 | E | A | -2.3662 | |
| 101 | T | A | -1.9953 | |
| 102 | K | A | -2.6833 | |
| 103 | I | A | 0.0000 | |
| 104 | D | A | -1.6412 | |
| 105 | K | A | -0.7183 | |
| 106 | L | A | 0.0000 | |
| 107 | C | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | W | A | -1.8892 | |
| 110 | N | A | -2.8695 | |
| 111 | N | A | -2.8479 | |
| 112 | K | A | -2.0945 | |
| 113 | T | A | -1.1806 | |
| 114 | P | A | 0.0000 | |
| 115 | N | A | -1.3142 | |
| 116 | S | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | A | A | 0.0000 | |
| 119 | A | A | 0.0000 | |
| 120 | I | A | 0.0000 | |
| 121 | S | A | 0.0000 | |
| 122 | M | A | 0.0000 | |
| 123 | E | A | -2.3691 | |
| 124 | N | A | -2.5565 | |
| 22 | A | B | -0.5037 | |
| 23 | P | B | 0.0000 | |
| 24 | Q | B | -1.1077 | |
| 25 | S | B | -0.9129 | |
| 26 | I | B | 0.0000 | |
| 27 | T | B | -1.2121 | |
| 28 | E | B | -2.0920 | |
| 29 | L | B | 0.0000 | |
| 30 | C | B | 0.0000 | |
| 31 | S | B | -1.9983 | |
| 32 | E | B | -2.5401 | |
| 33 | Y | B | -1.9260 | |
| 34 | R | B | -2.7125 | |
| 35 | N | B | -2.1764 | |
| 36 | T | B | -1.9113 | |
| 37 | Q | B | -1.3779 | |
| 38 | I | B | -0.1455 | |
| 39 | Y | B | 0.1930 | |
| 40 | T | B | -0.2766 | |
| 41 | I | B | -0.8938 | |
| 42 | N | B | -2.0059 | |
| 43 | D | B | -2.1437 | |
| 44 | K | B | -2.5104 | |
| 45 | I | B | 0.0000 | |
| 46 | L | B | -1.6068 | |
| 47 | S | B | -1.1474 | |
| 48 | Y | B | 0.0000 | |
| 49 | T | B | 0.0000 | |
| 50 | E | B | 0.0000 | |
| 51 | S | B | 0.0000 | |
| 52 | M | B | 0.0000 | |
| 53 | A | B | 0.0000 | |
| 54 | G | B | -1.3241 | |
| 55 | K | B | -2.0186 | |
| 56 | R | B | -1.4086 | |
| 57 | E | B | 0.0000 | |
| 58 | M | B | 0.0000 | |
| 59 | V | B | 0.0000 | |
| 60 | I | B | 0.0000 | |
| 61 | I | B | 0.0000 | |
| 62 | T | B | -0.8226 | |
| 63 | F | B | 0.0000 | |
| 64 | K | B | -2.1400 | |
| 65 | S | B | -1.3259 | |
| 66 | G | B | -1.1019 | |
| 67 | A | B | -0.5202 | |
| 68 | T | B | -0.5473 | |
| 69 | F | B | 0.0000 | |
| 70 | Q | B | 0.0000 | |
| 71 | V | B | 0.0000 | |
| 72 | E | B | -0.2517 | |
| 73 | V | B | -0.3860 | |
| 74 | P | B | -1.0350 | |
| 75 | G | B | -0.9766 | |
| 76 | S | B | -0.9342 | |
| 77 | Q | B | -1.3982 | |
| 78 | H | B | -1.0941 | |
| 79 | I | B | -0.8745 | |
| 80 | D | B | -2.2787 | |
| 81 | S | B | -1.8933 | |
| 82 | Q | B | 0.0000 | |
| 83 | K | B | -2.8520 | |
| 84 | K | B | -2.8422 | |
| 85 | A | B | 0.0000 | |
| 86 | I | B | 0.0000 | |
| 87 | E | B | -1.5059 | |
| 88 | R | B | 0.0000 | |
| 89 | M | B | 0.0000 | |
| 90 | K | B | 0.0000 | |
| 91 | D | B | -0.6754 | |
| 92 | T | B | 0.0000 | |
| 93 | L | B | 0.0000 | |
| 94 | R | B | 0.0000 | |
| 95 | I | B | 0.2152 | |
| 96 | T | B | 0.0000 | |
| 97 | Y | B | 0.0000 | |
| 98 | L | B | -0.8477 | |
| 99 | T | B | -0.8806 | |
| 100 | E | B | -2.3323 | |
| 101 | T | B | -1.9287 | |
| 102 | K | B | -2.6178 | |
| 103 | I | B | 0.0000 | |
| 104 | D | B | -1.6985 | |
| 105 | K | B | -0.6918 | |
| 106 | L | B | 0.0000 | |
| 107 | C | B | 0.0000 | |
| 108 | V | B | 0.0000 | |
| 109 | W | B | -1.6581 | |
| 110 | N | B | -2.6095 | |
| 111 | N | B | -2.4711 | |
| 112 | K | B | -1.6910 | |
| 113 | T | B | -1.0313 | |
| 114 | P | B | 0.0000 | |
| 115 | N | B | -1.3423 | |
| 116 | S | B | 0.0000 | |
| 117 | I | B | 0.0000 | |
| 118 | A | B | 0.0000 | |
| 119 | A | B | 0.0000 | |
| 120 | I | B | 0.0000 | |
| 121 | S | B | 0.0000 | |
| 122 | M | B | 0.0000 | |
| 123 | E | B | -2.0121 | |
| 124 | N | B | -2.3267 | |
| 22 | A | C | -0.6540 | |
| 23 | P | C | 0.0000 | |
| 24 | Q | C | -1.5414 | |
| 25 | S | C | -1.2020 | |
| 26 | I | C | 0.0000 | |
| 27 | T | C | -1.2747 | |
| 28 | E | C | -2.3602 | |
| 29 | L | C | 0.0000 | |
| 30 | C | C | 0.0000 | |
| 31 | S | C | -1.8890 | |
| 32 | E | C | -2.1075 | |
| 33 | Y | C | -1.8959 | |
| 34 | R | C | -2.9425 | |
| 35 | N | C | -2.8885 | |
| 36 | T | C | -1.9122 | |
| 37 | Q | C | -1.0679 | |
| 38 | I | C | 0.0865 | |
| 39 | Y | C | 0.2803 | |
| 40 | T | C | -0.2084 | |
| 41 | I | C | -0.6663 | |
| 42 | N | C | -1.8047 | |
| 43 | D | C | -2.0083 | |
| 44 | K | C | -2.2265 | |
| 45 | I | C | 0.0000 | |
| 46 | L | C | -1.2394 | |
| 47 | S | C | -0.9508 | |
| 48 | Y | C | 0.0000 | |
| 49 | T | C | 0.0000 | |
| 50 | E | C | 0.0000 | |
| 51 | S | C | 0.0000 | |
| 52 | M | C | 0.0000 | |
| 53 | A | C | 0.0000 | |
| 54 | G | C | -1.3061 | |
| 55 | K | C | -1.7830 | |
| 56 | R | C | -1.3949 | |
| 57 | E | C | 0.0000 | |
| 58 | M | C | 0.0000 | |
| 59 | V | C | 0.0000 | |
| 60 | I | C | 0.0000 | |
| 61 | I | C | 0.0000 | |
| 62 | T | C | -0.7482 | |
| 63 | F | C | 0.0000 | |
| 64 | K | C | -1.9917 | |
| 65 | S | C | -1.1991 | |
| 66 | G | C | -1.0960 | |
| 67 | A | C | -0.6111 | |
| 68 | T | C | -0.5269 | |
| 69 | F | C | 0.0000 | |
| 70 | Q | C | 0.0000 | |
| 71 | V | C | 0.0000 | |
| 72 | E | C | 0.0000 | |
| 73 | V | C | -0.2683 | |
| 74 | P | C | -0.6487 | |
| 75 | G | C | -0.7761 | |
| 76 | S | C | -0.8564 | |
| 77 | Q | C | -1.1450 | |
| 78 | H | C | 0.0000 | |
| 79 | I | C | -0.6724 | |
| 80 | D | C | -2.0993 | |
| 81 | S | C | -1.7237 | |
| 82 | Q | C | 0.0000 | |
| 83 | K | C | -2.2225 | |
| 84 | K | C | -2.5680 | |
| 85 | A | C | 0.0000 | |
| 86 | I | C | 0.0000 | |
| 87 | E | C | -1.4349 | |
| 88 | R | C | 0.0000 | |
| 89 | M | C | 0.0000 | |
| 90 | K | C | 0.0000 | |
| 91 | D | C | -0.7377 | |
| 92 | T | C | 0.0000 | |
| 93 | L | C | 0.0000 | |
| 94 | R | C | -0.2266 | |
| 95 | I | C | 0.1796 | |
| 96 | T | C | 0.0000 | |
| 97 | Y | C | 0.0000 | |
| 98 | L | C | -0.3635 | |
| 99 | T | C | -0.8998 | |
| 100 | E | C | -2.1502 | |
| 101 | T | C | -1.9519 | |
| 102 | K | C | -2.6299 | |
| 103 | I | C | 0.0000 | |
| 104 | D | C | -1.5758 | |
| 105 | K | C | -0.6711 | |
| 106 | L | C | 0.0000 | |
| 107 | C | C | 0.0000 | |
| 108 | V | C | 0.0000 | |
| 109 | W | C | -1.6517 | |
| 110 | N | C | -2.3480 | |
| 111 | N | C | -2.6480 | |
| 112 | K | C | -1.8205 | |
| 113 | T | C | -1.0284 | |
| 114 | P | C | 0.0000 | |
| 115 | N | C | -1.1373 | |
| 116 | S | C | 0.0000 | |
| 117 | I | C | 0.0000 | |
| 118 | A | C | 0.0000 | |
| 119 | A | C | 0.0000 | |
| 120 | I | C | 0.0000 | |
| 121 | S | C | 0.0000 | |
| 122 | M | C | 0.0000 | |
| 123 | E | C | -2.0698 | |
| 124 | N | C | -2.3719 | |
| 22 | A | D | -0.5732 | |
| 23 | P | D | 0.0000 | |
| 24 | Q | D | -1.2839 | |
| 25 | S | D | -0.8692 | |
| 26 | I | D | 0.0000 | |
| 27 | T | D | -0.8036 | |
| 28 | E | D | -1.4676 | |
| 29 | L | D | 0.0000 | |
| 30 | C | D | 0.0000 | |
| 31 | S | D | -1.5174 | |
| 32 | E | D | -1.8488 | |
| 33 | Y | D | -1.7119 | |
| 34 | R | D | -2.7949 | |
| 35 | N | D | -2.5619 | |
| 36 | T | D | -1.7291 | |
| 37 | Q | D | -0.8049 | |
| 38 | I | D | 0.3148 | |
| 39 | Y | D | 0.3708 | |
| 40 | T | D | -0.1278 | |
| 41 | I | D | -0.6762 | |
| 42 | N | D | -1.6019 | |
| 43 | D | D | -1.9011 | |
| 44 | K | D | -2.0354 | |
| 45 | I | D | 0.0000 | |
| 46 | L | D | -1.5277 | |
| 47 | S | D | -1.0520 | |
| 48 | Y | D | 0.0000 | |
| 49 | T | D | 0.0000 | |
| 50 | E | D | 0.0000 | |
| 51 | S | D | 0.0000 | |
| 52 | M | D | 0.0000 | |
| 53 | A | D | 0.0000 | |
| 54 | G | D | -1.2341 | |
| 55 | K | D | -1.9996 | |
| 56 | R | D | -1.4104 | |
| 57 | E | D | 0.0000 | |
| 58 | M | D | 0.0000 | |
| 59 | V | D | 0.0000 | |
| 60 | I | D | 0.0000 | |
| 61 | I | D | 0.0000 | |
| 62 | T | D | -0.8159 | |
| 63 | F | D | 0.0000 | |
| 64 | K | D | -2.1550 | |
| 65 | S | D | -1.2349 | |
| 66 | G | D | -1.0901 | |
| 67 | A | D | -0.5530 | |
| 68 | T | D | -0.6269 | |
| 69 | F | D | 0.0000 | |
| 70 | Q | D | 0.0000 | |
| 71 | V | D | 0.0000 | |
| 72 | E | D | -0.2912 | |
| 73 | V | D | -0.5737 | |
| 74 | P | D | -1.0652 | |
| 75 | G | D | -0.9909 | |
| 76 | S | D | -0.7524 | |
| 77 | Q | D | -1.2168 | |
| 78 | H | D | -1.0694 | |
| 79 | I | D | -0.9710 | |
| 80 | D | D | -2.1595 | |
| 81 | S | D | -1.9372 | |
| 82 | Q | D | 0.0000 | |
| 83 | K | D | -2.7496 | |
| 84 | K | D | -2.7990 | |
| 85 | A | D | 0.0000 | |
| 86 | I | D | 0.0000 | |
| 87 | E | D | -1.6374 | |
| 88 | R | D | -1.2520 | |
| 89 | M | D | 0.0000 | |
| 90 | K | D | 0.0000 | |
| 91 | D | D | -0.6872 | |
| 92 | T | D | 0.0000 | |
| 93 | L | D | 0.0000 | |
| 94 | R | D | 0.0000 | |
| 95 | I | D | 0.2749 | |
| 96 | T | D | 0.0000 | |
| 97 | Y | D | 0.0000 | |
| 98 | L | D | -0.6479 | |
| 99 | T | D | -0.7041 | |
| 100 | E | D | -1.9476 | |
| 101 | T | D | -1.5342 | |
| 102 | K | D | -1.9988 | |
| 103 | I | D | 0.0000 | |
| 104 | D | D | -1.3523 | |
| 105 | K | D | -0.5256 | |
| 106 | L | D | 0.0000 | |
| 107 | C | D | 0.0000 | |
| 108 | V | D | 0.0000 | |
| 109 | W | D | -1.4508 | |
| 110 | N | D | -2.1254 | |
| 111 | N | D | -2.3704 | |
| 112 | K | D | -1.5963 | |
| 113 | T | D | -1.0237 | |
| 114 | P | D | 0.0000 | |
| 115 | N | D | -1.1552 | |
| 116 | S | D | 0.0000 | |
| 117 | I | D | 0.0000 | |
| 118 | A | D | 0.0000 | |
| 119 | A | D | 0.0000 | |
| 120 | I | D | 0.0000 | |
| 121 | S | D | 0.0000 | |
| 122 | M | D | 0.0000 | |
| 123 | E | D | -1.6369 | |
| 124 | N | D | -2.0579 | |
| 22 | A | E | -0.4757 | |
| 23 | P | E | 0.0000 | |
| 24 | Q | E | -1.0484 | |
| 25 | S | E | -0.7362 | |
| 26 | I | E | 0.0000 | |
| 27 | T | E | -0.7959 | |
| 28 | E | E | -1.4506 | |
| 29 | L | E | 0.0000 | |
| 30 | C | E | 0.0000 | |
| 31 | S | E | -1.7647 | |
| 32 | E | E | -2.4295 | |
| 33 | Y | E | -1.9950 | |
| 34 | R | E | -2.8730 | |
| 35 | N | E | -2.4778 | |
| 36 | T | E | -1.7464 | |
| 37 | Q | E | -0.7845 | |
| 38 | I | E | 0.3428 | |
| 39 | Y | E | 0.4096 | |
| 40 | T | E | -0.1310 | |
| 41 | I | E | -0.9108 | |
| 42 | N | E | -1.9031 | |
| 43 | D | E | -2.4182 | |
| 44 | K | E | -2.6771 | |
| 45 | I | E | 0.0000 | |
| 46 | L | E | -1.2987 | |
| 47 | S | E | -0.7913 | |
| 48 | Y | E | 0.0000 | |
| 49 | T | E | 0.0000 | |
| 50 | E | E | 0.0000 | |
| 51 | S | E | 0.0000 | |
| 52 | M | E | 0.0000 | |
| 53 | A | E | 0.0000 | |
| 54 | G | E | -1.2800 | |
| 55 | K | E | -1.8088 | |
| 56 | R | E | -1.3731 | |
| 57 | E | E | 0.0000 | |
| 58 | M | E | 0.0000 | |
| 59 | V | E | 0.0000 | |
| 60 | I | E | 0.0000 | |
| 61 | I | E | 0.0000 | |
| 62 | T | E | -0.7673 | |
| 63 | F | E | 0.0000 | |
| 64 | K | E | -2.0377 | |
| 65 | S | E | -1.2374 | |
| 66 | G | E | -1.1032 | |
| 67 | A | E | -0.5325 | |
| 68 | T | E | -0.6027 | |
| 69 | F | E | 0.0000 | |
| 70 | Q | E | 0.0000 | |
| 71 | V | E | 0.0000 | |
| 72 | E | E | -0.3903 | |
| 73 | V | E | -0.5274 | |
| 74 | P | E | -1.2161 | |
| 75 | G | E | -1.0893 | |
| 76 | S | E | -0.8271 | |
| 77 | Q | E | -1.2803 | |
| 78 | H | E | -1.0892 | |
| 79 | I | E | -0.9803 | |
| 80 | D | E | -2.0769 | |
| 81 | S | E | -1.8196 | |
| 82 | Q | E | 0.0000 | |
| 83 | K | E | -2.3599 | |
| 84 | K | E | -2.6222 | |
| 85 | A | E | 0.0000 | |
| 86 | I | E | 0.0000 | |
| 87 | E | E | -1.5061 | |
| 88 | R | E | -1.1566 | |
| 89 | M | E | 0.0000 | |
| 90 | K | E | 0.0000 | |
| 91 | D | E | -0.6763 | |
| 92 | T | E | 0.0000 | |
| 93 | L | E | 0.0000 | |
| 94 | R | E | 0.0000 | |
| 95 | I | E | 0.2459 | |
| 96 | T | E | 0.0000 | |
| 97 | Y | E | 0.0000 | |
| 98 | L | E | -0.5330 | |
| 99 | T | E | -0.9897 | |
| 100 | E | E | -2.5279 | |
| 101 | T | E | -2.3098 | |
| 102 | K | E | -3.3124 | |
| 103 | I | E | 0.0000 | |
| 104 | D | E | -1.7844 | |
| 105 | K | E | -0.7181 | |
| 106 | L | E | 0.0000 | |
| 107 | C | E | 0.0000 | |
| 108 | V | E | 0.0000 | |
| 109 | W | E | -1.4633 | |
| 110 | N | E | -2.1845 | |
| 111 | N | E | -2.4939 | |
| 112 | K | E | -1.9197 | |
| 113 | T | E | -1.1435 | |
| 114 | P | E | 0.0000 | |
| 115 | N | E | -1.2129 | |
| 116 | S | E | 0.0000 | |
| 117 | I | E | 0.0000 | |
| 118 | A | E | 0.0000 | |
| 119 | A | E | 0.0000 | |
| 120 | I | E | 0.0000 | |
| 121 | S | E | 0.0000 | |
| 122 | M | E | 0.0000 | |
| 123 | E | E | -2.2700 | |
| 124 | N | E | -2.5595 |
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 | -0.8732 | 0.8542 | View | CSV | PDB |
| 4.5 | -0.9154 | 0.7955 | View | CSV | PDB |
| 5.0 | -0.968 | 0.7171 | View | CSV | PDB |
| 5.5 | -1.0198 | 0.6771 | View | CSV | PDB |
| 6.0 | -1.0562 | 0.6709 | View | CSV | PDB |
| 6.5 | -1.0644 | 0.6715 | View | CSV | PDB |
| 7.0 | -1.043 | 0.6801 | View | CSV | PDB |
| 7.5 | -1.0011 | 0.6942 | View | CSV | PDB |
| 8.0 | -0.9486 | 0.7116 | View | CSV | PDB |
| 8.5 | -0.8898 | 0.7318 | View | CSV | PDB |
| 9.0 | -0.8258 | 0.7549 | 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