| Chain sequence(s) |
A: LKIYKLNDVQETTNTYDFIDLLIDNELHLEGKMLNLSNAYEKLILTPLALQKLIEELFHKLDMPINFSRIGDNNTRYDAKLSIENGRFEGIVEVEVPSTAMLDAPRNLLDDIAVVSNRNNIDLDKIIPIVICWTFPNNRTDYWNVVNDINKVLNIKIRTIPIMALAVFYWTNNKLNLEGESFYVDVDNNSLMEIIELLSNKNINLSNFEGFFAPFK
B: MIRFANPGSDIEHIAEIFKKIYAQLSDFSSFNLDNMADVMTSAKMASSKGYVGEEALKRSYAIKDTSRNPLYNQAKMYAEVYRMFGWMNSVDSALEFKFTILGAHVALSGQSIKSIVELCLFGIYFPNQIIDVRFTNRGKPYVSIMKYFNALDDVLHRDEIIIGALNLENSDDKQEFTESVEQIKKLRSDTNSKKAIVNKMNELSENLGISCTTMRNYTRILIAALKYTGWAEEVNLNVYGKKTKFLKITQYGKEVRERISLLKYTTLSELEQLNEQQINAVCKIGFLTLLKMANFSVEEDLTTLTKEADIVNAIFNTTDIFFNPFQSYSRENILKYFPEGNLETDGKIRKEFTVEELQEIEAVLRNEKKIRSQDASSCKNNKTAKLIIELLQKHENNEKFVIDKLKTNILMMKQTHFYPLVADLFEIIFNLNARTPQAGVNNERFDVIIPDENFSIPVEVKSPTEEIMLSVKAVRQALENKIILLSRKNYITDKSISSIAVGFNIPNKRSDVYLLIEDIKQAFDINISITSIEQLLNAAINCLRNEKKYNIEDFKHVYGVIRFEDL input PDB |
| Selected Chain(s) | A,B |
| 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 globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:07:25)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/8eec2fd1499bb9c/tmp/folded.pdb (00:07:25)
[INFO] Main: Simulation completed successfully. (00:11:25)
|
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 | L | A | -0.3840 | |
| 2 | K | A | -1.1236 | |
| 3 | I | A | 0.1877 | |
| 4 | Y | A | 0.0000 | |
| 5 | K | A | -2.0123 | |
| 6 | L | A | -1.5954 | |
| 7 | N | A | -2.6497 | |
| 8 | D | A | -2.8343 | |
| 9 | V | A | -1.5898 | |
| 10 | Q | A | -2.3053 | |
| 11 | E | A | -2.7196 | |
| 12 | T | A | -1.6798 | |
| 13 | T | A | -1.5807 | |
| 14 | N | A | -1.9152 | |
| 15 | T | A | -0.6422 | |
| 16 | Y | A | -0.5530 | |
| 17 | D | A | -1.0472 | |
| 18 | F | A | -0.3365 | |
| 19 | I | A | 0.0000 | |
| 20 | D | A | -1.6299 | |
| 21 | L | A | -0.0019 | |
| 22 | L | A | 0.0000 | |
| 23 | I | A | 0.0000 | |
| 24 | D | A | -1.2420 | |
| 25 | N | A | -1.4233 | |
| 26 | E | A | -1.8860 | |
| 27 | L | A | -1.1564 | |
| 28 | H | A | -1.3291 | |
| 29 | L | A | 0.0000 | |
| 30 | E | A | -1.5162 | |
| 31 | G | A | -0.9300 | |
| 32 | K | A | -0.9228 | |
| 33 | M | A | 0.0000 | |
| 34 | L | A | -0.8607 | |
| 35 | N | A | -0.9145 | |
| 36 | L | A | 0.0000 | |
| 37 | S | A | -1.1202 | |
| 38 | N | A | -1.9247 | |
| 39 | A | A | -1.4831 | |
| 40 | Y | A | -1.1754 | |
| 41 | E | A | -1.9209 | |
| 42 | K | A | -1.5394 | |
| 43 | L | A | 0.0000 | |
| 44 | I | A | 0.6316 | |
| 45 | L | A | 1.0523 | |
| 46 | T | A | 0.0000 | |
| 47 | P | A | 0.3615 | |
| 48 | L | A | 0.6941 | |
| 49 | A | A | 0.0000 | |
| 50 | L | A | 0.0000 | |
| 51 | Q | A | -0.8681 | |
| 52 | K | A | -1.3768 | |
| 53 | L | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | E | A | -1.9237 | |
| 56 | E | A | -2.4808 | |
| 57 | L | A | 0.0000 | |
| 58 | F | A | 0.0000 | |
| 59 | H | A | -2.3275 | |
| 60 | K | A | -2.2120 | |
| 61 | L | A | 0.0000 | |
| 62 | D | A | -3.0950 | |
| 63 | M | A | 0.0000 | |
| 64 | P | A | -2.0356 | |
| 65 | I | A | 0.0000 | |
| 66 | N | A | -1.8055 | |
| 67 | F | A | -0.7457 | |
| 68 | S | A | -0.7852 | |
| 69 | R | A | -0.5158 | |
| 70 | I | A | 0.5851 | |
| 71 | G | A | -0.6017 | |
| 72 | D | A | -1.0972 | |
| 73 | N | A | -1.9704 | |
| 74 | N | A | -2.0736 | |
| 75 | T | A | -1.1927 | |
| 76 | R | A | -1.0564 | |
| 77 | Y | A | -0.6725 | |
| 78 | D | A | -0.8255 | |
| 79 | A | A | 0.0000 | |
| 80 | K | A | -1.1326 | |
| 81 | L | A | 0.0000 | |
| 82 | S | A | -1.9827 | |
| 83 | I | A | 0.0000 | |
| 84 | E | A | -3.7781 | |
| 85 | N | A | -3.1798 | |
| 86 | G | A | -2.7179 | |
| 87 | R | A | -3.2134 | |
| 88 | F | A | -2.6651 | |
| 89 | E | A | -1.7417 | |
| 90 | G | A | 0.0000 | |
| 91 | I | A | 0.0000 | |
| 92 | V | A | 0.0000 | |
| 93 | E | A | 0.0000 | |
| 94 | V | A | -0.0782 | |
| 95 | E | A | -0.2231 | |
| 96 | V | A | 0.1834 | |
| 97 | P | A | 0.0487 | |
| 98 | S | A | -0.1453 | |
| 99 | T | A | -0.1356 | |
| 100 | A | A | -0.1139 | |
| 101 | M | A | 0.0000 | |
| 102 | L | A | -0.0597 | |
| 103 | D | A | -0.5404 | |
| 104 | A | A | 0.0000 | |
| 105 | P | A | 0.0000 | |
| 106 | R | A | -0.5909 | |
| 107 | N | A | -0.5873 | |
| 108 | L | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | D | A | 0.0000 | |
| 111 | D | A | 0.0000 | |
| 112 | I | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | S | A | -1.6382 | |
| 117 | N | A | -1.5523 | |
| 118 | R | A | -1.2909 | |
| 119 | N | A | -1.6737 | |
| 120 | N | A | -2.0179 | |
| 121 | I | A | -1.9118 | |
| 122 | D | A | -2.7668 | |
| 123 | L | A | -1.9860 | |
| 124 | D | A | -2.8531 | |
| 125 | K | A | -2.9061 | |
| 126 | I | A | 0.0000 | |
| 127 | I | A | 0.0000 | |
| 128 | P | A | 0.0000 | |
| 129 | I | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | I | A | 0.0000 | |
| 132 | C | A | 0.0000 | |
| 133 | W | A | 0.0000 | |
| 134 | T | A | -0.1489 | |
| 135 | F | A | 0.0000 | |
| 136 | P | A | 0.0000 | |
| 137 | N | A | -1.9681 | |
| 138 | N | A | -2.4593 | |
| 139 | R | A | -2.8359 | |
| 140 | T | A | -1.6250 | |
| 141 | D | A | 0.0000 | |
| 142 | Y | A | 0.0000 | |
| 143 | W | A | 0.0000 | |
| 144 | N | A | -0.7158 | |
| 145 | V | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | N | A | 0.0000 | |
| 148 | D | A | 0.0000 | |
| 149 | I | A | 0.0000 | |
| 150 | N | A | -1.5651 | |
| 151 | K | A | -2.0620 | |
| 152 | V | A | -0.9364 | |
| 153 | L | A | -1.0388 | |
| 154 | N | A | -1.9842 | |
| 155 | I | A | 0.0000 | |
| 156 | K | A | -1.5450 | |
| 157 | I | A | 0.0000 | |
| 158 | R | A | 0.0000 | |
| 159 | T | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | P | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | M | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | A | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | F | A | 0.0000 | |
| 169 | Y | A | -1.2393 | |
| 170 | W | A | -0.6736 | |
| 171 | T | A | -1.0512 | |
| 172 | N | A | -2.0505 | |
| 173 | N | A | -2.3038 | |
| 174 | K | A | -2.8764 | |
| 175 | L | A | 0.0000 | |
| 176 | N | A | -2.5767 | |
| 177 | L | A | 0.0000 | |
| 178 | E | A | -3.0143 | |
| 179 | G | A | -2.3853 | |
| 180 | E | A | -2.6497 | |
| 181 | S | A | -1.9648 | |
| 182 | F | A | 0.0000 | |
| 183 | Y | A | -1.0398 | |
| 184 | V | A | 0.0000 | |
| 185 | D | A | 0.0000 | |
| 186 | V | A | -0.3959 | |
| 187 | D | A | -1.7953 | |
| 188 | N | A | -1.6914 | |
| 189 | N | A | -1.0279 | |
| 190 | S | A | -0.5203 | |
| 191 | L | A | 0.0000 | |
| 192 | M | A | -0.7303 | |
| 193 | E | A | -1.9308 | |
| 194 | I | A | 0.0000 | |
| 195 | I | A | -1.0202 | |
| 196 | E | A | -2.6191 | |
| 197 | L | A | -1.7439 | |
| 198 | L | A | 0.0000 | |
| 199 | S | A | -2.4678 | |
| 200 | N | A | -2.6763 | |
| 201 | K | A | -2.8385 | |
| 202 | N | A | -2.8054 | |
| 203 | I | A | 0.0000 | |
| 204 | N | A | -2.3057 | |
| 205 | L | A | -1.4624 | |
| 206 | S | A | -1.6352 | |
| 207 | N | A | -2.1117 | |
| 208 | F | A | 0.0000 | |
| 209 | E | A | -1.9736 | |
| 210 | G | A | 0.0000 | |
| 211 | F | A | 0.0000 | |
| 212 | F | A | 0.0000 | |
| 213 | A | A | -0.4757 | |
| 214 | P | A | -0.8987 | |
| 215 | F | A | -0.0022 | |
| 216 | K | A | -2.0092 | |
| 1 | M | B | 0.0000 | |
| 2 | I | B | 0.0000 | |
| 3 | R | B | -0.8439 | |
| 4 | F | B | 0.0000 | |
| 5 | A | B | -0.8241 | |
| 6 | N | B | -1.1262 | |
| 7 | P | B | 0.0000 | |
| 8 | G | B | -0.7402 | |
| 9 | S | B | -1.0804 | |
| 10 | D | B | -1.3965 | |
| 11 | I | B | 0.0000 | |
| 12 | E | B | -2.6667 | |
| 13 | H | B | -1.6329 | |
| 14 | I | B | 0.0000 | |
| 15 | A | B | 0.0000 | |
| 16 | E | B | -2.4287 | |
| 17 | I | B | 0.0000 | |
| 18 | F | B | 0.0000 | |
| 19 | K | B | -1.0956 | |
| 20 | K | B | -1.5308 | |
| 21 | I | B | 0.0000 | |
| 22 | Y | B | 0.0000 | |
| 23 | A | B | -0.5847 | |
| 24 | Q | B | -1.1316 | |
| 25 | L | B | 0.0000 | |
| 26 | S | B | -1.2302 | |
| 27 | D | B | -1.7533 | |
| 28 | F | B | -1.2982 | |
| 29 | S | B | -1.2871 | |
| 30 | S | B | 0.0000 | |
| 31 | F | B | 0.0000 | |
| 32 | N | B | -0.8144 | |
| 33 | L | B | 0.0000 | |
| 34 | D | B | -0.6855 | |
| 35 | N | B | 0.0000 | |
| 36 | M | B | 0.0000 | |
| 37 | A | B | 0.0000 | |
| 38 | D | B | -0.8198 | |
| 39 | V | B | 0.0000 | |
| 40 | M | B | 0.0000 | |
| 41 | T | B | 0.0000 | |
| 42 | S | B | -1.3208 | |
| 43 | A | B | -1.1849 | |
| 44 | K | B | -1.9926 | |
| 45 | M | B | 0.0000 | |
| 46 | A | B | 0.0000 | |
| 47 | S | B | -1.0146 | |
| 48 | S | B | 0.0000 | |
| 49 | K | B | -1.2758 | |
| 50 | G | B | -1.2658 | |
| 51 | Y | B | 0.0000 | |
| 52 | V | B | -0.7004 | |
| 53 | G | B | 0.0000 | |
| 54 | E | B | -2.6403 | |
| 55 | E | B | -1.7654 | |
| 56 | A | B | 0.0000 | |
| 57 | L | B | 0.0000 | |
| 58 | K | B | -1.8962 | |
| 59 | R | B | -1.2468 | |
| 60 | S | B | 0.0000 | |
| 61 | Y | B | -1.2641 | |
| 62 | A | B | -1.4395 | |
| 63 | I | B | -1.4406 | |
| 64 | K | B | -2.3758 | |
| 65 | D | B | -2.2436 | |
| 66 | T | B | -1.5682 | |
| 67 | S | B | -1.6356 | |
| 68 | R | B | -2.4345 | |
| 69 | N | B | 0.0000 | |
| 70 | P | B | -0.8401 | |
| 71 | L | B | 0.0000 | |
| 72 | Y | B | -0.6666 | |
| 73 | N | B | -0.9530 | |
| 74 | Q | B | -0.6126 | |
| 75 | A | B | 0.0000 | |
| 76 | K | B | -0.9831 | |
| 77 | M | B | -0.6866 | |
| 78 | Y | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | E | B | -0.9190 | |
| 81 | V | B | 0.0000 | |
| 82 | Y | B | 0.0000 | |
| 83 | R | B | -0.4546 | |
| 84 | M | B | 0.0000 | |
| 85 | F | B | 0.0000 | |
| 86 | G | B | 0.0000 | |
| 87 | W | B | 0.0000 | |
| 88 | M | B | 0.0000 | |
| 89 | N | B | 0.0000 | |
| 90 | S | B | -0.7533 | |
| 91 | V | B | -1.1004 | |
| 92 | D | B | -1.9705 | |
| 93 | S | B | -0.7937 | |
| 94 | A | B | -0.3178 | |
| 95 | L | B | 0.0812 | |
| 96 | E | B | -0.5646 | |
| 97 | F | B | 0.0000 | |
| 98 | K | B | -0.6277 | |
| 99 | F | B | 0.0000 | |
| 100 | T | B | 0.0000 | |
| 101 | I | B | 0.0000 | |
| 102 | L | B | 0.0000 | |
| 103 | G | B | 0.0000 | |
| 104 | A | B | 0.0000 | |
| 105 | H | B | 0.0000 | |
| 106 | V | B | 0.0000 | |
| 107 | A | B | 0.0724 | |
| 108 | L | B | 1.1568 | |
| 109 | S | B | 0.0166 | |
| 110 | G | B | -0.6437 | |
| 111 | Q | B | -1.8914 | |
| 112 | S | B | -1.1895 | |
| 113 | I | B | 0.0000 | |
| 114 | K | B | -1.3160 | |
| 115 | S | B | -0.6142 | |
| 116 | I | B | 0.0000 | |
| 117 | V | B | 0.0000 | |
| 118 | E | B | 0.0000 | |
| 119 | L | B | 0.0000 | |
| 120 | C | B | 0.0000 | |
| 121 | L | B | 0.0000 | |
| 122 | F | B | 0.0000 | |
| 123 | G | B | 0.0000 | |
| 124 | I | B | 0.0000 | |
| 125 | Y | B | 0.0000 | |
| 126 | F | B | 0.0000 | |
| 127 | P | B | -0.9327 | |
| 128 | N | B | -0.8844 | |
| 129 | Q | B | -1.2069 | |
| 130 | I | B | 0.0000 | |
| 131 | I | B | 0.0000 | |
| 132 | D | B | -2.0476 | |
| 133 | V | B | -1.3129 | |
| 134 | R | B | -1.9689 | |
| 135 | F | B | -1.2850 | |
| 136 | T | B | -1.0687 | |
| 137 | N | B | 0.0000 | |
| 138 | R | B | -2.1947 | |
| 139 | G | B | 0.0000 | |
| 140 | K | B | -0.4950 | |
| 141 | P | B | 0.0000 | |
| 142 | Y | B | 0.0000 | |
| 143 | V | B | -0.0489 | |
| 144 | S | B | 0.0000 | |
| 145 | I | B | 0.0000 | |
| 146 | M | B | 0.0000 | |
| 147 | K | B | -1.1166 | |
| 148 | Y | B | 0.0000 | |
| 149 | F | B | 0.0000 | |
| 150 | N | B | -2.2131 | |
| 151 | A | B | -1.5640 | |
| 152 | L | B | 0.0000 | |
| 153 | D | B | -2.4234 | |
| 154 | D | B | -2.1121 | |
| 155 | V | B | 0.0000 | |
| 156 | L | B | 0.0000 | |
| 157 | H | B | -0.9960 | |
| 158 | R | B | -1.3172 | |
| 159 | D | B | 0.0000 | |
| 160 | E | B | 0.0000 | |
| 161 | I | B | 0.0000 | |
| 162 | I | B | 0.0000 | |
| 163 | I | B | 0.0000 | |
| 164 | G | B | 0.0000 | |
| 165 | A | B | 0.0000 | |
| 166 | L | B | 0.0000 | |
| 167 | N | B | -0.8849 | |
| 168 | L | B | 0.0000 | |
| 169 | E | B | -2.7239 | |
| 170 | N | B | -2.7933 | |
| 171 | S | B | 0.0000 | |
| 172 | D | B | -2.3534 | |
| 173 | D | B | -2.8765 | |
| 174 | K | B | -3.2450 | |
| 175 | Q | B | -3.0847 | |
| 176 | E | B | -3.0288 | |
| 177 | F | B | -2.5448 | |
| 178 | T | B | -2.3469 | |
| 179 | E | B | -3.1446 | |
| 180 | S | B | -2.1922 | |
| 181 | V | B | 0.0000 | |
| 182 | E | B | -2.8335 | |
| 183 | Q | B | -2.3910 | |
| 184 | I | B | 0.0000 | |
| 185 | K | B | -2.8299 | |
| 186 | K | B | -3.0818 | |
| 187 | L | B | 0.0000 | |
| 188 | R | B | -1.9834 | |
| 189 | S | B | -1.8811 | |
| 190 | D | B | -2.6828 | |
| 191 | T | B | -1.8967 | |
| 192 | N | B | -2.7145 | |
| 193 | S | B | 0.0000 | |
| 194 | K | B | -2.9853 | |
| 195 | K | B | -2.9079 | |
| 196 | A | B | -2.3361 | |
| 197 | I | B | 0.0000 | |
| 198 | V | B | -1.2106 | |
| 199 | N | B | -2.3024 | |
| 200 | K | B | -2.0321 | |
| 201 | M | B | 0.0000 | |
| 202 | N | B | -2.8214 | |
| 203 | E | B | -3.5145 | |
| 204 | L | B | -2.1762 | |
| 205 | S | B | -2.2444 | |
| 206 | E | B | -3.2596 | |
| 207 | N | B | -2.5724 | |
| 208 | L | B | -1.1181 | |
| 209 | G | B | -1.2017 | |
| 210 | I | B | -0.3897 | |
| 211 | S | B | -0.5897 | |
| 212 | C | B | -0.7828 | |
| 213 | T | B | -0.4437 | |
| 214 | T | B | -0.4446 | |
| 215 | M | B | 0.0000 | |
| 216 | R | B | -1.5557 | |
| 217 | N | B | -1.4465 | |
| 218 | Y | B | -1.0252 | |
| 219 | T | B | 0.0000 | |
| 220 | R | B | -1.9399 | |
| 221 | I | B | 0.0000 | |
| 222 | L | B | 0.0000 | |
| 223 | I | B | 0.0000 | |
| 224 | A | B | -0.8206 | |
| 225 | A | B | 0.0000 | |
| 226 | L | B | 0.0000 | |
| 227 | K | B | -1.5672 | |
| 228 | Y | B | -0.9787 | |
| 229 | T | B | 0.0000 | |
| 230 | G | B | -0.7835 | |
| 231 | W | B | 0.0000 | |
| 232 | A | B | 0.0000 | |
| 233 | E | B | -2.4678 | |
| 234 | E | B | -2.4993 | |
| 235 | V | B | -1.9861 | |
| 236 | N | B | -2.8161 | |
| 237 | L | B | -2.0931 | |
| 238 | N | B | -2.9100 | |
| 239 | V | B | -1.3853 | |
| 240 | Y | B | 0.0000 | |
| 241 | G | B | -2.6808 | |
| 242 | K | B | -3.5330 | |
| 243 | K | B | -3.6573 | |
| 244 | T | B | -2.8101 | |
| 245 | K | B | -3.3366 | |
| 246 | F | B | 0.0000 | |
| 247 | L | B | 0.0000 | |
| 248 | K | B | -2.3620 | |
| 249 | I | B | 0.0000 | |
| 250 | T | B | -1.5988 | |
| 251 | Q | B | -1.6726 | |
| 252 | Y | B | -0.9472 | |
| 253 | G | B | 0.0000 | |
| 254 | K | B | -2.7638 | |
| 255 | E | B | -3.2818 | |
| 256 | V | B | 0.0000 | |
| 257 | R | B | -2.4004 | |
| 258 | E | B | -2.9710 | |
| 259 | R | B | -2.2889 | |
| 260 | I | B | 0.0000 | |
| 261 | S | B | -0.8197 | |
| 262 | L | B | 0.1713 | |
| 263 | L | B | -0.6443 | |
| 264 | K | B | -1.2091 | |
| 265 | Y | B | -0.4179 | |
| 266 | T | B | 0.0000 | |
| 267 | T | B | 0.0000 | |
| 268 | L | B | -0.9193 | |
| 269 | S | B | -1.3261 | |
| 270 | E | B | -1.6738 | |
| 271 | L | B | 0.0000 | |
| 272 | E | B | -2.8030 | |
| 273 | Q | B | -2.6735 | |
| 274 | L | B | -2.2960 | |
| 275 | N | B | -2.9065 | |
| 276 | E | B | -3.3310 | |
| 277 | Q | B | -2.4499 | |
| 278 | Q | B | -1.7619 | |
| 279 | I | B | 0.0000 | |
| 280 | N | B | -1.6322 | |
| 281 | A | B | 0.0000 | |
| 282 | V | B | 0.0000 | |
| 283 | C | B | 0.0000 | |
| 284 | K | B | -0.2778 | |
| 285 | I | B | 0.0000 | |
| 286 | G | B | 0.0000 | |
| 287 | F | B | 0.0000 | |
| 288 | L | B | 0.0000 | |
| 289 | T | B | -0.8681 | |
| 290 | L | B | 0.0000 | |
| 291 | L | B | 0.0000 | |
| 292 | K | B | -1.5090 | |
| 293 | M | B | -0.7654 | |
| 294 | A | B | 0.0000 | |
| 295 | N | B | -1.6683 | |
| 296 | F | B | 0.0000 | |
| 297 | S | B | -2.0138 | |
| 298 | V | B | 0.0000 | |
| 299 | E | B | -2.0339 | |
| 300 | E | B | -2.3855 | |
| 301 | D | B | -1.3982 | |
| 302 | L | B | -1.0587 | |
| 303 | T | B | -0.9025 | |
| 304 | T | B | -0.9210 | |
| 305 | L | B | -0.9925 | |
| 306 | T | B | -1.3413 | |
| 307 | K | B | -2.4276 | |
| 308 | E | B | -1.8518 | |
| 309 | A | B | -1.7883 | |
| 310 | D | B | -2.6676 | |
| 311 | I | B | -1.6454 | |
| 312 | V | B | 0.0000 | |
| 313 | N | B | -2.1197 | |
| 314 | A | B | -0.9200 | |
| 315 | I | B | -0.3694 | |
| 316 | F | B | 0.0000 | |
| 317 | N | B | -1.9652 | |
| 318 | T | B | -1.7996 | |
| 319 | T | B | -1.7797 | |
| 320 | D | B | -1.9719 | |
| 321 | I | B | 0.0000 | |
| 322 | F | B | 0.0000 | |
| 323 | F | B | 0.0000 | |
| 324 | N | B | 0.0000 | |
| 325 | P | B | 0.0000 | |
| 326 | F | B | 0.0000 | |
| 327 | Q | B | 0.0000 | |
| 328 | S | B | 0.0000 | |
| 329 | Y | B | 0.0000 | |
| 330 | S | B | -0.9950 | |
| 331 | R | B | 0.0000 | |
| 332 | E | B | -2.4279 | |
| 333 | N | B | -1.6458 | |
| 334 | I | B | 0.0000 | |
| 335 | L | B | -0.9398 | |
| 336 | K | B | -2.2940 | |
| 337 | Y | B | -1.8663 | |
| 338 | F | B | 0.0000 | |
| 339 | P | B | -0.8553 | |
| 340 | E | B | -1.0605 | |
| 341 | G | B | 0.0000 | |
| 342 | N | B | -0.7370 | |
| 343 | L | B | -0.8642 | |
| 344 | E | B | -2.3533 | |
| 345 | T | B | -2.2494 | |
| 346 | D | B | -2.6453 | |
| 347 | G | B | -1.9723 | |
| 348 | K | B | -1.4802 | |
| 349 | I | B | -0.1112 | |
| 350 | R | B | -1.8278 | |
| 351 | K | B | -2.0471 | |
| 352 | E | B | -2.1477 | |
| 353 | F | B | -1.0715 | |
| 354 | T | B | -1.0153 | |
| 355 | V | B | -1.4301 | |
| 356 | E | B | -2.9364 | |
| 357 | E | B | -2.9333 | |
| 358 | L | B | -1.7514 | |
| 359 | Q | B | -2.3108 | |
| 360 | E | B | -2.3724 | |
| 361 | I | B | -0.3127 | |
| 362 | E | B | -1.2136 | |
| 363 | A | B | 0.1970 | |
| 364 | V | B | 1.3042 | |
| 365 | L | B | 0.8296 | |
| 366 | R | B | -0.9038 | |
| 367 | N | B | -1.5731 | |
| 368 | E | B | -3.0001 | |
| 369 | K | B | -2.9469 | |
| 370 | K | B | -2.8941 | |
| 371 | I | B | 0.0000 | |
| 372 | R | B | -2.7473 | |
| 373 | S | B | 0.0000 | |
| 374 | Q | B | -2.7787 | |
| 375 | D | B | -3.2867 | |
| 376 | A | B | -2.2975 | |
| 377 | S | B | -1.2763 | |
| 378 | S | B | -1.2586 | |
| 379 | C | B | -1.3591 | |
| 380 | K | B | -1.7924 | |
| 381 | N | B | -2.2462 | |
| 382 | N | B | -2.1293 | |
| 383 | K | B | -2.5495 | |
| 384 | T | B | 0.0000 | |
| 385 | A | B | 0.0000 | |
| 386 | K | B | -2.1999 | |
| 387 | L | B | -0.6660 | |
| 388 | I | B | 0.0000 | |
| 389 | I | B | -0.6687 | |
| 390 | E | B | -1.5219 | |
| 391 | L | B | -1.6047 | |
| 392 | L | B | 0.0000 | |
| 393 | Q | B | -2.9692 | |
| 394 | K | B | -3.1725 | |
| 395 | H | B | -2.6602 | |
| 396 | E | B | -3.3826 | |
| 397 | N | B | -3.0757 | |
| 398 | N | B | -2.9200 | |
| 399 | E | B | -2.7417 | |
| 400 | K | B | -2.5082 | |
| 401 | F | B | -1.1718 | |
| 402 | V | B | 0.0000 | |
| 403 | I | B | 0.0000 | |
| 404 | D | B | -2.5282 | |
| 405 | K | B | -1.8730 | |
| 406 | L | B | 0.0000 | |
| 407 | K | B | -1.2836 | |
| 408 | T | B | -1.0999 | |
| 409 | N | B | -1.2915 | |
| 410 | I | B | 0.0000 | |
| 411 | L | B | 0.4978 | |
| 412 | M | B | 0.4119 | |
| 413 | M | B | -0.8815 | |
| 414 | K | B | -2.3810 | |
| 415 | Q | B | -2.4420 | |
| 416 | T | B | -1.5200 | |
| 417 | H | B | -1.6962 | |
| 418 | F | B | 0.0000 | |
| 419 | Y | B | -1.0314 | |
| 420 | P | B | -1.0807 | |
| 421 | L | B | 0.0000 | |
| 422 | V | B | 0.0000 | |
| 423 | A | B | 0.0000 | |
| 424 | D | B | -1.3534 | |
| 425 | L | B | 0.0000 | |
| 426 | F | B | 0.0000 | |
| 427 | E | B | -1.2987 | |
| 428 | I | B | 0.0000 | |
| 429 | I | B | 0.0000 | |
| 430 | F | B | 0.0000 | |
| 431 | N | B | -0.9448 | |
| 432 | L | B | -0.9509 | |
| 433 | N | B | -1.8230 | |
| 434 | A | B | -1.5436 | |
| 435 | R | B | -2.1538 | |
| 436 | T | B | -1.2046 | |
| 437 | P | B | -1.2406 | |
| 438 | Q | B | -1.5753 | |
| 439 | A | B | -0.7579 | |
| 440 | G | B | -0.7733 | |
| 441 | V | B | -0.4597 | |
| 442 | N | B | -1.4937 | |
| 443 | N | B | -2.2487 | |
| 444 | E | B | -1.5830 | |
| 445 | R | B | -1.3344 | |
| 446 | F | B | 0.0000 | |
| 447 | D | B | -0.9229 | |
| 448 | V | B | 0.0000 | |
| 449 | I | B | 0.0000 | |
| 450 | I | B | 0.0000 | |
| 451 | P | B | -0.8298 | |
| 452 | D | B | -1.3000 | |
| 453 | E | B | -1.8386 | |
| 454 | N | B | -1.4187 | |
| 455 | F | B | -0.9453 | |
| 456 | S | B | 0.0000 | |
| 457 | I | B | 0.0000 | |
| 458 | P | B | 0.0000 | |
| 459 | V | B | 0.0000 | |
| 460 | E | B | 0.0000 | |
| 461 | V | B | 0.0000 | |
| 462 | K | B | 0.0000 | |
| 463 | S | B | 0.0000 | |
| 464 | P | B | -0.3014 | |
| 465 | T | B | -1.0667 | |
| 466 | E | B | -2.0631 | |
| 467 | E | B | -0.6188 | |
| 468 | I | B | 0.9509 | |
| 469 | M | B | 0.4304 | |
| 470 | L | B | 0.0000 | |
| 471 | S | B | -0.2119 | |
| 472 | V | B | -0.2658 | |
| 473 | K | B | -0.7320 | |
| 474 | A | B | 0.0000 | |
| 475 | V | B | 0.0000 | |
| 476 | R | B | -0.6484 | |
| 477 | Q | B | -0.6136 | |
| 478 | A | B | 0.0000 | |
| 479 | L | B | 0.0000 | |
| 480 | E | B | 0.0000 | |
| 481 | N | B | 0.0000 | |
| 482 | K | B | 0.0000 | |
| 483 | I | B | 0.0000 | |
| 484 | I | B | 0.0000 | |
| 485 | L | B | 0.0000 | |
| 486 | L | B | -0.7024 | |
| 487 | S | B | -1.1409 | |
| 488 | R | B | -1.8733 | |
| 489 | K | B | -1.8628 | |
| 490 | N | B | -1.6311 | |
| 491 | Y | B | -0.4519 | |
| 492 | I | B | 0.5289 | |
| 493 | T | B | -0.4432 | |
| 494 | D | B | -0.8524 | |
| 495 | K | B | -1.4793 | |
| 496 | S | B | -1.5939 | |
| 497 | I | B | 0.0000 | |
| 498 | S | B | 0.0000 | |
| 499 | S | B | 0.0000 | |
| 500 | I | B | 0.0000 | |
| 501 | A | B | 0.0000 | |
| 502 | V | B | 0.0000 | |
| 503 | G | B | 0.0000 | |
| 504 | F | B | 0.0000 | |
| 505 | N | B | -0.1071 | |
| 506 | I | B | 0.0134 | |
| 507 | P | B | 0.0000 | |
| 508 | N | B | -2.6945 | |
| 509 | K | B | -3.2304 | |
| 510 | R | B | -3.2598 | |
| 511 | S | B | -2.1121 | |
| 512 | D | B | -1.7061 | |
| 513 | V | B | 0.0000 | |
| 514 | Y | B | 0.0000 | |
| 515 | L | B | 0.0249 | |
| 516 | L | B | 0.0000 | |
| 517 | I | B | 0.0000 | |
| 518 | E | B | -0.6803 | |
| 519 | D | B | 0.0000 | |
| 520 | I | B | 0.0000 | |
| 521 | K | B | -1.6583 | |
| 522 | Q | B | -1.9801 | |
| 523 | A | B | -1.5176 | |
| 524 | F | B | 0.0000 | |
| 525 | D | B | -2.3452 | |
| 526 | I | B | 0.0000 | |
| 527 | N | B | 0.0000 | |
| 528 | I | B | 0.0000 | |
| 529 | S | B | 0.0000 | |
| 530 | I | B | 0.0000 | |
| 531 | T | B | 0.0000 | |
| 532 | S | B | 0.0000 | |
| 533 | I | B | 0.0000 | |
| 534 | E | B | -1.6011 | |
| 535 | Q | B | -1.0553 | |
| 536 | L | B | 0.0000 | |
| 537 | L | B | 0.0000 | |
| 538 | N | B | -1.4727 | |
| 539 | A | B | 0.0000 | |
| 540 | A | B | 0.0000 | |
| 541 | I | B | 0.0000 | |
| 542 | N | B | 0.0000 | |
| 543 | C | B | 0.0000 | |
| 544 | L | B | -1.4432 | |
| 545 | R | B | -1.7659 | |
| 546 | N | B | -2.9313 | |
| 547 | E | B | -3.4616 | |
| 548 | K | B | -3.1830 | |
| 549 | K | B | -2.3459 | |
| 550 | Y | B | 0.0000 | |
| 551 | N | B | -1.8216 | |
| 552 | I | B | 0.0000 | |
| 553 | E | B | -2.3732 | |
| 554 | D | B | -2.5671 | |
| 555 | F | B | 0.0000 | |
| 556 | K | B | -2.1945 | |
| 557 | H | B | -2.0008 | |
| 558 | V | B | 0.0000 | |
| 559 | Y | B | -0.8990 | |
| 560 | G | B | 0.0000 | |
| 561 | V | B | 0.0000 | |
| 562 | I | B | 0.0000 | |
| 563 | R | B | -2.3813 | |
| 564 | F | B | 0.0000 | |
| 565 | E | B | 0.0000 | |
| 566 | D | B | -1.4747 | |
| 567 | L | B | -0.0107 |
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 | -0.8527 | 2.3815 | View | CSV | PDB |
| 4.5 | -0.9289 | 2.3827 | View | CSV | PDB |
| 5.0 | -1.0241 | 2.3862 | View | CSV | PDB |
| 5.5 | -1.1206 | 2.3962 | View | CSV | PDB |
| 6.0 | -1.1985 | 2.42 | View | CSV | PDB |
| 6.5 | -1.2416 | 2.463 | View | CSV | PDB |
| 7.0 | -1.2476 | 2.5214 | View | CSV | PDB |
| 7.5 | -1.2273 | 2.5876 | View | CSV | PDB |
| 8.0 | -1.1927 | 2.6568 | View | CSV | PDB |
| 8.5 | -1.1488 | 2.7266 | View | CSV | PDB |
| 9.0 | -1.0961 | 2.7958 | 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