| Chain sequence(s) |
A: EKTLCDVCLKECSEFSAALNELKEDLETNAKELAGMKKNNNAVAFYAYLSKSLPLNSVSKHTTLKYDLVDLNLGNGYDKQTGLFTAPSNGLYVFNVATGAQDSSHSCLELAVNGVVKDLTWADSMDHVDRAFATTATPMSLNENDKVLARLGEAHGGNELESNKYLRTSFSGFKVQ
C: EKTLCDVCLKECSEFSAALNELKEDLETNAKELAGMKKNNNAVAFYAYLSKSLPLNSVSKHTTLKYDLVDLNLGNGYDKQTGLFTAPSNGLYVFNVATGAQDSSHSCLELAVNGVVKDLTWADSMDHVDRAFATTATPMSLNENDKVLARLGEAHGGNELESNKYLRTSFSGFKVQ B: EKTLCDVCLKECSEFSAALNELKEDLETNAKELAGMKKNNNAVAFYAYLSKSLPLNSVSKHTTLKYDLVDLNLGNGYDKQTGLFTAPSNGLYVFNVATGAQDSSHSCLELAVNGVVKDLTWADSMDHVDRAFATTATPMSLNENDKVLARLGEAHGGNELESNKYLRTSFSGFKVQ input PDB |
| Selected Chain(s) | A,B,C |
| 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] (00:00:09)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:09)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:09)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:09)
[INFO] PDB: Running AlphaCutter (00:00:09)
[INFO] PDB: AlphaCutter did not cut any residues. The original structure will be used
for analysis. (00:00:47)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:49)
[INFO] FoldX: Starting FoldX energy minimization (00:00:49)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:58)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d9f82a0e78d71ed/tmp/folded.pdb (00:10:58)
[INFO] Main: Simulation completed successfully. (00:14:58)
|
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 | -3.6535 | |
| 2 | K | A | -2.9787 | |
| 3 | T | A | -1.4571 | |
| 4 | L | A | -0.9726 | |
| 5 | C | A | 0.0000 | |
| 6 | D | A | -2.1520 | |
| 7 | V | A | -0.6457 | |
| 8 | C | A | 0.0000 | |
| 9 | L | A | -1.1046 | |
| 10 | K | A | -2.7632 | |
| 11 | E | A | -2.8741 | |
| 12 | C | A | 0.0000 | |
| 13 | S | A | -2.0655 | |
| 14 | E | A | -2.8610 | |
| 15 | F | A | 0.0000 | |
| 16 | S | A | -1.9862 | |
| 17 | A | A | -1.8803 | |
| 18 | A | A | -2.2401 | |
| 19 | L | A | 0.0000 | |
| 20 | N | A | -3.3794 | |
| 21 | E | A | -4.2053 | |
| 22 | L | A | 0.0000 | |
| 23 | K | A | -4.8511 | |
| 24 | E | A | -4.8270 | |
| 25 | D | A | -4.4266 | |
| 26 | L | A | 0.0000 | |
| 27 | E | A | -4.2962 | |
| 28 | T | A | -2.9222 | |
| 29 | N | A | -2.2652 | |
| 30 | A | A | -2.4637 | |
| 31 | K | A | -2.8302 | |
| 32 | E | A | -2.1472 | |
| 33 | L | A | 0.0000 | |
| 34 | A | A | -1.9528 | |
| 35 | G | A | -2.1117 | |
| 36 | M | A | 0.0000 | |
| 37 | K | A | -2.9202 | |
| 38 | K | A | -3.3426 | |
| 39 | N | A | -3.3602 | |
| 40 | N | A | -2.8740 | |
| 41 | N | A | -2.7387 | |
| 42 | A | A | -1.2910 | |
| 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 | -0.5833 | |
| 49 | L | A | 0.0000 | |
| 50 | S | A | -1.2117 | |
| 51 | K | A | -2.1248 | |
| 52 | S | A | -1.1972 | |
| 53 | L | A | -0.8103 | |
| 54 | P | A | -1.1101 | |
| 55 | L | A | 0.0000 | |
| 56 | N | A | -1.6980 | |
| 57 | S | A | -0.8960 | |
| 58 | V | A | -0.8373 | |
| 59 | S | A | -1.5834 | |
| 60 | K | A | -2.6779 | |
| 61 | H | A | -2.0294 | |
| 62 | T | A | -1.1291 | |
| 63 | T | A | -0.7617 | |
| 64 | L | A | 0.0000 | |
| 65 | K | A | -2.1582 | |
| 66 | Y | A | 0.0000 | |
| 67 | D | A | -1.8103 | |
| 68 | L | A | -0.2839 | |
| 69 | V | A | -0.2903 | |
| 70 | D | A | -0.8922 | |
| 71 | L | A | 0.0000 | |
| 72 | N | A | -0.8656 | |
| 73 | L | A | -0.4947 | |
| 74 | G | A | -1.1773 | |
| 75 | N | A | -1.6443 | |
| 76 | G | A | 0.0000 | |
| 77 | Y | A | 0.0000 | |
| 78 | D | A | -2.5675 | |
| 79 | K | A | -2.9300 | |
| 80 | Q | A | -2.6715 | |
| 81 | T | A | -1.7180 | |
| 82 | G | A | 0.0000 | |
| 83 | L | A | -0.9081 | |
| 84 | F | A | 0.0000 | |
| 85 | T | A | -1.7258 | |
| 86 | A | A | 0.0000 | |
| 87 | P | A | -1.9747 | |
| 88 | S | A | -2.7530 | |
| 89 | N | A | -3.0509 | |
| 90 | G | A | -1.6088 | |
| 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 | -0.6549 | |
| 102 | D | A | -0.5969 | |
| 103 | S | A | -0.6712 | |
| 104 | S | A | 0.0000 | |
| 105 | H | A | -0.7071 | |
| 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 | -1.3492 | |
| 114 | G | A | -0.3354 | |
| 115 | V | A | 1.2646 | |
| 116 | V | A | 0.6117 | |
| 117 | K | A | -0.2738 | |
| 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 | -0.3582 | |
| 126 | D | A | -1.0310 | |
| 127 | H | A | -0.4202 | |
| 128 | V | A | 0.6431 | |
| 129 | D | A | 0.0000 | |
| 130 | R | A | -0.3244 | |
| 131 | A | A | -0.1249 | |
| 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 | -0.8713 | |
| 141 | L | A | 0.0000 | |
| 142 | N | A | -3.3081 | |
| 143 | E | A | -3.7708 | |
| 144 | N | A | -3.1506 | |
| 145 | D | A | -2.6335 | |
| 146 | K | A | -1.9693 | |
| 147 | V | A | 0.0000 | |
| 148 | L | A | -0.3040 | |
| 149 | A | A | 0.0000 | |
| 150 | R | A | -1.0509 | |
| 151 | L | A | 0.0000 | |
| 152 | G | A | 0.0000 | |
| 153 | E | A | -2.7589 | |
| 154 | A | A | -1.5804 | |
| 155 | H | A | -1.2512 | |
| 156 | G | A | -0.7438 | |
| 157 | G | A | -1.2809 | |
| 158 | N | A | -1.6749 | |
| 159 | E | A | -1.4597 | |
| 160 | L | A | 0.0000 | |
| 161 | E | A | 0.0000 | |
| 162 | S | A | 0.0000 | |
| 163 | N | A | -1.8449 | |
| 164 | K | A | -2.2681 | |
| 165 | Y | A | -1.0107 | |
| 166 | L | A | 0.0000 | |
| 167 | R | A | -0.8301 | |
| 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 | -1.3205 | |
| 1 | E | B | -3.4979 | |
| 2 | K | B | -2.5883 | |
| 3 | T | B | -0.9701 | |
| 4 | L | B | -0.6066 | |
| 5 | C | B | -0.7777 | |
| 6 | D | B | -0.6172 | |
| 7 | V | B | 0.3973 | |
| 8 | C | B | 0.0000 | |
| 9 | L | B | -0.4317 | |
| 10 | K | B | -1.9188 | |
| 11 | E | B | -1.7244 | |
| 12 | C | B | -1.4435 | |
| 13 | S | B | -1.7726 | |
| 14 | E | B | -2.4777 | |
| 15 | F | B | -1.5477 | |
| 16 | S | B | -1.9069 | |
| 17 | A | B | -1.6999 | |
| 18 | A | B | -1.8837 | |
| 19 | L | B | 0.0000 | |
| 20 | N | B | -3.1977 | |
| 21 | E | B | -4.0852 | |
| 22 | L | B | 0.0000 | |
| 23 | K | B | -4.2874 | |
| 24 | E | B | -4.6609 | |
| 25 | D | B | -4.4874 | |
| 26 | L | B | 0.0000 | |
| 27 | E | B | -4.1163 | |
| 28 | T | B | -2.8473 | |
| 29 | N | B | 0.0000 | |
| 30 | A | B | -2.3787 | |
| 31 | K | B | -2.7970 | |
| 32 | E | B | -2.0212 | |
| 33 | L | B | 0.0000 | |
| 34 | A | B | -1.9680 | |
| 35 | G | B | -2.1021 | |
| 36 | M | B | 0.0000 | |
| 37 | K | B | -3.0500 | |
| 38 | K | B | -3.4037 | |
| 39 | N | B | -3.4118 | |
| 40 | N | B | -2.9783 | |
| 41 | N | B | -2.7840 | |
| 42 | A | B | -1.3034 | |
| 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 | -0.6695 | |
| 49 | L | B | 0.0000 | |
| 50 | S | B | -1.2027 | |
| 51 | K | B | -2.0996 | |
| 52 | S | B | -1.2188 | |
| 53 | L | B | -0.8754 | |
| 54 | P | B | -1.2115 | |
| 55 | L | B | 0.0000 | |
| 56 | N | B | -1.7900 | |
| 57 | S | B | -0.9520 | |
| 58 | V | B | -0.8718 | |
| 59 | S | B | -1.5493 | |
| 60 | K | B | -2.5478 | |
| 61 | H | B | -1.9221 | |
| 62 | T | B | -1.1762 | |
| 63 | T | B | -0.8422 | |
| 64 | L | B | 0.0000 | |
| 65 | K | B | -2.3875 | |
| 66 | Y | B | 0.0000 | |
| 67 | D | B | -1.8156 | |
| 68 | L | B | -0.3444 | |
| 69 | V | B | -0.4431 | |
| 70 | D | B | -1.4549 | |
| 71 | L | B | -0.7007 | |
| 72 | N | B | -0.9178 | |
| 73 | L | B | -0.4731 | |
| 74 | G | B | -1.1683 | |
| 75 | N | B | -1.5858 | |
| 76 | G | B | 0.0000 | |
| 77 | Y | B | 0.0000 | |
| 78 | D | B | -2.1875 | |
| 79 | K | B | -2.5829 | |
| 80 | Q | B | -2.5258 | |
| 81 | T | B | -1.6240 | |
| 82 | G | B | 0.0000 | |
| 83 | L | B | -0.7878 | |
| 84 | F | B | 0.0000 | |
| 85 | T | B | -1.7084 | |
| 86 | A | B | 0.0000 | |
| 87 | P | B | -1.9934 | |
| 88 | S | B | -2.7752 | |
| 89 | N | B | -3.0826 | |
| 90 | G | B | -1.6586 | |
| 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 | -0.8114 | |
| 102 | D | B | -0.7703 | |
| 103 | S | B | -0.7670 | |
| 104 | S | B | 0.0000 | |
| 105 | H | B | -0.7466 | |
| 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 | -0.1603 | |
| 113 | N | B | -1.2841 | |
| 114 | G | B | -0.2668 | |
| 115 | V | B | 1.3596 | |
| 116 | V | B | 0.7084 | |
| 117 | K | B | 0.0782 | |
| 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 | -0.3256 | |
| 126 | D | B | -0.9642 | |
| 127 | H | B | -0.3507 | |
| 128 | V | B | 0.6218 | |
| 129 | D | B | 0.0000 | |
| 130 | R | B | -0.3649 | |
| 131 | A | B | -0.1330 | |
| 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 | -0.7742 | |
| 141 | L | B | 0.0000 | |
| 142 | N | B | -3.3345 | |
| 143 | E | B | -3.8071 | |
| 144 | N | B | -3.2011 | |
| 145 | D | B | -2.6904 | |
| 146 | K | B | -2.0043 | |
| 147 | V | B | 0.0000 | |
| 148 | L | B | -0.3103 | |
| 149 | A | B | 0.0000 | |
| 150 | R | B | -1.0485 | |
| 151 | L | B | 0.0000 | |
| 152 | G | B | 0.0000 | |
| 153 | E | B | -2.2963 | |
| 154 | A | B | -1.3450 | |
| 155 | H | B | -1.1645 | |
| 156 | G | B | -0.8088 | |
| 157 | G | B | -1.4510 | |
| 158 | N | B | -2.0346 | |
| 159 | E | B | -1.6410 | |
| 160 | L | B | 0.0000 | |
| 161 | E | B | 0.0000 | |
| 162 | S | B | 0.0000 | |
| 163 | N | B | -1.8233 | |
| 164 | K | B | -2.3281 | |
| 165 | Y | B | -1.1595 | |
| 166 | L | B | 0.0000 | |
| 167 | R | B | -0.8138 | |
| 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 | -1.3712 | |
| 1 | E | C | -3.4986 | |
| 2 | K | C | -2.5935 | |
| 3 | T | C | -0.9388 | |
| 4 | L | C | -0.6339 | |
| 5 | C | C | -0.7836 | |
| 6 | D | C | -0.7013 | |
| 7 | V | C | 0.4837 | |
| 8 | C | C | 0.0000 | |
| 9 | L | C | -0.4360 | |
| 10 | K | C | -2.0603 | |
| 11 | E | C | -2.0333 | |
| 12 | C | C | 0.0000 | |
| 13 | S | C | -1.8224 | |
| 14 | E | C | -2.6664 | |
| 15 | F | C | 0.0000 | |
| 16 | S | C | -1.7652 | |
| 17 | A | C | -1.6861 | |
| 18 | A | C | -2.1380 | |
| 19 | L | C | 0.0000 | |
| 20 | N | C | -3.0209 | |
| 21 | E | C | -4.1315 | |
| 22 | L | C | 0.0000 | |
| 23 | K | C | -4.4505 | |
| 24 | E | C | -4.8045 | |
| 25 | D | C | -4.8217 | |
| 26 | L | C | 0.0000 | |
| 27 | E | C | -4.2958 | |
| 28 | T | C | -2.9965 | |
| 29 | N | C | 0.0000 | |
| 30 | A | C | -2.4476 | |
| 31 | K | C | -2.8540 | |
| 32 | E | C | -2.2591 | |
| 33 | L | C | 0.0000 | |
| 34 | A | C | -1.8977 | |
| 35 | G | C | -2.0574 | |
| 36 | M | C | 0.0000 | |
| 37 | K | C | -2.8213 | |
| 38 | K | C | -3.3284 | |
| 39 | N | C | -3.2188 | |
| 40 | N | C | -2.6643 | |
| 41 | N | C | -2.6612 | |
| 42 | A | C | -1.3309 | |
| 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 | -0.5593 | |
| 49 | L | C | 0.0000 | |
| 50 | S | C | -1.2401 | |
| 51 | K | C | -2.1360 | |
| 52 | S | C | -1.2567 | |
| 53 | L | C | -0.9590 | |
| 54 | P | C | -1.2715 | |
| 55 | L | C | 0.0000 | |
| 56 | N | C | -1.7965 | |
| 57 | S | C | -0.9482 | |
| 58 | V | C | -0.8487 | |
| 59 | S | C | -1.5564 | |
| 60 | K | C | -2.5775 | |
| 61 | H | C | -2.0399 | |
| 62 | T | C | -1.2358 | |
| 63 | T | C | -0.8764 | |
| 64 | L | C | 0.0000 | |
| 65 | K | C | -2.4259 | |
| 66 | Y | C | 0.0000 | |
| 67 | D | C | -1.7621 | |
| 68 | L | C | -0.1754 | |
| 69 | V | C | 0.0019 | |
| 70 | D | C | -0.4157 | |
| 71 | L | C | -0.2280 | |
| 72 | N | C | -0.6804 | |
| 73 | L | C | -0.5309 | |
| 74 | G | C | -1.1577 | |
| 75 | N | C | -1.5550 | |
| 76 | G | C | 0.0000 | |
| 77 | Y | C | 0.0000 | |
| 78 | D | C | -2.1195 | |
| 79 | K | C | -2.6194 | |
| 80 | Q | C | -2.5349 | |
| 81 | T | C | -1.6291 | |
| 82 | G | C | 0.0000 | |
| 83 | L | C | -0.8426 | |
| 84 | F | C | 0.0000 | |
| 85 | T | C | -1.7602 | |
| 86 | A | C | 0.0000 | |
| 87 | P | C | -1.9868 | |
| 88 | S | C | -2.7914 | |
| 89 | N | C | -3.0697 | |
| 90 | G | C | -1.6339 | |
| 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 | -0.7206 | |
| 102 | D | C | -0.7162 | |
| 103 | S | C | -0.8084 | |
| 104 | S | C | 0.0000 | |
| 105 | H | C | -0.7834 | |
| 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 | -1.4395 | |
| 114 | G | C | -0.3882 | |
| 115 | V | C | 1.2532 | |
| 116 | V | C | 0.7731 | |
| 117 | K | C | -0.1855 | |
| 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 | -0.4418 | |
| 126 | D | C | -1.0417 | |
| 127 | H | C | -0.3555 | |
| 128 | V | C | 0.6660 | |
| 129 | D | C | 0.0000 | |
| 130 | R | C | -0.2618 | |
| 131 | A | C | -0.1011 | |
| 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 | -0.8592 | |
| 141 | L | C | 0.0000 | |
| 142 | N | C | -3.3568 | |
| 143 | E | C | -3.8177 | |
| 144 | N | C | -3.2348 | |
| 145 | D | C | -2.8041 | |
| 146 | K | C | -2.2024 | |
| 147 | V | C | 0.0000 | |
| 148 | L | C | -0.3964 | |
| 149 | A | C | 0.0000 | |
| 150 | R | C | -1.0507 | |
| 151 | L | C | 0.0000 | |
| 152 | G | C | 0.0000 | |
| 153 | E | C | -2.1759 | |
| 154 | A | C | -1.3056 | |
| 155 | H | C | -1.1822 | |
| 156 | G | C | -0.8489 | |
| 157 | G | C | -1.4869 | |
| 158 | N | C | -2.0498 | |
| 159 | E | C | -1.6647 | |
| 160 | L | C | 0.0000 | |
| 161 | E | C | 0.0000 | |
| 162 | S | C | 0.0000 | |
| 163 | N | C | -1.8442 | |
| 164 | K | C | -2.2560 | |
| 165 | Y | C | -1.0409 | |
| 166 | L | C | 0.0000 | |
| 167 | R | C | -0.8059 | |
| 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 | -1.2637 |
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 | -0.9643 | 1.346 | View | CSV | PDB |
| 4.5 | -1.0326 | 1.3399 | View | CSV | PDB |
| 5.0 | -1.1195 | 1.3409 | View | CSV | PDB |
| 5.5 | -1.2067 | 1.3437 | View | CSV | PDB |
| 6.0 | -1.2725 | 1.3505 | View | CSV | PDB |
| 6.5 | -1.2986 | 1.3628 | View | CSV | PDB |
| 7.0 | -1.2825 | 1.3797 | View | CSV | PDB |
| 7.5 | -1.2373 | 1.3988 | View | CSV | PDB |
| 8.0 | -1.1768 | 1.4187 | View | CSV | PDB |
| 8.5 | -1.1072 | 1.4389 | View | CSV | PDB |
| 9.0 | -1.0291 | 1.459 | 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