| Chain sequence(s) |
A: EKTLCDVCLKECSEFSAALNELKEDLETNAKELAGMKKNNNAVAFYAYLSKSLPLNSVSKHTTLKYDLVDLNLGNGYDKQTGLFTAPSNGLYVFNVATGAQDSSHSCLELAVNGVVKDLTWADSMDHVDRAFATTATPMSLNENDKVLARLGEAHGGNELESNKYLRTSFSGFKVQ
C: EKTLCDVCLKECSEFSAALNELKEDLETNAKELAGMKKNNNAVAFYAYLSKSLPLNSVSKHTTLKYDLVDLNLGNGYDKQTGLFTAPSNGLYVFNVATGAQDSSHSCLELAVNGVVKDLTWADSMDHVDRAFATTATPMSLNENDKVLARLGEAHGGNELESNKYLRTSFSGFKVQ B: EKTLCDVCLKECSEFSAALNELKEDLETNAKELAGMKKNNNAVAFYAYLSKSLPLNSVSKHTTLKYDLVDLNLGNGYDKQTGLFTAPSNGLYVFNVATGAQDSSHSCLELAVNGVVKDLTWADSMDHVDRAFATTATPMSLNENDKVLARLGEAHGGNELESNKYLRTSFSGFKVQ input PDB |
| Selected Chain(s) | A,B,C |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| 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 globular. Max score is recommended for pH analysis. (00:00:03)
[INFO] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:03)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ee34c679d6103ea/tmp/folded.pdb (00:00:03)
[INFO] Main: Simulation completed successfully. (00:04:51)
|
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 | E | A | -3.5628 | |
| 2 | K | A | -2.8090 | |
| 3 | T | A | -1.2540 | |
| 4 | L | A | -0.7249 | |
| 5 | C | A | -1.1038 | |
| 6 | D | A | -1.8078 | |
| 7 | V | A | 0.0515 | |
| 8 | C | A | 0.0000 | |
| 9 | L | A | -0.5177 | |
| 10 | K | A | -2.0723 | |
| 11 | E | A | -1.6286 | |
| 12 | C | A | 0.0000 | |
| 13 | S | A | -1.5051 | |
| 14 | E | A | -2.2974 | |
| 15 | F | A | -1.2129 | |
| 16 | S | A | -1.5085 | |
| 17 | A | A | -1.5646 | |
| 18 | A | A | -1.9972 | |
| 19 | L | A | -1.9847 | |
| 20 | N | A | -3.0966 | |
| 21 | E | A | -3.9414 | |
| 22 | L | A | 0.0000 | |
| 23 | K | A | -4.1826 | |
| 24 | E | A | -4.4434 | |
| 25 | D | A | -4.0694 | |
| 26 | L | A | 0.0000 | |
| 27 | E | A | -3.6984 | |
| 28 | T | A | -2.6279 | |
| 29 | N | A | -2.0983 | |
| 30 | A | A | -2.2292 | |
| 31 | K | A | -2.6774 | |
| 32 | E | A | -1.9566 | |
| 33 | L | A | 0.0000 | |
| 34 | A | A | -1.9027 | |
| 35 | G | A | -2.1299 | |
| 36 | M | A | 0.0000 | |
| 37 | K | A | -2.8409 | |
| 38 | K | A | -3.3318 | |
| 39 | N | A | -3.3497 | |
| 40 | N | A | -2.8338 | |
| 41 | N | A | -2.7145 | |
| 42 | A | A | -1.2896 | |
| 43 | V | A | 0.0000 | |
| 44 | A | A | 0.0000 | |
| 45 | F | A | 0.0000 | |
| 46 | Y | A | 0.0000 | |
| 47 | A | A | 0.0000 | |
| 48 | Y | A | -0.7047 | |
| 49 | L | A | 0.0000 | |
| 50 | S | A | -1.3427 | |
| 51 | K | A | -2.1631 | |
| 52 | S | A | -1.2074 | |
| 53 | L | A | -0.8421 | |
| 54 | P | A | -1.1465 | |
| 55 | L | A | 0.0000 | |
| 56 | N | A | -1.7794 | |
| 57 | S | A | -0.9168 | |
| 58 | V | A | -0.7590 | |
| 59 | S | A | -1.3590 | |
| 60 | K | A | -2.1558 | |
| 61 | H | A | -1.5105 | |
| 62 | T | A | -0.9769 | |
| 63 | T | A | -0.7661 | |
| 64 | L | A | 0.0000 | |
| 65 | K | A | -2.5034 | |
| 66 | Y | A | 0.0000 | |
| 67 | D | A | -2.0473 | |
| 68 | L | A | -0.3475 | |
| 69 | V | A | -0.4039 | |
| 70 | D | A | -1.2896 | |
| 71 | L | A | -0.6143 | |
| 72 | N | A | -0.9408 | |
| 73 | L | A | -0.4800 | |
| 74 | G | A | -1.1667 | |
| 75 | N | A | -1.6310 | |
| 76 | G | A | 0.0000 | |
| 77 | Y | A | 0.0000 | |
| 78 | D | A | -2.4437 | |
| 79 | K | A | -2.7371 | |
| 80 | Q | A | -2.6384 | |
| 81 | T | A | -1.7418 | |
| 82 | G | A | 0.0000 | |
| 83 | L | A | -1.0527 | |
| 84 | F | A | 0.0000 | |
| 85 | T | A | -1.9554 | |
| 86 | A | A | 0.0000 | |
| 87 | P | A | -2.0343 | |
| 88 | S | A | -2.7566 | |
| 89 | N | A | -3.0589 | |
| 90 | G | A | -1.6214 | |
| 91 | L | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | V | A | 0.0000 | |
| 94 | F | A | 0.0000 | |
| 95 | N | A | 0.0000 | |
| 96 | V | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | T | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | Q | A | -0.7085 | |
| 102 | D | A | -0.6412 | |
| 103 | S | A | -0.8060 | |
| 104 | S | A | 0.0000 | |
| 105 | H | A | -0.8095 | |
| 106 | S | A | 0.0000 | |
| 107 | C | A | 0.0000 | |
| 108 | L | A | 0.0000 | |
| 109 | E | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | A | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | N | A | -1.5511 | |
| 114 | G | A | -0.4031 | |
| 115 | V | A | 1.2438 | |
| 116 | V | A | 0.5668 | |
| 117 | K | A | -0.2813 | |
| 118 | D | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | T | A | 0.0000 | |
| 121 | W | A | 0.0000 | |
| 122 | A | A | 0.0000 | |
| 123 | D | A | 0.0000 | |
| 124 | S | A | 0.0000 | |
| 125 | M | A | -0.5136 | |
| 126 | D | A | -1.0557 | |
| 127 | H | A | -0.3655 | |
| 128 | V | A | 0.6667 | |
| 129 | D | A | 0.0000 | |
| 130 | R | A | -0.2815 | |
| 131 | A | A | -0.0950 | |
| 132 | F | A | 0.0000 | |
| 133 | A | A | 0.0000 | |
| 134 | T | A | 0.0000 | |
| 135 | T | A | 0.0000 | |
| 136 | A | A | 0.0000 | |
| 137 | T | A | 0.0000 | |
| 138 | P | A | 0.0000 | |
| 139 | M | A | 0.0000 | |
| 140 | S | A | -0.8503 | |
| 141 | L | A | 0.0000 | |
| 142 | N | A | -3.3867 | |
| 143 | E | A | -3.8565 | |
| 144 | N | A | -3.3147 | |
| 145 | D | A | -2.9366 | |
| 146 | K | A | -2.5527 | |
| 147 | V | A | 0.0000 | |
| 148 | L | A | -0.5058 | |
| 149 | A | A | 0.0000 | |
| 150 | R | A | -0.9268 | |
| 151 | L | A | 0.0000 | |
| 152 | G | A | 0.0000 | |
| 153 | E | A | -1.9872 | |
| 154 | A | A | -1.1928 | |
| 155 | H | A | -1.1579 | |
| 156 | G | A | -0.8960 | |
| 157 | G | A | -1.5678 | |
| 158 | N | A | -1.9782 | |
| 159 | E | A | -1.5519 | |
| 160 | L | A | 0.0000 | |
| 161 | E | A | 0.0000 | |
| 162 | S | A | 0.0000 | |
| 163 | N | A | -1.8841 | |
| 164 | K | A | -2.2864 | |
| 165 | Y | A | -1.0041 | |
| 166 | L | A | 0.0000 | |
| 167 | R | A | -0.8332 | |
| 168 | T | A | 0.0000 | |
| 169 | S | A | 0.0000 | |
| 170 | F | A | 0.0000 | |
| 171 | S | A | 0.0000 | |
| 172 | G | A | 0.0000 | |
| 173 | F | A | 0.0000 | |
| 174 | K | A | 0.0000 | |
| 175 | V | A | 0.0000 | |
| 176 | Q | A | -1.3073 | |
| 1 | E | B | -3.5443 | |
| 2 | K | B | -2.7853 | |
| 3 | T | B | -1.2119 | |
| 4 | L | B | -0.6469 | |
| 5 | C | B | -1.0735 | |
| 6 | D | B | -1.7739 | |
| 7 | V | B | 0.1007 | |
| 8 | C | B | 0.0000 | |
| 9 | L | B | -0.5170 | |
| 10 | K | B | -2.0693 | |
| 11 | E | B | -1.6148 | |
| 12 | C | B | 0.0000 | |
| 13 | S | B | -1.5192 | |
| 14 | E | B | -2.3275 | |
| 15 | F | B | -1.2370 | |
| 16 | S | B | -1.5647 | |
| 17 | A | B | -1.6045 | |
| 18 | A | B | -1.8435 | |
| 19 | L | B | 0.0000 | |
| 20 | N | B | -3.1550 | |
| 21 | E | B | -3.9861 | |
| 22 | L | B | 0.0000 | |
| 23 | K | B | -4.2000 | |
| 24 | E | B | -4.4737 | |
| 25 | D | B | -4.1238 | |
| 26 | L | B | 0.0000 | |
| 27 | E | B | -3.7302 | |
| 28 | T | B | -2.6365 | |
| 29 | N | B | -2.1031 | |
| 30 | A | B | -2.2396 | |
| 31 | K | B | -2.6790 | |
| 32 | E | B | -1.9356 | |
| 33 | L | B | 0.0000 | |
| 34 | A | B | -1.8924 | |
| 35 | G | B | -2.1199 | |
| 36 | M | B | 0.0000 | |
| 37 | K | B | -2.8372 | |
| 38 | K | B | -3.3320 | |
| 39 | N | B | -3.3691 | |
| 40 | N | B | -2.8781 | |
| 41 | N | B | -2.7151 | |
| 42 | A | B | -1.2848 | |
| 43 | V | B | 0.0000 | |
| 44 | A | B | 0.0000 | |
| 45 | F | B | 0.0000 | |
| 46 | Y | B | 0.0000 | |
| 47 | A | B | 0.0000 | |
| 48 | Y | B | -0.6908 | |
| 49 | L | B | 0.0000 | |
| 50 | S | B | -1.2900 | |
| 51 | K | B | -2.1327 | |
| 52 | S | B | -1.1758 | |
| 53 | L | B | -0.8220 | |
| 54 | P | B | -1.1457 | |
| 55 | L | B | 0.0000 | |
| 56 | N | B | -1.7920 | |
| 57 | S | B | -0.9255 | |
| 58 | V | B | -0.7776 | |
| 59 | S | B | -1.3661 | |
| 60 | K | B | -2.1685 | |
| 61 | H | B | -1.5140 | |
| 62 | T | B | -0.9901 | |
| 63 | T | B | -0.7691 | |
| 64 | L | B | 0.0000 | |
| 65 | K | B | -2.5869 | |
| 66 | Y | B | 0.0000 | |
| 67 | D | B | -2.1453 | |
| 68 | L | B | -0.3984 | |
| 69 | V | B | -0.4577 | |
| 70 | D | B | -1.3176 | |
| 71 | L | B | -0.6231 | |
| 72 | N | B | -0.9193 | |
| 73 | L | B | -0.4658 | |
| 74 | G | B | -1.1519 | |
| 75 | N | B | -1.5998 | |
| 76 | G | B | 0.0000 | |
| 77 | Y | B | 0.0000 | |
| 78 | D | B | -2.4764 | |
| 79 | K | B | -3.0156 | |
| 80 | Q | B | -2.7658 | |
| 81 | T | B | -1.7991 | |
| 82 | G | B | 0.0000 | |
| 83 | L | B | -1.0776 | |
| 84 | F | B | 0.0000 | |
| 85 | T | B | -1.9338 | |
| 86 | A | B | 0.0000 | |
| 87 | P | B | -2.0316 | |
| 88 | S | B | -2.7678 | |
| 89 | N | B | -3.0656 | |
| 90 | G | B | -1.6330 | |
| 91 | L | B | 0.0000 | |
| 92 | Y | B | 0.0000 | |
| 93 | V | B | 0.0000 | |
| 94 | F | B | 0.0000 | |
| 95 | N | B | 0.0000 | |
| 96 | V | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | T | B | 0.0000 | |
| 99 | G | B | 0.0000 | |
| 100 | A | B | 0.0000 | |
| 101 | Q | B | -0.7023 | |
| 102 | D | B | -0.6388 | |
| 103 | S | B | -0.7956 | |
| 104 | S | B | 0.0000 | |
| 105 | H | B | -0.8034 | |
| 106 | S | B | 0.0000 | |
| 107 | C | B | 0.0000 | |
| 108 | L | B | 0.0000 | |
| 109 | E | B | 0.0000 | |
| 110 | L | B | 0.0000 | |
| 111 | A | B | 0.0000 | |
| 112 | V | B | 0.0000 | |
| 113 | N | B | -1.5580 | |
| 114 | G | B | -0.4100 | |
| 115 | V | B | 1.2330 | |
| 116 | V | B | 0.5448 | |
| 117 | K | B | -0.3103 | |
| 118 | D | B | 0.0000 | |
| 119 | L | B | 0.0000 | |
| 120 | T | B | 0.0000 | |
| 121 | W | B | 0.0000 | |
| 122 | A | B | 0.0000 | |
| 123 | D | B | 0.0000 | |
| 124 | S | B | 0.0000 | |
| 125 | M | B | -0.4949 | |
| 126 | D | B | -1.0499 | |
| 127 | H | B | -0.3559 | |
| 128 | V | B | 0.6617 | |
| 129 | D | B | 0.0000 | |
| 130 | R | B | -0.2755 | |
| 131 | A | B | -0.0907 | |
| 132 | F | B | 0.0000 | |
| 133 | A | B | 0.0000 | |
| 134 | T | B | 0.0000 | |
| 135 | T | B | 0.0000 | |
| 136 | A | B | 0.0000 | |
| 137 | T | B | 0.0000 | |
| 138 | P | B | 0.0000 | |
| 139 | M | B | 0.0000 | |
| 140 | S | B | -0.8496 | |
| 141 | L | B | 0.0000 | |
| 142 | N | B | -3.3800 | |
| 143 | E | B | -3.8573 | |
| 144 | N | B | -3.3072 | |
| 145 | D | B | -2.9352 | |
| 146 | K | B | -2.5548 | |
| 147 | V | B | 0.0000 | |
| 148 | L | B | -0.5064 | |
| 149 | A | B | 0.0000 | |
| 150 | R | B | -0.9328 | |
| 151 | L | B | 0.0000 | |
| 152 | G | B | 0.0000 | |
| 153 | E | B | -1.9492 | |
| 154 | A | B | -1.1734 | |
| 155 | H | B | -1.1528 | |
| 156 | G | B | -0.9099 | |
| 157 | G | B | -1.5717 | |
| 158 | N | B | -1.9990 | |
| 159 | E | B | -1.5547 | |
| 160 | L | B | 0.0000 | |
| 161 | E | B | 0.0000 | |
| 162 | S | B | 0.0000 | |
| 163 | N | B | -1.8534 | |
| 164 | K | B | -2.2140 | |
| 165 | Y | B | -0.9627 | |
| 166 | L | B | 0.0000 | |
| 167 | R | B | 0.0000 | |
| 168 | T | B | 0.0000 | |
| 169 | S | B | 0.0000 | |
| 170 | F | B | 0.0000 | |
| 171 | S | B | 0.0000 | |
| 172 | G | B | 0.0000 | |
| 173 | F | B | 0.0000 | |
| 174 | K | B | 0.0000 | |
| 175 | V | B | 0.0000 | |
| 176 | Q | B | -1.3134 | |
| 1 | E | C | -3.5572 | |
| 2 | K | C | -2.7998 | |
| 3 | T | C | -1.2594 | |
| 4 | L | C | -0.7169 | |
| 5 | C | C | -1.0864 | |
| 6 | D | C | -1.7989 | |
| 7 | V | C | 0.0434 | |
| 8 | C | C | 0.0000 | |
| 9 | L | C | -0.5048 | |
| 10 | K | C | -2.0821 | |
| 11 | E | C | -1.6248 | |
| 12 | C | C | 0.0000 | |
| 13 | S | C | -1.5040 | |
| 14 | E | C | -2.3032 | |
| 15 | F | C | -1.1933 | |
| 16 | S | C | -1.5200 | |
| 17 | A | C | -1.5655 | |
| 18 | A | C | -1.9689 | |
| 19 | L | C | -1.8699 | |
| 20 | N | C | -3.1000 | |
| 21 | E | C | -3.9519 | |
| 22 | L | C | 0.0000 | |
| 23 | K | C | -4.2241 | |
| 24 | E | C | -4.4687 | |
| 25 | D | C | -4.0887 | |
| 26 | L | C | 0.0000 | |
| 27 | E | C | -3.7609 | |
| 28 | T | C | -2.6379 | |
| 29 | N | C | -2.1056 | |
| 30 | A | C | -2.2470 | |
| 31 | K | C | -2.6808 | |
| 32 | E | C | -2.1194 | |
| 33 | L | C | 0.0000 | |
| 34 | A | C | -1.8671 | |
| 35 | G | C | -2.0825 | |
| 36 | M | C | 0.0000 | |
| 37 | K | C | -2.7768 | |
| 38 | K | C | -3.3195 | |
| 39 | N | C | -3.2209 | |
| 40 | N | C | -2.7547 | |
| 41 | N | C | -2.6802 | |
| 42 | A | C | -1.3389 | |
| 43 | V | C | 0.0000 | |
| 44 | A | C | 0.0000 | |
| 45 | F | C | 0.0000 | |
| 46 | Y | C | 0.0000 | |
| 47 | A | C | 0.0000 | |
| 48 | Y | C | -0.6923 | |
| 49 | L | C | 0.0000 | |
| 50 | S | C | -1.3056 | |
| 51 | K | C | -2.1515 | |
| 52 | S | C | -1.2009 | |
| 53 | L | C | -0.8353 | |
| 54 | P | C | -1.1529 | |
| 55 | L | C | 0.0000 | |
| 56 | N | C | -1.7862 | |
| 57 | S | C | -0.9254 | |
| 58 | V | C | -0.7563 | |
| 59 | S | C | -1.3845 | |
| 60 | K | C | -2.2047 | |
| 61 | H | C | -1.5448 | |
| 62 | T | C | -0.9985 | |
| 63 | T | C | -0.7875 | |
| 64 | L | C | 0.0000 | |
| 65 | K | C | -2.5445 | |
| 66 | Y | C | 0.0000 | |
| 67 | D | C | -2.0118 | |
| 68 | L | C | -0.2936 | |
| 69 | V | C | -0.3935 | |
| 70 | D | C | -1.2499 | |
| 71 | L | C | -0.6190 | |
| 72 | N | C | -0.9472 | |
| 73 | L | C | -0.6275 | |
| 74 | G | C | -1.1557 | |
| 75 | N | C | -1.6291 | |
| 76 | G | C | 0.0000 | |
| 77 | Y | C | 0.0000 | |
| 78 | D | C | -2.4859 | |
| 79 | K | C | -2.7651 | |
| 80 | Q | C | -2.6655 | |
| 81 | T | C | -1.7625 | |
| 82 | G | C | 0.0000 | |
| 83 | L | C | -1.0927 | |
| 84 | F | C | 0.0000 | |
| 85 | T | C | -1.9612 | |
| 86 | A | C | 0.0000 | |
| 87 | P | C | -2.0135 | |
| 88 | S | C | -2.7588 | |
| 89 | N | C | -3.0423 | |
| 90 | G | C | -1.6144 | |
| 91 | L | C | 0.0000 | |
| 92 | Y | C | 0.0000 | |
| 93 | V | C | 0.0000 | |
| 94 | F | C | 0.0000 | |
| 95 | N | C | 0.0000 | |
| 96 | V | C | 0.0000 | |
| 97 | A | C | 0.0000 | |
| 98 | T | C | 0.0000 | |
| 99 | G | C | 0.0000 | |
| 100 | A | C | 0.0000 | |
| 101 | Q | C | -0.6832 | |
| 102 | D | C | -0.6189 | |
| 103 | S | C | -0.7984 | |
| 104 | S | C | 0.0000 | |
| 105 | H | C | -0.8063 | |
| 106 | S | C | 0.0000 | |
| 107 | C | C | 0.0000 | |
| 108 | L | C | 0.0000 | |
| 109 | E | C | 0.0000 | |
| 110 | L | C | 0.0000 | |
| 111 | A | C | 0.0000 | |
| 112 | V | C | 0.0000 | |
| 113 | N | C | -1.5547 | |
| 114 | G | C | -0.4099 | |
| 115 | V | C | 1.2322 | |
| 116 | V | C | 0.7243 | |
| 117 | K | C | -0.3108 | |
| 118 | D | C | 0.0000 | |
| 119 | L | C | 0.0000 | |
| 120 | T | C | 0.0000 | |
| 121 | W | C | 0.0000 | |
| 122 | A | C | 0.0000 | |
| 123 | D | C | 0.0000 | |
| 124 | S | C | 0.0000 | |
| 125 | M | C | -0.5021 | |
| 126 | D | C | -1.0520 | |
| 127 | H | C | -0.3581 | |
| 128 | V | C | 0.6720 | |
| 129 | D | C | 0.0000 | |
| 130 | R | C | -0.2661 | |
| 131 | A | C | -0.0889 | |
| 132 | F | C | 0.0000 | |
| 133 | A | C | 0.0000 | |
| 134 | T | C | 0.0000 | |
| 135 | T | C | 0.0000 | |
| 136 | A | C | 0.0000 | |
| 137 | T | C | 0.0000 | |
| 138 | P | C | 0.0000 | |
| 139 | M | C | 0.0000 | |
| 140 | S | C | -0.8452 | |
| 141 | L | C | 0.0000 | |
| 142 | N | C | -3.3747 | |
| 143 | E | C | -3.8463 | |
| 144 | N | C | -3.3070 | |
| 145 | D | C | -2.9348 | |
| 146 | K | C | -2.5608 | |
| 147 | V | C | 0.0000 | |
| 148 | L | C | -0.5212 | |
| 149 | A | C | 0.0000 | |
| 150 | R | C | -0.9543 | |
| 151 | L | C | 0.0000 | |
| 152 | G | C | 0.0000 | |
| 153 | E | C | -2.0734 | |
| 154 | A | C | -1.2310 | |
| 155 | H | C | -1.1850 | |
| 156 | G | C | -0.9071 | |
| 157 | G | C | -1.5701 | |
| 158 | N | C | -1.9866 | |
| 159 | E | C | -1.5764 | |
| 160 | L | C | 0.0000 | |
| 161 | E | C | 0.0000 | |
| 162 | S | C | 0.0000 | |
| 163 | N | C | -1.9024 | |
| 164 | K | C | -2.2386 | |
| 165 | Y | C | -0.9844 | |
| 166 | L | C | 0.0000 | |
| 167 | R | C | -0.8383 | |
| 168 | T | C | 0.0000 | |
| 169 | S | C | 0.0000 | |
| 170 | F | C | 0.0000 | |
| 171 | S | C | 0.0000 | |
| 172 | G | C | 0.0000 | |
| 173 | F | C | 0.0000 | |
| 174 | K | C | 0.0000 | |
| 175 | V | C | 0.0000 | |
| 176 | Q | C | -1.2774 |
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 | -0.9201 | 1.3483 | View | CSV | PDB |
| 4.5 | -0.9919 | 1.1864 | View | CSV | PDB |
| 5.0 | -1.0809 | 1.1839 | View | CSV | PDB |
| 5.5 | -1.168 | 1.1879 | View | CSV | PDB |
| 6.0 | -1.2311 | 1.198 | View | CSV | PDB |
| 6.5 | -1.2548 | 1.2172 | View | CSV | PDB |
| 7.0 | -1.2395 | 1.2444 | View | CSV | PDB |
| 7.5 | -1.1976 | 1.276 | View | CSV | PDB |
| 8.0 | -1.1414 | 1.3093 | View | CSV | PDB |
| 8.5 | -1.0756 | 1.3431 | View | CSV | PDB |
| 9.0 | -1.0002 | 1.3769 | 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