| Chain sequence(s) |
A: FACKTANGTAIPIGGGSANVYVNLAPVVNVGQNLVVDLSTQIFCHNDYPETITDYVTLQRGSAYGGVLSNFSGTVKYSGSSYPFPTTSETPRVVYNSRTDKPWPVALYLTPVSSAGGVAIKAGSLIAVLILRQTNNYNSDDFQFVWNIYANNDVVVPT
C: FACKTANGTAIPIGGGSANVYVNLAPVVNVGQNLVVDLSTQIFCHNDYPETITDYVTLQRGSAYGGVLSNFSGTVKYSGSSYPFPTTSETPRVVYNSRTDKPWPVALYLTPVSSAGGVAIKAGSLIAVLILRQTNNYNSDDFQFVWNIYANNDVVVPT B: FACKTANGTAIPIGGGSANVYVNLAPVVNVGQNLVVDLSTQIFCHNDYPETITDYVTLQRGSAYGGVLSNFSGTVKYSGSSYPFPTTSETPRVVYNSRTDKPWPVALYLTPVSSAGGVAIKAGSLIAVLILRQTNNYNSDDFQFVWNIYANNDVVVPT E: FACKTANGTAIPIGGGSANVYVNLAPVVNVGQNLVVDLSTQIFCHNDYPETITDYVTLQRGSAYGGVLSNFSGTVKYSGSSYPFPTTSETPRVVYNSRTDKPWPVALYLTPVSSAGGVAIKAGSLIAVLILRQTNNYNSDDFQFVWNIYANNDVVVPT D: FACKTANGTAIPIGGGSANVYVNLAPVVNVGQNLVVDLSTQIFCHNDYPETITDYVTLQRGSAYGGVLSNFSGTVKYSGSSYPFPTTSETPRVVYNSRTDKPWPVALYLTPVSSAGGVAIKAGSLIAVLILRQTNNYNSDDFQFVWNIYANNDVVVPT input PDB |
| Selected Chain(s) | A,C,B,E,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | Used: no changes made |
| 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: Running AlphaCutter (00:00:01)
[INFO] PDB: AlphaCutter did not cut any residues. The original structure will be used
for analysis. (00:00:17)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:18)
[INFO] FoldX: Starting FoldX energy minimization (00:00:19)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:58)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/93022243351fac/tmp/folded.pdb (00:04:58)
[INFO] Main: Simulation completed successfully. (00:08:19)
|
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 |
|---|---|---|---|---|
| 1 | F | A | 0.0000 | |
| 2 | A | A | -0.2292 | |
| 3 | C | A | 0.0000 | |
| 4 | K | A | -1.2400 | |
| 5 | T | A | 0.0000 | |
| 6 | A | A | -0.7844 | |
| 7 | N | A | -1.4859 | |
| 8 | G | A | -1.3302 | |
| 9 | T | A | -1.1241 | |
| 10 | A | A | -0.6345 | |
| 11 | I | A | 0.0000 | |
| 12 | P | A | 0.4362 | |
| 13 | I | A | 1.5351 | |
| 14 | G | A | 0.1493 | |
| 15 | G | A | -0.3225 | |
| 16 | G | A | -0.3256 | |
| 17 | S | A | -0.6978 | |
| 18 | A | A | 0.0000 | |
| 19 | N | A | -0.9092 | |
| 20 | V | A | 0.0000 | |
| 21 | Y | A | 0.2035 | |
| 22 | V | A | 0.0000 | |
| 23 | N | A | -1.6756 | |
| 24 | L | A | 0.0000 | |
| 25 | A | A | -0.1307 | |
| 26 | P | A | -0.0154 | |
| 27 | V | A | 0.8524 | |
| 28 | V | A | 0.0000 | |
| 29 | N | A | 0.0000 | |
| 30 | V | A | -0.6033 | |
| 31 | G | A | -1.0953 | |
| 32 | Q | A | -0.8916 | |
| 33 | N | A | -0.9865 | |
| 34 | L | A | 0.0000 | |
| 35 | V | A | 0.8579 | |
| 36 | V | A | 0.0000 | |
| 37 | D | A | -0.8193 | |
| 38 | L | A | 0.0000 | |
| 39 | S | A | -0.5453 | |
| 40 | T | A | -0.4680 | |
| 41 | Q | A | -0.5761 | |
| 42 | I | A | 0.0000 | |
| 43 | F | A | -0.4977 | |
| 44 | C | A | 0.0000 | |
| 45 | H | A | -1.8748 | |
| 46 | N | A | 0.0000 | |
| 47 | D | A | -1.9075 | |
| 48 | Y | A | -0.8493 | |
| 49 | P | A | -1.6091 | |
| 50 | E | A | -2.0555 | |
| 51 | T | A | -0.8413 | |
| 52 | I | A | -0.5235 | |
| 53 | T | A | -0.4930 | |
| 54 | D | A | 0.0000 | |
| 55 | Y | A | -0.5741 | |
| 56 | V | A | 0.0000 | |
| 57 | T | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | Q | A | -1.7153 | |
| 60 | R | A | -1.6674 | |
| 61 | G | A | 0.0000 | |
| 62 | S | A | -0.1570 | |
| 63 | A | A | 0.0000 | |
| 64 | Y | A | 0.5108 | |
| 65 | G | A | -0.3317 | |
| 66 | G | A | -0.2161 | |
| 67 | V | A | 0.0000 | |
| 68 | L | A | 0.3989 | |
| 69 | S | A | -0.0995 | |
| 70 | N | A | -0.1453 | |
| 71 | F | A | 0.0000 | |
| 72 | S | A | -0.1583 | |
| 73 | G | A | -0.1873 | |
| 74 | T | A | -0.2346 | |
| 75 | V | A | 0.0000 | |
| 76 | K | A | -1.0013 | |
| 77 | Y | A | 0.0000 | |
| 78 | S | A | -0.8995 | |
| 79 | G | A | -0.8605 | |
| 80 | S | A | -0.6503 | |
| 81 | S | A | -0.4964 | |
| 82 | Y | A | -0.0947 | |
| 83 | P | A | -0.0745 | |
| 84 | F | A | 0.0000 | |
| 85 | P | A | -0.2588 | |
| 86 | T | A | -0.6118 | |
| 87 | T | A | -0.5314 | |
| 88 | S | A | -0.9453 | |
| 89 | E | A | -1.5887 | |
| 90 | T | A | 0.0000 | |
| 91 | P | A | -1.3230 | |
| 92 | R | A | -1.7708 | |
| 93 | V | A | -0.3653 | |
| 94 | V | A | 0.4249 | |
| 95 | Y | A | 0.0000 | |
| 96 | N | A | -1.7517 | |
| 97 | S | A | -2.0619 | |
| 98 | R | A | -2.7291 | |
| 99 | T | A | -1.8314 | |
| 100 | D | A | -1.7575 | |
| 101 | K | A | -1.5596 | |
| 102 | P | A | -0.7132 | |
| 103 | W | A | 0.0000 | |
| 104 | P | A | -0.5890 | |
| 105 | V | A | 0.0000 | |
| 106 | A | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | Y | A | 0.1015 | |
| 109 | L | A | 0.0000 | |
| 110 | T | A | -0.4975 | |
| 111 | P | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | S | A | -0.6116 | |
| 114 | S | A | -0.5524 | |
| 115 | A | A | 0.0000 | |
| 116 | G | A | -0.2020 | |
| 117 | G | A | 0.4580 | |
| 118 | V | A | 1.0523 | |
| 119 | A | A | 0.0000 | |
| 120 | I | A | 0.0000 | |
| 121 | K | A | -1.9309 | |
| 122 | A | A | -1.7719 | |
| 123 | G | A | -1.0970 | |
| 124 | S | A | -0.7380 | |
| 125 | L | A | 0.0289 | |
| 126 | I | A | 0.0000 | |
| 127 | A | A | 0.0000 | |
| 128 | V | A | -0.0266 | |
| 129 | L | A | 0.0000 | |
| 130 | I | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | R | A | -1.6914 | |
| 133 | Q | A | 0.0000 | |
| 134 | T | A | -1.4015 | |
| 135 | N | A | -0.7413 | |
| 136 | N | A | -0.9237 | |
| 137 | Y | A | 0.1490 | |
| 138 | N | A | -1.0635 | |
| 139 | S | A | -1.2353 | |
| 140 | D | A | -1.7139 | |
| 141 | D | A | -2.3296 | |
| 142 | F | A | -1.0620 | |
| 143 | Q | A | -1.6008 | |
| 144 | F | A | 0.0000 | |
| 145 | V | A | -0.4621 | |
| 146 | W | A | 0.0000 | |
| 147 | N | A | -0.2435 | |
| 148 | I | A | 0.0000 | |
| 149 | Y | A | -0.1580 | |
| 150 | A | A | 0.0000 | |
| 151 | N | A | -1.8606 | |
| 152 | N | A | -1.9070 | |
| 153 | D | A | -1.6215 | |
| 154 | V | A | 0.0000 | |
| 155 | V | A | 0.8365 | |
| 156 | V | A | 0.0000 | |
| 157 | P | A | 0.2593 | |
| 158 | T | A | -0.3894 | |
| 1 | F | B | 0.0000 | |
| 2 | A | B | -0.1825 | |
| 3 | C | B | 0.0000 | |
| 4 | K | B | -1.1401 | |
| 5 | T | B | 0.0000 | |
| 6 | A | B | -0.7750 | |
| 7 | N | B | -1.4925 | |
| 8 | G | B | -1.2663 | |
| 9 | T | B | -1.0528 | |
| 10 | A | B | -0.5942 | |
| 11 | I | B | 0.0000 | |
| 12 | P | B | 0.4219 | |
| 13 | I | B | 1.4869 | |
| 14 | G | B | 0.1346 | |
| 15 | G | B | -0.2619 | |
| 16 | G | B | -0.2857 | |
| 17 | S | B | -0.6638 | |
| 18 | A | B | -0.8621 | |
| 19 | N | B | -0.9421 | |
| 20 | V | B | 0.0000 | |
| 21 | Y | B | 0.2700 | |
| 22 | V | B | 0.0000 | |
| 23 | N | B | -1.4553 | |
| 24 | L | B | 0.0000 | |
| 25 | A | B | 0.0151 | |
| 26 | P | B | 0.0365 | |
| 27 | V | B | 0.5171 | |
| 28 | V | B | 0.0000 | |
| 29 | N | B | -1.1262 | |
| 30 | V | B | -0.4851 | |
| 31 | G | B | -1.2079 | |
| 32 | Q | B | -1.7701 | |
| 33 | N | B | -1.5055 | |
| 34 | L | B | 0.0000 | |
| 35 | V | B | 0.7799 | |
| 36 | V | B | 0.0000 | |
| 37 | D | B | -0.6921 | |
| 38 | L | B | 0.0000 | |
| 39 | S | B | -0.5551 | |
| 40 | T | B | -0.4825 | |
| 41 | Q | B | -0.5900 | |
| 42 | I | B | 0.0000 | |
| 43 | F | B | -0.4221 | |
| 44 | C | B | 0.0000 | |
| 45 | H | B | -1.7814 | |
| 46 | N | B | 0.0000 | |
| 47 | D | B | -1.9293 | |
| 48 | Y | B | -0.9108 | |
| 49 | P | B | -1.6368 | |
| 50 | E | B | -2.0697 | |
| 51 | T | B | -0.8416 | |
| 52 | I | B | -0.5656 | |
| 53 | T | B | -0.5564 | |
| 54 | D | B | 0.0000 | |
| 55 | Y | B | -0.7022 | |
| 56 | V | B | 0.0000 | |
| 57 | T | B | -1.3108 | |
| 58 | L | B | 0.0000 | |
| 59 | Q | B | -1.7197 | |
| 60 | R | B | -1.7595 | |
| 61 | G | B | 0.0000 | |
| 62 | S | B | -0.2295 | |
| 63 | A | B | 0.0000 | |
| 64 | Y | B | 0.5203 | |
| 65 | G | B | -0.3499 | |
| 66 | G | B | -0.3970 | |
| 67 | V | B | 0.0000 | |
| 68 | L | B | 0.3724 | |
| 69 | S | B | -0.1128 | |
| 70 | N | B | -0.3343 | |
| 71 | F | B | 0.0000 | |
| 72 | S | B | -0.1617 | |
| 73 | G | B | -0.1749 | |
| 74 | T | B | -0.0759 | |
| 75 | V | B | 0.0000 | |
| 76 | K | B | -0.9205 | |
| 77 | Y | B | 0.0000 | |
| 78 | S | B | -0.8817 | |
| 79 | G | B | -0.8465 | |
| 80 | S | B | -0.6367 | |
| 81 | S | B | -0.4564 | |
| 82 | Y | B | -0.0619 | |
| 83 | P | B | -0.0657 | |
| 84 | F | B | 0.0000 | |
| 85 | P | B | -0.2841 | |
| 86 | T | B | -0.6254 | |
| 87 | T | B | -0.5389 | |
| 88 | S | B | -0.9900 | |
| 89 | E | B | -1.6660 | |
| 90 | T | B | 0.0000 | |
| 91 | P | B | -1.3470 | |
| 92 | R | B | -1.8333 | |
| 93 | V | B | -0.4650 | |
| 94 | V | B | 0.2205 | |
| 95 | Y | B | 0.0000 | |
| 96 | N | B | -1.8291 | |
| 97 | S | B | -2.0636 | |
| 98 | R | B | -2.6809 | |
| 99 | T | B | -1.7382 | |
| 100 | D | B | -1.5598 | |
| 101 | K | B | -1.4686 | |
| 102 | P | B | -0.6516 | |
| 103 | W | B | 0.0000 | |
| 104 | P | B | -0.5751 | |
| 105 | V | B | 0.0000 | |
| 106 | A | B | 0.0000 | |
| 107 | L | B | 0.0000 | |
| 108 | Y | B | 0.0388 | |
| 109 | L | B | 0.0000 | |
| 110 | T | B | -0.7404 | |
| 111 | P | B | 0.0000 | |
| 112 | V | B | 0.0000 | |
| 113 | S | B | -0.4669 | |
| 114 | S | B | -0.4663 | |
| 115 | A | B | 0.0000 | |
| 116 | G | B | -0.5949 | |
| 117 | G | B | -0.2060 | |
| 118 | V | B | -0.1878 | |
| 119 | A | B | 0.0000 | |
| 120 | I | B | 0.0000 | |
| 121 | K | B | -1.9877 | |
| 122 | A | B | -1.5779 | |
| 123 | G | B | -0.8895 | |
| 124 | S | B | -0.6199 | |
| 125 | L | B | -0.0433 | |
| 126 | I | B | 0.0000 | |
| 127 | A | B | 0.0000 | |
| 128 | V | B | 0.0000 | |
| 129 | L | B | 0.0000 | |
| 130 | I | B | 0.0000 | |
| 131 | L | B | 0.0000 | |
| 132 | R | B | -1.5925 | |
| 133 | Q | B | 0.0000 | |
| 134 | T | B | -1.3963 | |
| 135 | N | B | -0.8152 | |
| 136 | N | B | -0.9961 | |
| 137 | Y | B | 0.0180 | |
| 138 | N | B | -1.3234 | |
| 139 | S | B | -1.3295 | |
| 140 | D | B | -1.7106 | |
| 141 | D | B | -2.1967 | |
| 142 | F | B | -0.9332 | |
| 143 | Q | B | -1.3365 | |
| 144 | F | B | 0.0000 | |
| 145 | V | B | -0.4631 | |
| 146 | W | B | 0.0000 | |
| 147 | N | B | -0.3679 | |
| 148 | I | B | 0.0000 | |
| 149 | Y | B | -0.1244 | |
| 150 | A | B | 0.0000 | |
| 151 | N | B | -1.6627 | |
| 152 | N | B | 0.0000 | |
| 153 | D | B | -1.3143 | |
| 154 | V | B | 0.0000 | |
| 155 | V | B | 0.0000 | |
| 156 | V | B | 0.0000 | |
| 157 | P | B | -0.1935 | |
| 158 | T | B | -0.3733 | |
| 1 | F | C | 0.0000 | |
| 2 | A | C | -0.2936 | |
| 3 | C | C | 0.0000 | |
| 4 | K | C | -1.2047 | |
| 5 | T | C | 0.0000 | |
| 6 | A | C | -0.8013 | |
| 7 | N | C | -1.5162 | |
| 8 | G | C | -1.2915 | |
| 9 | T | C | -1.0682 | |
| 10 | A | C | -0.7567 | |
| 11 | I | C | 0.0000 | |
| 12 | P | C | -0.1992 | |
| 13 | I | C | 0.3041 | |
| 14 | G | C | -0.3390 | |
| 15 | G | C | -0.5624 | |
| 16 | G | C | -0.4380 | |
| 17 | S | C | -0.6029 | |
| 18 | A | C | 0.0000 | |
| 19 | N | C | -0.9358 | |
| 20 | V | C | 0.0000 | |
| 21 | Y | C | 0.1226 | |
| 22 | V | C | 0.0000 | |
| 23 | N | C | -1.5979 | |
| 24 | L | C | 0.0000 | |
| 25 | A | C | 0.1773 | |
| 26 | P | C | 0.4962 | |
| 27 | V | C | 1.5207 | |
| 28 | V | C | 0.0000 | |
| 29 | N | C | -0.4900 | |
| 30 | V | C | -0.0103 | |
| 31 | G | C | -0.7850 | |
| 32 | Q | C | -1.2990 | |
| 33 | N | C | -1.2513 | |
| 34 | L | C | 0.0000 | |
| 35 | V | C | 0.7997 | |
| 36 | V | C | 0.0000 | |
| 37 | D | C | -0.7064 | |
| 38 | L | C | 0.0000 | |
| 39 | S | C | -0.5363 | |
| 40 | T | C | -0.4791 | |
| 41 | Q | C | -0.6087 | |
| 42 | I | C | 0.0000 | |
| 43 | F | C | -0.5112 | |
| 44 | C | C | 0.0000 | |
| 45 | H | C | -1.2985 | |
| 46 | N | C | 0.0000 | |
| 47 | D | C | -0.6404 | |
| 48 | Y | C | -0.5645 | |
| 49 | P | C | -1.3635 | |
| 50 | E | C | -1.9791 | |
| 51 | T | C | -0.8508 | |
| 52 | I | C | -0.5318 | |
| 53 | T | C | -0.4973 | |
| 54 | D | C | 0.0000 | |
| 55 | Y | C | -0.6913 | |
| 56 | V | C | 0.0000 | |
| 57 | T | C | -1.4789 | |
| 58 | L | C | 0.0000 | |
| 59 | Q | C | -2.1097 | |
| 60 | R | C | -2.2850 | |
| 61 | G | C | 0.0000 | |
| 62 | S | C | -0.0689 | |
| 63 | A | C | 0.0000 | |
| 64 | Y | C | 1.0139 | |
| 65 | G | C | 0.0192 | |
| 66 | G | C | 0.1121 | |
| 67 | V | C | 0.0000 | |
| 68 | L | C | 1.3481 | |
| 69 | S | C | 0.4500 | |
| 70 | N | C | 0.2029 | |
| 71 | F | C | 0.0000 | |
| 72 | S | C | -0.0523 | |
| 73 | G | C | -0.3609 | |
| 74 | T | C | -0.2788 | |
| 75 | V | C | 0.0000 | |
| 76 | K | C | -1.0361 | |
| 77 | Y | C | 0.0000 | |
| 78 | S | C | -0.8798 | |
| 79 | G | C | -1.0861 | |
| 80 | S | C | -0.7728 | |
| 81 | S | C | -0.5571 | |
| 82 | Y | C | -0.1745 | |
| 83 | P | C | -0.3517 | |
| 84 | F | C | 0.0000 | |
| 85 | P | C | -0.2852 | |
| 86 | T | C | -0.9907 | |
| 87 | T | C | -0.8670 | |
| 88 | S | C | -1.3988 | |
| 89 | E | C | -2.3971 | |
| 90 | T | C | 0.0000 | |
| 91 | P | C | -1.4617 | |
| 92 | R | C | -1.9111 | |
| 93 | V | C | -0.4400 | |
| 94 | V | C | 0.0678 | |
| 95 | Y | C | 0.0000 | |
| 96 | N | C | -1.5447 | |
| 97 | S | C | -1.5125 | |
| 98 | R | C | -1.5862 | |
| 99 | T | C | -1.2347 | |
| 100 | D | C | -1.5083 | |
| 101 | K | C | -1.4337 | |
| 102 | P | C | -0.6970 | |
| 103 | W | C | 0.0000 | |
| 104 | P | C | -0.5369 | |
| 105 | V | C | 0.0000 | |
| 106 | A | C | 0.0000 | |
| 107 | L | C | 0.0000 | |
| 108 | Y | C | -0.0067 | |
| 109 | L | C | 0.0000 | |
| 110 | T | C | -0.4534 | |
| 111 | P | C | 0.0000 | |
| 112 | V | C | 0.5303 | |
| 113 | S | C | 0.0865 | |
| 114 | S | C | -0.1005 | |
| 115 | A | C | 0.0733 | |
| 116 | G | C | -0.0783 | |
| 117 | G | C | 0.6408 | |
| 118 | V | C | 1.3109 | |
| 119 | A | C | 0.0000 | |
| 120 | I | C | 0.0000 | |
| 121 | K | C | -1.8712 | |
| 122 | A | C | -1.7210 | |
| 123 | G | C | -1.0863 | |
| 124 | S | C | -0.7230 | |
| 125 | L | C | 0.0368 | |
| 126 | I | C | 0.0000 | |
| 127 | A | C | 0.0000 | |
| 128 | V | C | 0.0053 | |
| 129 | L | C | 0.0000 | |
| 130 | I | C | -0.7363 | |
| 131 | L | C | 0.0000 | |
| 132 | R | C | -1.6445 | |
| 133 | Q | C | 0.0000 | |
| 134 | T | C | -1.3168 | |
| 135 | N | C | -0.7975 | |
| 136 | N | C | -1.0137 | |
| 137 | Y | C | 0.0052 | |
| 138 | N | C | -1.3107 | |
| 139 | S | C | -1.2954 | |
| 140 | D | C | -1.5362 | |
| 141 | D | C | -1.9179 | |
| 142 | F | C | -0.9474 | |
| 143 | Q | C | -1.1339 | |
| 144 | F | C | 0.0000 | |
| 145 | V | C | -0.3332 | |
| 146 | W | C | 0.0000 | |
| 147 | N | C | -0.2090 | |
| 148 | I | C | 0.0000 | |
| 149 | Y | C | -0.1914 | |
| 150 | A | C | 0.0000 | |
| 151 | N | C | -1.9056 | |
| 152 | N | C | -1.8746 | |
| 153 | D | C | -1.3255 | |
| 154 | V | C | 0.0000 | |
| 155 | V | C | 1.1167 | |
| 156 | V | C | 0.0000 | |
| 157 | P | C | 0.3014 | |
| 158 | T | C | -0.3055 | |
| 1 | F | D | 0.0000 | |
| 2 | A | D | -0.2725 | |
| 3 | C | D | 0.0000 | |
| 4 | K | D | -0.9551 | |
| 5 | T | D | 0.0000 | |
| 6 | A | D | -0.4244 | |
| 7 | N | D | -0.9444 | |
| 8 | G | D | -1.1476 | |
| 9 | T | D | -0.5256 | |
| 10 | A | D | -0.4981 | |
| 11 | I | D | 0.0000 | |
| 12 | P | D | -0.1778 | |
| 13 | I | D | 0.3134 | |
| 14 | G | D | -0.3841 | |
| 15 | G | D | -0.6175 | |
| 16 | G | D | -0.4779 | |
| 17 | S | D | -0.4596 | |
| 18 | A | D | 0.0000 | |
| 19 | N | D | -0.0475 | |
| 20 | V | D | 0.0000 | |
| 21 | Y | D | -0.3799 | |
| 22 | V | D | 0.0000 | |
| 23 | N | D | -1.8031 | |
| 24 | L | D | 0.0000 | |
| 25 | A | D | 0.2057 | |
| 26 | P | D | 0.4723 | |
| 27 | V | D | 1.5244 | |
| 28 | V | D | 0.0000 | |
| 29 | N | D | -0.5875 | |
| 30 | V | D | -0.1672 | |
| 31 | G | D | -0.8549 | |
| 32 | Q | D | -1.2706 | |
| 33 | N | D | -1.3367 | |
| 34 | L | D | 0.0000 | |
| 35 | V | D | 0.8682 | |
| 36 | V | D | 0.0000 | |
| 37 | D | D | -0.8194 | |
| 38 | L | D | 0.0000 | |
| 39 | S | D | -0.5560 | |
| 40 | T | D | -0.4793 | |
| 41 | Q | D | -0.5683 | |
| 42 | I | D | 0.0000 | |
| 43 | F | D | -0.4557 | |
| 44 | C | D | 0.0000 | |
| 45 | H | D | -1.2652 | |
| 46 | N | D | 0.0000 | |
| 47 | D | D | -0.6788 | |
| 48 | Y | D | -0.5979 | |
| 49 | P | D | -1.3836 | |
| 50 | E | D | -1.9922 | |
| 51 | T | D | -0.8617 | |
| 52 | I | D | -0.5583 | |
| 53 | T | D | -0.4797 | |
| 54 | D | D | 0.0000 | |
| 55 | Y | D | -0.6731 | |
| 56 | V | D | 0.0000 | |
| 57 | T | D | -1.3162 | |
| 58 | L | D | 0.0000 | |
| 59 | Q | D | -1.7351 | |
| 60 | R | D | -1.7215 | |
| 61 | G | D | 0.0000 | |
| 62 | S | D | -0.0321 | |
| 63 | A | D | 0.0000 | |
| 64 | Y | D | 0.8924 | |
| 65 | G | D | -0.0314 | |
| 66 | G | D | 0.0367 | |
| 67 | V | D | 0.0000 | |
| 68 | L | D | 1.3104 | |
| 69 | S | D | 0.4566 | |
| 70 | N | D | 0.2242 | |
| 71 | F | D | 0.0000 | |
| 72 | S | D | -0.0425 | |
| 73 | G | D | -0.4148 | |
| 74 | T | D | -0.4139 | |
| 75 | V | D | 0.0000 | |
| 76 | K | D | -1.1057 | |
| 77 | Y | D | 0.0000 | |
| 78 | S | D | -0.9623 | |
| 79 | G | D | -0.9056 | |
| 80 | S | D | -0.7513 | |
| 81 | S | D | -0.6400 | |
| 82 | Y | D | -0.2345 | |
| 83 | P | D | -0.3723 | |
| 84 | F | D | 0.0000 | |
| 85 | P | D | -0.2247 | |
| 86 | T | D | -0.7336 | |
| 87 | T | D | -0.6388 | |
| 88 | S | D | -0.9668 | |
| 89 | E | D | -1.6409 | |
| 90 | T | D | 0.0000 | |
| 91 | P | D | -1.3557 | |
| 92 | R | D | -1.8183 | |
| 93 | V | D | -0.4192 | |
| 94 | V | D | 0.3193 | |
| 95 | Y | D | 0.0000 | |
| 96 | N | D | -1.5233 | |
| 97 | S | D | -1.5166 | |
| 98 | R | D | -1.6257 | |
| 99 | T | D | -1.2056 | |
| 100 | D | D | -1.3953 | |
| 101 | K | D | -1.4072 | |
| 102 | P | D | -0.6716 | |
| 103 | W | D | 0.0000 | |
| 104 | P | D | -0.5894 | |
| 105 | V | D | 0.0000 | |
| 106 | A | D | 0.0000 | |
| 107 | L | D | 0.0000 | |
| 108 | Y | D | 0.0064 | |
| 109 | L | D | 0.0000 | |
| 110 | T | D | -0.4961 | |
| 111 | P | D | 0.0000 | |
| 112 | V | D | 0.5321 | |
| 113 | S | D | 0.0846 | |
| 114 | S | D | -0.1288 | |
| 115 | A | D | 0.0000 | |
| 116 | G | D | -0.2452 | |
| 117 | G | D | 0.2849 | |
| 118 | V | D | 0.8142 | |
| 119 | A | D | 0.0000 | |
| 120 | I | D | 0.0000 | |
| 121 | K | D | -1.9173 | |
| 122 | A | D | -1.6641 | |
| 123 | G | D | -1.1213 | |
| 124 | S | D | -0.7893 | |
| 125 | L | D | 0.0276 | |
| 126 | I | D | 0.0000 | |
| 127 | A | D | 0.0000 | |
| 128 | V | D | 0.0745 | |
| 129 | L | D | 0.0000 | |
| 130 | I | D | 0.0000 | |
| 131 | L | D | 0.0000 | |
| 132 | R | D | -1.6082 | |
| 133 | Q | D | 0.0000 | |
| 134 | T | D | -1.4158 | |
| 135 | N | D | -0.8453 | |
| 136 | N | D | -1.0301 | |
| 137 | Y | D | -0.0276 | |
| 138 | N | D | -1.4130 | |
| 139 | S | D | -1.3887 | |
| 140 | D | D | -1.6822 | |
| 141 | D | D | -2.2300 | |
| 142 | F | D | -1.0957 | |
| 143 | Q | D | -1.2954 | |
| 144 | F | D | 0.0000 | |
| 145 | V | D | -0.2908 | |
| 146 | W | D | 0.0000 | |
| 147 | N | D | -0.0404 | |
| 148 | I | D | 0.0000 | |
| 149 | Y | D | -0.2560 | |
| 150 | A | D | 0.0000 | |
| 151 | N | D | -1.8272 | |
| 152 | N | D | -1.8494 | |
| 153 | D | D | -1.3742 | |
| 154 | V | D | 0.0000 | |
| 155 | V | D | 0.9364 | |
| 156 | V | D | 0.0000 | |
| 157 | P | D | 0.1490 | |
| 158 | T | D | -0.3661 | |
| 1 | F | E | 0.0000 | |
| 2 | A | E | -0.1922 | |
| 3 | C | E | 0.0000 | |
| 4 | K | E | -1.1346 | |
| 5 | T | E | 0.0000 | |
| 6 | A | E | -0.7999 | |
| 7 | N | E | -1.5085 | |
| 8 | G | E | -1.2538 | |
| 9 | T | E | -1.0491 | |
| 10 | A | E | -0.6031 | |
| 11 | I | E | 0.0000 | |
| 12 | P | E | 0.4364 | |
| 13 | I | E | 1.5007 | |
| 14 | G | E | 0.2181 | |
| 15 | G | E | -0.2405 | |
| 16 | G | E | -0.3780 | |
| 17 | S | E | -0.7422 | |
| 18 | A | E | 0.0000 | |
| 19 | N | E | -1.0966 | |
| 20 | V | E | 0.0000 | |
| 21 | Y | E | -0.1799 | |
| 22 | V | E | 0.0000 | |
| 23 | N | E | -1.6947 | |
| 24 | L | E | 0.0000 | |
| 25 | A | E | 0.1770 | |
| 26 | P | E | 0.4787 | |
| 27 | V | E | 1.5766 | |
| 28 | V | E | 0.0000 | |
| 29 | N | E | -0.9500 | |
| 30 | V | E | -0.3268 | |
| 31 | G | E | -1.0976 | |
| 32 | Q | E | -1.6607 | |
| 33 | N | E | -1.5259 | |
| 34 | L | E | 0.0000 | |
| 35 | V | E | 0.7457 | |
| 36 | V | E | 0.0000 | |
| 37 | D | E | -0.6991 | |
| 38 | L | E | 0.0000 | |
| 39 | S | E | -0.5433 | |
| 40 | T | E | -0.4585 | |
| 41 | Q | E | -0.5863 | |
| 42 | I | E | 0.0000 | |
| 43 | F | E | -0.5238 | |
| 44 | C | E | 0.0000 | |
| 45 | H | E | -1.8765 | |
| 46 | N | E | 0.0000 | |
| 47 | D | E | -2.1776 | |
| 48 | Y | E | -1.4271 | |
| 49 | P | E | -1.8238 | |
| 50 | E | E | -2.2547 | |
| 51 | T | E | -0.7872 | |
| 52 | I | E | -0.7088 | |
| 53 | T | E | -0.6565 | |
| 54 | D | E | 0.0000 | |
| 55 | Y | E | -0.7443 | |
| 56 | V | E | 0.0000 | |
| 57 | T | E | -1.2573 | |
| 58 | L | E | 0.0000 | |
| 59 | Q | E | -1.4595 | |
| 60 | R | E | -1.1073 | |
| 61 | G | E | 0.0000 | |
| 62 | S | E | 0.0289 | |
| 63 | A | E | 0.0000 | |
| 64 | Y | E | 0.5132 | |
| 65 | G | E | -0.2918 | |
| 66 | G | E | -0.0286 | |
| 67 | V | E | 0.0000 | |
| 68 | L | E | 1.1902 | |
| 69 | S | E | 0.3651 | |
| 70 | N | E | 0.1800 | |
| 71 | F | E | 0.0000 | |
| 72 | S | E | -0.0836 | |
| 73 | G | E | -0.3774 | |
| 74 | T | E | -0.2678 | |
| 75 | V | E | 0.0000 | |
| 76 | K | E | -1.0735 | |
| 77 | Y | E | 0.0000 | |
| 78 | S | E | -0.9357 | |
| 79 | G | E | -0.8894 | |
| 80 | S | E | -0.7096 | |
| 81 | S | E | -0.5883 | |
| 82 | Y | E | -0.2179 | |
| 83 | P | E | -0.3301 | |
| 84 | F | E | 0.0000 | |
| 85 | P | E | -0.1401 | |
| 86 | T | E | -0.5517 | |
| 87 | T | E | -0.5140 | |
| 88 | S | E | -0.8418 | |
| 89 | E | E | -1.4891 | |
| 90 | T | E | 0.0000 | |
| 91 | P | E | -1.3743 | |
| 92 | R | E | -1.8858 | |
| 93 | V | E | -0.5454 | |
| 94 | V | E | 0.0595 | |
| 95 | Y | E | 0.0000 | |
| 96 | N | E | -1.9912 | |
| 97 | S | E | -2.1327 | |
| 98 | R | E | -2.6020 | |
| 99 | T | E | -1.6936 | |
| 100 | D | E | -1.8642 | |
| 101 | K | E | -1.5837 | |
| 102 | P | E | -0.7045 | |
| 103 | W | E | 0.0000 | |
| 104 | P | E | -0.5885 | |
| 105 | V | E | 0.0000 | |
| 106 | A | E | 0.0000 | |
| 107 | L | E | 0.0000 | |
| 108 | Y | E | -0.0999 | |
| 109 | L | E | 0.0000 | |
| 110 | T | E | -0.6696 | |
| 111 | P | E | 0.0000 | |
| 112 | V | E | 0.3341 | |
| 113 | S | E | -0.0679 | |
| 114 | S | E | -0.1503 | |
| 115 | A | E | -0.0049 | |
| 116 | G | E | -0.1260 | |
| 117 | G | E | 0.6521 | |
| 118 | V | E | 1.2649 | |
| 119 | A | E | 0.0000 | |
| 120 | I | E | 0.0000 | |
| 121 | K | E | -2.0019 | |
| 122 | A | E | -1.8757 | |
| 123 | G | E | -1.2911 | |
| 124 | S | E | -1.2610 | |
| 125 | L | E | 0.0000 | |
| 126 | I | E | 0.0000 | |
| 127 | A | E | 0.0000 | |
| 128 | V | E | 0.0000 | |
| 129 | L | E | 0.0000 | |
| 130 | I | E | 0.0000 | |
| 131 | L | E | 0.0000 | |
| 132 | R | E | -1.4467 | |
| 133 | Q | E | 0.0000 | |
| 134 | T | E | -1.2381 | |
| 135 | N | E | -0.7627 | |
| 136 | N | E | -1.0368 | |
| 137 | Y | E | -0.0211 | |
| 138 | N | E | -1.3496 | |
| 139 | S | E | -1.2612 | |
| 140 | D | E | -1.4478 | |
| 141 | D | E | -1.6963 | |
| 142 | F | E | -0.7168 | |
| 143 | Q | E | -1.2786 | |
| 144 | F | E | 0.0000 | |
| 145 | V | E | 0.0000 | |
| 146 | W | E | 0.0000 | |
| 147 | N | E | 0.0000 | |
| 148 | I | E | 0.0000 | |
| 149 | Y | E | 0.0000 | |
| 150 | A | E | 0.0000 | |
| 151 | N | E | -2.1031 | |
| 152 | N | E | -2.0202 | |
| 153 | D | E | -1.5274 | |
| 154 | V | E | 0.0000 | |
| 155 | V | E | 1.0507 | |
| 156 | V | E | 0.0000 | |
| 157 | P | E | 0.1946 | |
| 158 | T | E | -0.3786 |
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 globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.2619 | 4.0246 | View | CSV | PDB |
| 4.5 | -0.2956 | 3.9834 | View | CSV | PDB |
| 5.0 | -0.3337 | 3.9329 | View | CSV | PDB |
| 5.5 | -0.3703 | 3.8784 | View | CSV | PDB |
| 6.0 | -0.4002 | 3.8226 | View | CSV | PDB |
| 6.5 | -0.4204 | 3.7663 | View | CSV | PDB |
| 7.0 | -0.4322 | 3.71 | View | CSV | PDB |
| 7.5 | -0.4389 | 3.6542 | View | CSV | PDB |
| 8.0 | -0.4425 | 3.5998 | View | CSV | PDB |
| 8.5 | -0.4421 | 3.5495 | View | CSV | PDB |
| 9.0 | -0.4358 | 3.5088 | 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