| Chain sequence(s) |
A: MKHGIYYSYWEHEWSAKFGPYIEKVAKLGFDIIEVAAHHINEYSDAELATIRKSAKDNGIILTAGIGPSKTKNLSSEDAAVRAAGKAFFERTLSNVAKLDIHTIGGALHSYWPIDYSQPVDKAGDYARGVEGINGIADFANDLGINLCIEVLNRFENHVLNTAAEGVAFVKDVGKNNVKVMLDTFHMNIEEDSFGDAIRTAGPLLGHFHTGESNRRVPGKGRMPWHEIGLALRDINYTGAVIMEPFVKTGGTIGSDIKVWRDLSGGADIAKMDEDARNALAFSRFVLGG
C: MKHGIYYSYWEHEWSAKFGPYIEKVAKLGFDIIEVAAHHINEYSDAELATIRKSAKDNGIILTAGIGPSKTKNLSSEDAAVRAAGKAFFERTLSNVAKLDIHTIGGALHSYWPIDYSQPVDKAGDYARGVEGINGIADFANDLGINLCIEVLNRFENHVLNTAAEGVAFVKDVGKNNVKVMLDTFHMNIEEDSFGDAIRTAGPLLGHFHTGESNRRVPGKGRMPWHEIGLALRDINYTGAVIMEPFVKTGGTIGSDIKVWRDLSGGADIAKMDEDARNALAFSRFVLGG B: MKHGIYYSYWEHEWSAKFGPYIEKVAKLGFDIIEVAAHHINEYSDAELATIRKSAKDNGIILTAGIGPSKTKNLSSEDAAVRAAGKAFFERTLSNVAKLDIHTIGGALHSYWPIDYSQPVDKAGDYARGVEGINGIADFANDLGINLCIEVLNRFENHVLNTAAEGVAFVKDVGKNNVKVMLDTFHMNIEEDSFGDAIRTAGPLLGHFHTGESNRRVPGKGRMPWHEIGLALRDINYTGAVIMEPFVKTGGTIGSDIKVWRDLSGGADIAKMDEDARNALAFSRFVLGG D: MKHGIYYSYWEHEWSAKFGPYIEKVAKLGFDIIEVAAHHINEYSDAELATIRKSAKDNGIILTAGIGPSKTKNLSSEDAAVRAAGKAFFERTLSNVAKLDIHTIGGALHSYWPIDYSQPVDKAGDYARGVEGINGIADFANDLGINLCIEVLNRFENHVLNTAAEGVAFVKDVGKNNVKVMLDTFHMNIEEDSFGDAIRTAGPLLGHFHTGESNRRVPGKGRMPWHEIGLALRDINYTGAVIMEPFVKTGGTIGSDIKVWRDLSGGADIAKMDEDARNALAFSRFVLGG input PDB |
| Selected Chain(s) | A,B,C,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] (00:00:01)
[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] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/93b7884c5b64b0c/tmp/folded.pdb (00:16:36)
[INFO] Main: Simulation completed successfully. (00:22:42)
|
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 | M | A | -0.7892 | |
| 2 | K | A | -0.8415 | |
| 3 | H | A | 0.0000 | |
| 4 | G | A | 0.0000 | |
| 5 | I | A | 0.0000 | |
| 6 | Y | A | 0.0000 | |
| 7 | Y | A | 0.0000 | |
| 8 | S | A | 0.0000 | |
| 9 | Y | A | 0.0000 | |
| 10 | W | A | 0.0000 | |
| 11 | E | A | -1.2986 | |
| 12 | H | A | -1.7257 | |
| 13 | E | A | -1.4754 | |
| 14 | W | A | -0.9888 | |
| 15 | S | A | -1.0907 | |
| 16 | A | A | -1.4008 | |
| 17 | K | A | -1.9821 | |
| 18 | F | A | 0.0000 | |
| 19 | G | A | -1.2407 | |
| 20 | P | A | -1.0734 | |
| 21 | Y | A | -1.1175 | |
| 22 | I | A | 0.0000 | |
| 23 | E | A | -2.8083 | |
| 24 | K | A | -1.9234 | |
| 25 | V | A | 0.0000 | |
| 26 | A | A | -1.8225 | |
| 27 | K | A | -2.6573 | |
| 28 | L | A | 0.0000 | |
| 29 | G | A | -1.3315 | |
| 30 | F | A | 0.0000 | |
| 31 | D | A | -0.6405 | |
| 32 | I | A | 0.0000 | |
| 33 | I | A | 0.0000 | |
| 34 | E | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | A | A | 0.0000 | |
| 37 | A | A | 0.0000 | |
| 38 | H | A | -1.5885 | |
| 39 | H | A | -1.4956 | |
| 40 | I | A | 0.0000 | |
| 41 | N | A | -1.8337 | |
| 42 | E | A | -2.4142 | |
| 43 | Y | A | -1.7379 | |
| 44 | S | A | -1.8960 | |
| 45 | D | A | -2.6848 | |
| 46 | A | A | -1.6332 | |
| 47 | E | A | -2.5008 | |
| 48 | L | A | 0.0000 | |
| 49 | A | A | -1.9877 | |
| 50 | T | A | -1.8088 | |
| 51 | I | A | 0.0000 | |
| 52 | R | A | -2.6530 | |
| 53 | K | A | -3.3910 | |
| 54 | S | A | -2.7344 | |
| 55 | A | A | 0.0000 | |
| 56 | K | A | -3.6320 | |
| 57 | D | A | -3.6288 | |
| 58 | N | A | -2.6843 | |
| 59 | G | A | -2.0782 | |
| 60 | I | A | 0.0000 | |
| 61 | I | A | 0.4941 | |
| 62 | L | A | 0.0000 | |
| 63 | T | A | 0.0000 | |
| 64 | A | A | 0.0000 | |
| 65 | G | A | -0.2880 | |
| 66 | I | A | 0.0000 | |
| 67 | G | A | -0.7599 | |
| 68 | P | A | 0.0000 | |
| 69 | S | A | -1.1579 | |
| 70 | K | A | -1.9868 | |
| 71 | T | A | -1.4733 | |
| 72 | K | A | -1.5246 | |
| 73 | N | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | S | A | 0.0000 | |
| 76 | S | A | 0.0000 | |
| 77 | E | A | -2.7883 | |
| 78 | D | A | -2.2522 | |
| 79 | A | A | -1.1477 | |
| 80 | A | A | -0.8463 | |
| 81 | V | A | -1.4005 | |
| 82 | R | A | -1.4738 | |
| 83 | A | A | -0.6544 | |
| 84 | A | A | -0.4621 | |
| 85 | G | A | 0.0000 | |
| 86 | K | A | -1.3983 | |
| 87 | A | A | -1.0466 | |
| 88 | F | A | -1.0468 | |
| 89 | F | A | 0.0000 | |
| 90 | E | A | -1.5528 | |
| 91 | R | A | -2.2427 | |
| 92 | T | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | S | A | -1.3225 | |
| 95 | N | A | -1.7633 | |
| 96 | V | A | 0.0000 | |
| 97 | A | A | -1.2929 | |
| 98 | K | A | -1.9278 | |
| 99 | L | A | 0.0000 | |
| 100 | D | A | -1.7500 | |
| 101 | I | A | 0.0000 | |
| 102 | H | A | -1.0391 | |
| 103 | T | A | -0.6714 | |
| 104 | I | A | 0.0000 | |
| 105 | G | A | 0.0000 | |
| 106 | G | A | 0.0000 | |
| 107 | A | A | 0.0000 | |
| 108 | L | A | 0.0000 | |
| 109 | H | A | 0.0000 | |
| 110 | S | A | 0.0000 | |
| 111 | Y | A | -0.5371 | |
| 112 | W | A | -0.3121 | |
| 113 | P | A | -0.3147 | |
| 114 | I | A | -0.2201 | |
| 115 | D | A | -0.6500 | |
| 116 | Y | A | -0.4279 | |
| 117 | S | A | -0.8242 | |
| 118 | Q | A | -1.3695 | |
| 119 | P | A | -0.8238 | |
| 120 | V | A | -0.4224 | |
| 121 | D | A | -1.4827 | |
| 122 | K | A | -0.9279 | |
| 123 | A | A | -0.4474 | |
| 124 | G | A | -0.8982 | |
| 125 | D | A | -1.1149 | |
| 126 | Y | A | -0.4368 | |
| 127 | A | A | -0.7748 | |
| 128 | R | A | -1.4482 | |
| 129 | G | A | 0.0000 | |
| 130 | V | A | -1.7102 | |
| 131 | E | A | -2.4020 | |
| 132 | G | A | -1.5181 | |
| 133 | I | A | 0.0000 | |
| 134 | N | A | -2.1701 | |
| 135 | G | A | -1.4501 | |
| 136 | I | A | 0.0000 | |
| 137 | A | A | 0.0000 | |
| 138 | D | A | -2.8239 | |
| 139 | F | A | -1.3905 | |
| 140 | A | A | 0.0000 | |
| 141 | N | A | -2.8784 | |
| 142 | D | A | -2.5094 | |
| 143 | L | A | -1.5263 | |
| 144 | G | A | -1.6214 | |
| 145 | I | A | 0.0000 | |
| 146 | N | A | -1.3291 | |
| 147 | L | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | I | A | 0.0000 | |
| 150 | E | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | N | A | 0.0000 | |
| 154 | R | A | 0.0000 | |
| 155 | F | A | 0.1794 | |
| 156 | E | A | 0.0000 | |
| 157 | N | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | T | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | A | A | -0.1419 | |
| 165 | E | A | -0.4897 | |
| 166 | G | A | 0.0000 | |
| 167 | V | A | -0.5631 | |
| 168 | A | A | -1.0562 | |
| 169 | F | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | K | A | -2.9600 | |
| 172 | D | A | -3.1461 | |
| 173 | V | A | 0.0000 | |
| 174 | G | A | -2.4630 | |
| 175 | K | A | -2.7997 | |
| 176 | N | A | -2.3713 | |
| 177 | N | A | 0.0000 | |
| 178 | V | A | 0.0000 | |
| 179 | K | A | -0.9134 | |
| 180 | V | A | 0.0000 | |
| 181 | M | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | D | A | 0.0000 | |
| 184 | T | A | 0.0000 | |
| 185 | F | A | 0.0000 | |
| 186 | H | A | 0.0000 | |
| 187 | M | A | 0.0000 | |
| 188 | N | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | E | A | -0.4285 | |
| 191 | E | A | -0.7908 | |
| 192 | D | A | -1.1953 | |
| 193 | S | A | -1.0577 | |
| 194 | F | A | 0.0000 | |
| 195 | G | A | -1.1881 | |
| 196 | D | A | -1.6061 | |
| 197 | A | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | R | A | -1.5982 | |
| 200 | T | A | -0.6590 | |
| 201 | A | A | 0.0000 | |
| 202 | G | A | 0.0000 | |
| 203 | P | A | -0.4185 | |
| 204 | L | A | -0.3107 | |
| 205 | L | A | 0.0000 | |
| 206 | G | A | -0.2422 | |
| 207 | H | A | 0.0000 | |
| 208 | F | A | 0.0000 | |
| 209 | H | A | 0.0000 | |
| 210 | T | A | 0.0000 | |
| 211 | G | A | 0.0000 | |
| 212 | E | A | 0.0000 | |
| 213 | S | A | 0.0000 | |
| 214 | N | A | 0.0000 | |
| 215 | R | A | 0.0000 | |
| 216 | R | A | -0.4520 | |
| 217 | V | A | 0.0000 | |
| 218 | P | A | 0.0000 | |
| 219 | G | A | 0.0000 | |
| 220 | K | A | -0.8043 | |
| 221 | G | A | 0.0000 | |
| 222 | R | A | -0.8776 | |
| 223 | M | A | 0.0000 | |
| 224 | P | A | -0.5084 | |
| 225 | W | A | 0.0000 | |
| 226 | H | A | -0.6967 | |
| 227 | E | A | -1.1227 | |
| 228 | I | A | 0.0000 | |
| 229 | G | A | 0.0000 | |
| 230 | L | A | -1.1548 | |
| 231 | A | A | 0.0000 | |
| 232 | L | A | 0.0000 | |
| 233 | R | A | -2.4759 | |
| 234 | D | A | -2.2449 | |
| 235 | I | A | -1.5622 | |
| 236 | N | A | -2.0268 | |
| 237 | Y | A | 0.0000 | |
| 238 | T | A | -0.7566 | |
| 239 | G | A | -0.4201 | |
| 240 | A | A | -0.4108 | |
| 241 | V | A | 0.0000 | |
| 242 | I | A | 0.0000 | |
| 243 | M | A | 0.0000 | |
| 244 | E | A | -0.2142 | |
| 245 | P | A | 0.0000 | |
| 246 | F | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | K | A | -1.3479 | |
| 249 | T | A | -1.1275 | |
| 250 | G | A | -1.2306 | |
| 251 | G | A | -1.2431 | |
| 252 | T | A | -0.9073 | |
| 253 | I | A | 0.0000 | |
| 254 | G | A | 0.0000 | |
| 255 | S | A | -0.6518 | |
| 256 | D | A | -0.5477 | |
| 257 | I | A | 0.0000 | |
| 258 | K | A | -0.4495 | |
| 259 | V | A | 0.0000 | |
| 260 | W | A | 0.0000 | |
| 261 | R | A | -0.9700 | |
| 262 | D | A | -1.4505 | |
| 263 | L | A | -0.7445 | |
| 264 | S | A | 0.0000 | |
| 265 | G | A | -1.2758 | |
| 266 | G | A | -1.2743 | |
| 267 | A | A | 0.0000 | |
| 268 | D | A | -1.2818 | |
| 269 | I | A | 0.4667 | |
| 270 | A | A | -0.5032 | |
| 271 | K | A | -1.8270 | |
| 272 | M | A | 0.0000 | |
| 273 | D | A | -1.7380 | |
| 274 | E | A | -2.7489 | |
| 275 | D | A | -1.8780 | |
| 276 | A | A | 0.0000 | |
| 277 | R | A | -3.0024 | |
| 278 | N | A | -1.9025 | |
| 279 | A | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | A | A | -0.6854 | |
| 282 | F | A | 0.0000 | |
| 283 | S | A | 0.0000 | |
| 284 | R | A | -0.6329 | |
| 285 | F | A | -0.1986 | |
| 286 | V | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | G | A | -0.6757 | |
| 289 | G | A | -0.7977 | |
| 1 | M | B | -0.9507 | |
| 2 | K | B | -1.0513 | |
| 3 | H | B | 0.0000 | |
| 4 | G | B | 0.0000 | |
| 5 | I | B | 0.0000 | |
| 6 | Y | B | 0.0000 | |
| 7 | Y | B | 0.0000 | |
| 8 | S | B | 0.0000 | |
| 9 | Y | B | 0.0000 | |
| 10 | W | B | 0.0000 | |
| 11 | E | B | -1.3195 | |
| 12 | H | B | -1.7507 | |
| 13 | E | B | -1.5681 | |
| 14 | W | B | -0.8925 | |
| 15 | S | B | -1.0186 | |
| 16 | A | B | -1.3132 | |
| 17 | K | B | -1.9151 | |
| 18 | F | B | 0.0000 | |
| 19 | G | B | -1.3384 | |
| 20 | P | B | -1.1440 | |
| 21 | Y | B | -1.2399 | |
| 22 | I | B | 0.0000 | |
| 23 | E | B | -2.8252 | |
| 24 | K | B | -1.9837 | |
| 25 | V | B | 0.0000 | |
| 26 | A | B | -1.6498 | |
| 27 | K | B | -2.5843 | |
| 28 | L | B | -1.9034 | |
| 29 | G | B | -1.2075 | |
| 30 | F | B | 0.0000 | |
| 31 | D | B | -0.6522 | |
| 32 | I | B | 0.0000 | |
| 33 | I | B | 0.0000 | |
| 34 | E | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | A | B | -0.3880 | |
| 37 | A | B | 0.0000 | |
| 38 | H | B | -1.1524 | |
| 39 | H | B | -1.3546 | |
| 40 | I | B | 0.0000 | |
| 41 | N | B | -2.1402 | |
| 42 | E | B | -2.5257 | |
| 43 | Y | B | -1.8505 | |
| 44 | S | B | -1.9445 | |
| 45 | D | B | -2.6905 | |
| 46 | A | B | -1.6523 | |
| 47 | E | B | -2.5216 | |
| 48 | L | B | 0.0000 | |
| 49 | A | B | -1.9335 | |
| 50 | T | B | -1.7191 | |
| 51 | I | B | 0.0000 | |
| 52 | R | B | -2.8563 | |
| 53 | K | B | -3.5145 | |
| 54 | S | B | -2.8183 | |
| 55 | A | B | 0.0000 | |
| 56 | K | B | -3.4388 | |
| 57 | D | B | -3.7207 | |
| 58 | N | B | -2.7434 | |
| 59 | G | B | -2.0798 | |
| 60 | I | B | 0.0000 | |
| 61 | I | B | 0.5257 | |
| 62 | L | B | 0.0000 | |
| 63 | T | B | 0.0000 | |
| 64 | A | B | 0.0000 | |
| 65 | G | B | -0.1593 | |
| 66 | I | B | 0.0000 | |
| 67 | G | B | -0.4885 | |
| 68 | P | B | 0.0000 | |
| 69 | S | B | -1.2264 | |
| 70 | K | B | -2.1018 | |
| 71 | T | B | -1.5428 | |
| 72 | K | B | -1.6971 | |
| 73 | N | B | 0.0000 | |
| 74 | L | B | 0.0000 | |
| 75 | S | B | 0.0000 | |
| 76 | S | B | -2.0212 | |
| 77 | E | B | -2.6885 | |
| 78 | D | B | -2.0509 | |
| 79 | A | B | -1.0885 | |
| 80 | A | B | -0.7701 | |
| 81 | V | B | -1.3858 | |
| 82 | R | B | -1.6181 | |
| 83 | A | B | -0.6457 | |
| 84 | A | B | -0.5525 | |
| 85 | G | B | 0.0000 | |
| 86 | K | B | -1.3715 | |
| 87 | A | B | -1.0942 | |
| 88 | F | B | -1.2150 | |
| 89 | F | B | 0.0000 | |
| 90 | E | B | -1.6525 | |
| 91 | R | B | -2.4276 | |
| 92 | T | B | 0.0000 | |
| 93 | L | B | 0.0000 | |
| 94 | S | B | -1.2886 | |
| 95 | N | B | -1.8823 | |
| 96 | V | B | 0.0000 | |
| 97 | A | B | -1.2305 | |
| 98 | K | B | -1.7307 | |
| 99 | L | B | 0.0000 | |
| 100 | D | B | -1.4728 | |
| 101 | I | B | 0.0000 | |
| 102 | H | B | -1.0358 | |
| 103 | T | B | -0.7584 | |
| 104 | I | B | 0.0000 | |
| 105 | G | B | 0.0000 | |
| 106 | G | B | -0.0621 | |
| 107 | A | B | 0.0000 | |
| 108 | L | B | 0.0000 | |
| 109 | H | B | 0.0000 | |
| 110 | S | B | 0.0000 | |
| 111 | Y | B | -0.5917 | |
| 112 | W | B | -0.3172 | |
| 113 | P | B | -0.3633 | |
| 114 | I | B | -0.1614 | |
| 115 | D | B | -0.7091 | |
| 116 | Y | B | -0.4797 | |
| 117 | S | B | -0.8463 | |
| 118 | Q | B | -1.4006 | |
| 119 | P | B | -0.9071 | |
| 120 | V | B | -0.5890 | |
| 121 | D | B | -1.5579 | |
| 122 | K | B | -0.8952 | |
| 123 | A | B | -0.4435 | |
| 124 | G | B | -0.8714 | |
| 125 | D | B | -1.0834 | |
| 126 | Y | B | -0.3495 | |
| 127 | A | B | -0.6722 | |
| 128 | R | B | -1.3533 | |
| 129 | G | B | 0.0000 | |
| 130 | V | B | -1.5789 | |
| 131 | E | B | -2.2975 | |
| 132 | G | B | -1.4028 | |
| 133 | I | B | 0.0000 | |
| 134 | N | B | -2.0137 | |
| 135 | G | B | -1.3566 | |
| 136 | I | B | 0.0000 | |
| 137 | A | B | 0.0000 | |
| 138 | D | B | -2.6292 | |
| 139 | F | B | -1.3464 | |
| 140 | A | B | 0.0000 | |
| 141 | N | B | -2.4048 | |
| 142 | D | B | -2.2975 | |
| 143 | L | B | -1.3292 | |
| 144 | G | B | -1.5090 | |
| 145 | I | B | 0.0000 | |
| 146 | N | B | -1.1085 | |
| 147 | L | B | 0.0000 | |
| 148 | C | B | 0.0000 | |
| 149 | I | B | 0.0000 | |
| 150 | E | B | 0.0000 | |
| 151 | V | B | 0.0000 | |
| 152 | L | B | 0.0000 | |
| 153 | N | B | 0.0000 | |
| 154 | R | B | 0.0000 | |
| 155 | F | B | 0.1318 | |
| 156 | E | B | -0.0154 | |
| 157 | N | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | V | B | 0.0000 | |
| 160 | L | B | 0.0000 | |
| 161 | N | B | 0.0000 | |
| 162 | T | B | -0.1763 | |
| 163 | A | B | 0.0000 | |
| 164 | A | B | -0.2041 | |
| 165 | E | B | -0.4099 | |
| 166 | G | B | 0.0000 | |
| 167 | V | B | -0.5871 | |
| 168 | A | B | -1.0045 | |
| 169 | F | B | 0.0000 | |
| 170 | V | B | 0.0000 | |
| 171 | K | B | -2.9371 | |
| 172 | D | B | -3.0885 | |
| 173 | V | B | 0.0000 | |
| 174 | G | B | -2.3850 | |
| 175 | K | B | -2.6377 | |
| 176 | N | B | -2.2655 | |
| 177 | N | B | 0.0000 | |
| 178 | V | B | 0.0000 | |
| 179 | K | B | -0.9345 | |
| 180 | V | B | 0.0000 | |
| 181 | M | B | 0.0000 | |
| 182 | L | B | 0.0000 | |
| 183 | D | B | 0.0000 | |
| 184 | T | B | 0.0000 | |
| 185 | F | B | 0.0000 | |
| 186 | H | B | 0.0000 | |
| 187 | M | B | 0.0000 | |
| 188 | N | B | 0.0000 | |
| 189 | I | B | 0.0000 | |
| 190 | E | B | 0.0000 | |
| 191 | E | B | 0.0000 | |
| 192 | D | B | -1.0736 | |
| 193 | S | B | -0.9969 | |
| 194 | F | B | 0.0000 | |
| 195 | G | B | -1.3481 | |
| 196 | D | B | -1.5658 | |
| 197 | A | B | 0.0000 | |
| 198 | I | B | 0.0000 | |
| 199 | R | B | -1.4147 | |
| 200 | T | B | -0.5682 | |
| 201 | A | B | 0.0000 | |
| 202 | G | B | 0.0000 | |
| 203 | P | B | -0.3623 | |
| 204 | L | B | -0.3094 | |
| 205 | L | B | 0.0000 | |
| 206 | G | B | -0.2761 | |
| 207 | H | B | 0.0000 | |
| 208 | F | B | 0.0000 | |
| 209 | H | B | 0.0000 | |
| 210 | T | B | 0.0000 | |
| 211 | G | B | 0.0000 | |
| 212 | E | B | 0.0000 | |
| 213 | S | B | 0.0000 | |
| 214 | N | B | 0.0000 | |
| 215 | R | B | 0.0000 | |
| 216 | R | B | -0.4512 | |
| 217 | V | B | 0.0000 | |
| 218 | P | B | 0.0000 | |
| 219 | G | B | 0.0000 | |
| 220 | K | B | -0.8117 | |
| 221 | G | B | 0.0000 | |
| 222 | R | B | -0.9235 | |
| 223 | M | B | 0.0000 | |
| 224 | P | B | -0.4785 | |
| 225 | W | B | 0.0000 | |
| 226 | H | B | -0.6054 | |
| 227 | E | B | -1.0554 | |
| 228 | I | B | 0.0000 | |
| 229 | G | B | 0.0000 | |
| 230 | L | B | -1.2115 | |
| 231 | A | B | 0.0000 | |
| 232 | L | B | 0.0000 | |
| 233 | R | B | -2.5043 | |
| 234 | D | B | -2.8255 | |
| 235 | I | B | -1.7170 | |
| 236 | N | B | -2.1571 | |
| 237 | Y | B | 0.0000 | |
| 238 | T | B | -0.7934 | |
| 239 | G | B | -0.5077 | |
| 240 | A | B | 0.0000 | |
| 241 | V | B | 0.0000 | |
| 242 | I | B | 0.0000 | |
| 243 | M | B | 0.0000 | |
| 244 | E | B | 0.0000 | |
| 245 | P | B | 0.0000 | |
| 246 | F | B | 0.0000 | |
| 247 | V | B | 0.0000 | |
| 248 | K | B | -1.3935 | |
| 249 | T | B | -1.1217 | |
| 250 | G | B | -1.2216 | |
| 251 | G | B | -1.2162 | |
| 252 | T | B | -0.9121 | |
| 253 | I | B | 0.0000 | |
| 254 | G | B | 0.0000 | |
| 255 | S | B | -0.6389 | |
| 256 | D | B | -0.6165 | |
| 257 | I | B | 0.0000 | |
| 258 | K | B | -0.3804 | |
| 259 | V | B | 0.0000 | |
| 260 | W | B | -0.4498 | |
| 261 | R | B | -0.9753 | |
| 262 | D | B | -1.6173 | |
| 263 | L | B | -0.8110 | |
| 264 | S | B | -1.3055 | |
| 265 | G | B | -1.3502 | |
| 266 | G | B | -1.3509 | |
| 267 | A | B | 0.0000 | |
| 268 | D | B | -1.3939 | |
| 269 | I | B | 0.3765 | |
| 270 | A | B | -0.8081 | |
| 271 | K | B | -2.5470 | |
| 272 | M | B | 0.0000 | |
| 273 | D | B | -1.8613 | |
| 274 | E | B | -3.0905 | |
| 275 | D | B | -2.0561 | |
| 276 | A | B | 0.0000 | |
| 277 | R | B | -2.8216 | |
| 278 | N | B | -1.6347 | |
| 279 | A | B | 0.0000 | |
| 280 | L | B | 0.0000 | |
| 281 | A | B | -0.6529 | |
| 282 | F | B | 0.0000 | |
| 283 | S | B | 0.0000 | |
| 284 | R | B | -0.7440 | |
| 285 | F | B | -0.2878 | |
| 286 | V | B | 0.0000 | |
| 287 | L | B | 0.0000 | |
| 288 | G | B | -0.6925 | |
| 289 | G | B | -0.9066 | |
| 1 | M | C | -0.9303 | |
| 2 | K | C | -1.0800 | |
| 3 | H | C | 0.0000 | |
| 4 | G | C | 0.0000 | |
| 5 | I | C | 0.0000 | |
| 6 | Y | C | 0.0000 | |
| 7 | Y | C | 0.0000 | |
| 8 | S | C | 0.0000 | |
| 9 | Y | C | 0.0000 | |
| 10 | W | C | 0.0000 | |
| 11 | E | C | -1.2640 | |
| 12 | H | C | -1.6884 | |
| 13 | E | C | -1.4727 | |
| 14 | W | C | -0.7986 | |
| 15 | S | C | -0.9534 | |
| 16 | A | C | -1.2919 | |
| 17 | K | C | -1.9013 | |
| 18 | F | C | 0.0000 | |
| 19 | G | C | -1.2809 | |
| 20 | P | C | -1.1495 | |
| 21 | Y | C | -1.2558 | |
| 22 | I | C | 0.0000 | |
| 23 | E | C | -2.9065 | |
| 24 | K | C | -1.9929 | |
| 25 | V | C | 0.0000 | |
| 26 | A | C | -1.6346 | |
| 27 | K | C | -2.5823 | |
| 28 | L | C | -1.8391 | |
| 29 | G | C | -1.3605 | |
| 30 | F | C | 0.0000 | |
| 31 | D | C | -0.5707 | |
| 32 | I | C | 0.0000 | |
| 33 | I | C | 0.0000 | |
| 34 | E | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | A | C | -0.4516 | |
| 37 | A | C | 0.0000 | |
| 38 | H | C | -1.1094 | |
| 39 | H | C | -1.4393 | |
| 40 | I | C | 0.0000 | |
| 41 | N | C | -2.1444 | |
| 42 | E | C | -2.5039 | |
| 43 | Y | C | -1.7908 | |
| 44 | S | C | -1.7711 | |
| 45 | D | C | -2.5335 | |
| 46 | A | C | -1.4282 | |
| 47 | E | C | -2.0749 | |
| 48 | L | C | 0.0000 | |
| 49 | A | C | -1.7256 | |
| 50 | T | C | -1.5366 | |
| 51 | I | C | 0.0000 | |
| 52 | R | C | -2.8617 | |
| 53 | K | C | -3.4390 | |
| 54 | S | C | -2.8328 | |
| 55 | A | C | 0.0000 | |
| 56 | K | C | -3.4941 | |
| 57 | D | C | -3.6822 | |
| 58 | N | C | -2.7277 | |
| 59 | G | C | -2.0193 | |
| 60 | I | C | 0.0000 | |
| 61 | I | C | 0.5297 | |
| 62 | L | C | 0.0000 | |
| 63 | T | C | 0.0000 | |
| 64 | A | C | 0.0000 | |
| 65 | G | C | -0.1546 | |
| 66 | I | C | 0.0000 | |
| 67 | G | C | -0.4305 | |
| 68 | P | C | 0.0000 | |
| 69 | S | C | -1.1581 | |
| 70 | K | C | -1.9974 | |
| 71 | T | C | -1.4406 | |
| 72 | K | C | -1.5698 | |
| 73 | N | C | 0.0000 | |
| 74 | L | C | 0.0000 | |
| 75 | S | C | 0.0000 | |
| 76 | S | C | -2.0923 | |
| 77 | E | C | -2.8458 | |
| 78 | D | C | -2.3396 | |
| 79 | A | C | -1.2498 | |
| 80 | A | C | -0.8620 | |
| 81 | V | C | -1.3341 | |
| 82 | R | C | -1.5617 | |
| 83 | A | C | -0.7494 | |
| 84 | A | C | -0.6129 | |
| 85 | G | C | 0.0000 | |
| 86 | K | C | -1.5432 | |
| 87 | A | C | -1.2317 | |
| 88 | F | C | 0.0000 | |
| 89 | F | C | 0.0000 | |
| 90 | E | C | -1.5557 | |
| 91 | R | C | -2.3837 | |
| 92 | T | C | 0.0000 | |
| 93 | L | C | 0.0000 | |
| 94 | S | C | -1.2152 | |
| 95 | N | C | -1.9346 | |
| 96 | V | C | 0.0000 | |
| 97 | A | C | -1.4730 | |
| 98 | K | C | -1.9478 | |
| 99 | L | C | 0.0000 | |
| 100 | D | C | -2.4129 | |
| 101 | I | C | 0.0000 | |
| 102 | H | C | -1.2854 | |
| 103 | T | C | -0.8563 | |
| 104 | I | C | 0.0000 | |
| 105 | G | C | 0.0000 | |
| 106 | G | C | 0.0000 | |
| 107 | A | C | 0.0000 | |
| 108 | L | C | 0.0000 | |
| 109 | H | C | 0.0000 | |
| 110 | S | C | 0.0000 | |
| 111 | Y | C | -0.5858 | |
| 112 | W | C | -0.3217 | |
| 113 | P | C | -0.3712 | |
| 114 | I | C | -0.3486 | |
| 115 | D | C | -0.9610 | |
| 116 | Y | C | -0.6083 | |
| 117 | S | C | -0.9206 | |
| 118 | Q | C | -1.4956 | |
| 119 | P | C | -1.0031 | |
| 120 | V | C | -0.7521 | |
| 121 | D | C | -1.7600 | |
| 122 | K | C | -1.0110 | |
| 123 | A | C | -0.5329 | |
| 124 | G | C | -0.9949 | |
| 125 | D | C | -1.1791 | |
| 126 | Y | C | -0.4786 | |
| 127 | A | C | -0.7460 | |
| 128 | R | C | -1.3692 | |
| 129 | G | C | 0.0000 | |
| 130 | V | C | -1.6314 | |
| 131 | E | C | -2.3180 | |
| 132 | G | C | -1.4713 | |
| 133 | I | C | 0.0000 | |
| 134 | N | C | -1.9500 | |
| 135 | G | C | -1.2955 | |
| 136 | I | C | 0.0000 | |
| 137 | A | C | 0.0000 | |
| 138 | D | C | -2.5794 | |
| 139 | F | C | -1.1105 | |
| 140 | A | C | 0.0000 | |
| 141 | N | C | -2.3836 | |
| 142 | D | C | -2.2407 | |
| 143 | L | C | -1.4382 | |
| 144 | G | C | -1.5852 | |
| 145 | I | C | 0.0000 | |
| 146 | N | C | -1.2652 | |
| 147 | L | C | 0.0000 | |
| 148 | C | C | 0.0000 | |
| 149 | I | C | 0.0000 | |
| 150 | E | C | 0.0000 | |
| 151 | V | C | 0.0000 | |
| 152 | L | C | 0.0000 | |
| 153 | N | C | 0.0000 | |
| 154 | R | C | 0.0000 | |
| 155 | F | C | 0.0766 | |
| 156 | E | C | -0.0478 | |
| 157 | N | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | V | C | 0.0000 | |
| 160 | L | C | 0.0000 | |
| 161 | N | C | 0.0000 | |
| 162 | T | C | -0.2490 | |
| 163 | A | C | 0.0000 | |
| 164 | A | C | -0.2884 | |
| 165 | E | C | -0.4873 | |
| 166 | G | C | 0.0000 | |
| 167 | V | C | 0.0000 | |
| 168 | A | C | -1.1235 | |
| 169 | F | C | 0.0000 | |
| 170 | V | C | 0.0000 | |
| 171 | K | C | -2.9955 | |
| 172 | D | C | -3.1256 | |
| 173 | V | C | 0.0000 | |
| 174 | G | C | -2.3537 | |
| 175 | K | C | -2.6308 | |
| 176 | N | C | -2.2725 | |
| 177 | N | C | 0.0000 | |
| 178 | V | C | 0.0000 | |
| 179 | K | C | -0.9566 | |
| 180 | V | C | 0.0000 | |
| 181 | M | C | 0.0000 | |
| 182 | L | C | 0.0000 | |
| 183 | D | C | 0.0000 | |
| 184 | T | C | 0.0000 | |
| 185 | F | C | 0.0000 | |
| 186 | H | C | 0.0000 | |
| 187 | M | C | 0.0000 | |
| 188 | N | C | 0.0000 | |
| 189 | I | C | 0.0000 | |
| 190 | E | C | 0.0000 | |
| 191 | E | C | 0.0000 | |
| 192 | D | C | -1.3894 | |
| 193 | S | C | -1.1337 | |
| 194 | F | C | 0.0000 | |
| 195 | G | C | -1.1921 | |
| 196 | D | C | -1.6402 | |
| 197 | A | C | 0.0000 | |
| 198 | I | C | 0.0000 | |
| 199 | R | C | -1.2999 | |
| 200 | T | C | -0.6210 | |
| 201 | A | C | 0.0000 | |
| 202 | G | C | 0.0000 | |
| 203 | P | C | -0.3720 | |
| 204 | L | C | -0.3199 | |
| 205 | L | C | 0.0000 | |
| 206 | G | C | -0.2363 | |
| 207 | H | C | 0.0000 | |
| 208 | F | C | 0.0000 | |
| 209 | H | C | 0.0000 | |
| 210 | T | C | 0.0000 | |
| 211 | G | C | 0.0000 | |
| 212 | E | C | 0.0000 | |
| 213 | S | C | 0.0000 | |
| 214 | N | C | 0.0000 | |
| 215 | R | C | 0.0000 | |
| 216 | R | C | -0.4063 | |
| 217 | V | C | 0.0000 | |
| 218 | P | C | 0.0000 | |
| 219 | G | C | 0.0000 | |
| 220 | K | C | -0.6939 | |
| 221 | G | C | 0.0000 | |
| 222 | R | C | -0.8425 | |
| 223 | M | C | 0.0000 | |
| 224 | P | C | -0.5052 | |
| 225 | W | C | 0.0000 | |
| 226 | H | C | -0.6269 | |
| 227 | E | C | -1.0151 | |
| 228 | I | C | 0.0000 | |
| 229 | G | C | 0.0000 | |
| 230 | L | C | -0.9756 | |
| 231 | A | C | 0.0000 | |
| 232 | L | C | 0.0000 | |
| 233 | R | C | -2.1568 | |
| 234 | D | C | -2.2128 | |
| 235 | I | C | -1.4296 | |
| 236 | N | C | -1.9629 | |
| 237 | Y | C | 0.0000 | |
| 238 | T | C | -0.7669 | |
| 239 | G | C | -0.4994 | |
| 240 | A | C | -0.4480 | |
| 241 | V | C | 0.0000 | |
| 242 | I | C | 0.0000 | |
| 243 | M | C | 0.0000 | |
| 244 | E | C | -0.2234 | |
| 245 | P | C | 0.0000 | |
| 246 | F | C | 0.0000 | |
| 247 | V | C | 0.0000 | |
| 248 | K | C | -1.2504 | |
| 249 | T | C | -1.0094 | |
| 250 | G | C | -1.1774 | |
| 251 | G | C | -1.1710 | |
| 252 | T | C | -0.8278 | |
| 253 | I | C | 0.0000 | |
| 254 | G | C | 0.0000 | |
| 255 | S | C | -0.5417 | |
| 256 | D | C | -0.4596 | |
| 257 | I | C | -0.1256 | |
| 258 | K | C | -0.2842 | |
| 259 | V | C | 0.0000 | |
| 260 | W | C | -0.4485 | |
| 261 | R | C | -0.9019 | |
| 262 | D | C | -1.4132 | |
| 263 | L | C | -0.7140 | |
| 264 | S | C | 0.0000 | |
| 265 | G | C | -1.2683 | |
| 266 | G | C | -1.2617 | |
| 267 | A | C | 0.0000 | |
| 268 | D | C | -1.2662 | |
| 269 | I | C | 0.5416 | |
| 270 | A | C | -0.4821 | |
| 271 | K | C | -1.7347 | |
| 272 | M | C | 0.0000 | |
| 273 | D | C | -1.5579 | |
| 274 | E | C | -2.4869 | |
| 275 | D | C | 0.0000 | |
| 276 | A | C | 0.0000 | |
| 277 | R | C | -2.5630 | |
| 278 | N | C | -1.5224 | |
| 279 | A | C | 0.0000 | |
| 280 | L | C | 0.0000 | |
| 281 | A | C | -0.5738 | |
| 282 | F | C | 0.0000 | |
| 283 | S | C | 0.0000 | |
| 284 | R | C | -0.7484 | |
| 285 | F | C | -0.2518 | |
| 286 | V | C | 0.0000 | |
| 287 | L | C | 0.0000 | |
| 288 | G | C | -0.6852 | |
| 289 | G | C | -0.9254 | |
| 1 | M | D | -0.9157 | |
| 2 | K | D | -1.0611 | |
| 3 | H | D | 0.0000 | |
| 4 | G | D | 0.0000 | |
| 5 | I | D | 0.0000 | |
| 6 | Y | D | 0.1355 | |
| 7 | Y | D | 0.0000 | |
| 8 | S | D | 0.0000 | |
| 9 | Y | D | 0.0000 | |
| 10 | W | D | 0.0000 | |
| 11 | E | D | -1.3200 | |
| 12 | H | D | -1.7827 | |
| 13 | E | D | -1.5623 | |
| 14 | W | D | -0.9840 | |
| 15 | S | D | -1.0749 | |
| 16 | A | D | -1.3321 | |
| 17 | K | D | -1.8264 | |
| 18 | F | D | 0.0000 | |
| 19 | G | D | -1.2023 | |
| 20 | P | D | -1.0752 | |
| 21 | Y | D | -1.1314 | |
| 22 | I | D | 0.0000 | |
| 23 | E | D | -2.7894 | |
| 24 | K | D | -1.9274 | |
| 25 | V | D | 0.0000 | |
| 26 | A | D | -1.8136 | |
| 27 | K | D | -2.5949 | |
| 28 | L | D | -1.9355 | |
| 29 | G | D | -1.1920 | |
| 30 | F | D | 0.0000 | |
| 31 | D | D | -0.5960 | |
| 32 | I | D | 0.0000 | |
| 33 | I | D | 0.0000 | |
| 34 | E | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | A | D | 0.0000 | |
| 37 | A | D | 0.0000 | |
| 38 | H | D | -1.7218 | |
| 39 | H | D | -1.7219 | |
| 40 | I | D | 0.0000 | |
| 41 | N | D | -2.3600 | |
| 42 | E | D | -2.6768 | |
| 43 | Y | D | -2.0751 | |
| 44 | S | D | -1.9026 | |
| 45 | D | D | -2.5591 | |
| 46 | A | D | -1.4885 | |
| 47 | E | D | -2.2252 | |
| 48 | L | D | 0.0000 | |
| 49 | A | D | -1.8205 | |
| 50 | T | D | -1.7277 | |
| 51 | I | D | 0.0000 | |
| 52 | R | D | -2.6133 | |
| 53 | K | D | -3.4978 | |
| 54 | S | D | -2.7605 | |
| 55 | A | D | 0.0000 | |
| 56 | K | D | -3.5086 | |
| 57 | D | D | -3.6786 | |
| 58 | N | D | -2.7947 | |
| 59 | G | D | -2.1702 | |
| 60 | I | D | 0.0000 | |
| 61 | I | D | 0.2530 | |
| 62 | L | D | 0.0000 | |
| 63 | T | D | 0.0000 | |
| 64 | A | D | 0.0000 | |
| 65 | G | D | -0.2101 | |
| 66 | I | D | 0.0000 | |
| 67 | G | D | -0.3759 | |
| 68 | P | D | 0.0000 | |
| 69 | S | D | -1.1076 | |
| 70 | K | D | -2.0563 | |
| 71 | T | D | -1.4570 | |
| 72 | K | D | -1.5462 | |
| 73 | N | D | 0.0000 | |
| 74 | L | D | 0.0000 | |
| 75 | S | D | 0.0000 | |
| 76 | S | D | -2.0754 | |
| 77 | E | D | -2.7676 | |
| 78 | D | D | -2.1791 | |
| 79 | A | D | -1.1442 | |
| 80 | A | D | -0.7062 | |
| 81 | V | D | -1.3734 | |
| 82 | R | D | -1.7035 | |
| 83 | A | D | -0.7079 | |
| 84 | A | D | -0.5910 | |
| 85 | G | D | 0.0000 | |
| 86 | K | D | -1.5463 | |
| 87 | A | D | -1.1575 | |
| 88 | F | D | -1.1788 | |
| 89 | F | D | 0.0000 | |
| 90 | E | D | -1.5638 | |
| 91 | R | D | -2.3648 | |
| 92 | T | D | 0.0000 | |
| 93 | L | D | 0.0000 | |
| 94 | S | D | -0.9652 | |
| 95 | N | D | -1.8057 | |
| 96 | V | D | 0.0000 | |
| 97 | A | D | -1.1585 | |
| 98 | K | D | -1.5332 | |
| 99 | L | D | 0.0000 | |
| 100 | D | D | -2.4156 | |
| 101 | I | D | 0.0000 | |
| 102 | H | D | -1.4125 | |
| 103 | T | D | -0.9202 | |
| 104 | I | D | 0.0000 | |
| 105 | G | D | 0.0000 | |
| 106 | G | D | 0.0000 | |
| 107 | A | D | 0.0000 | |
| 108 | L | D | 0.0000 | |
| 109 | H | D | 0.0000 | |
| 110 | S | D | 0.0000 | |
| 111 | Y | D | -0.5311 | |
| 112 | W | D | -0.2662 | |
| 113 | P | D | -0.3471 | |
| 114 | I | D | -0.3416 | |
| 115 | D | D | -0.8691 | |
| 116 | Y | D | -0.5625 | |
| 117 | S | D | -0.8476 | |
| 118 | Q | D | -1.4456 | |
| 119 | P | D | -0.9360 | |
| 120 | V | D | -0.6417 | |
| 121 | D | D | -1.6813 | |
| 122 | K | D | -0.9518 | |
| 123 | A | D | -0.4965 | |
| 124 | G | D | -0.9503 | |
| 125 | D | D | -0.9480 | |
| 126 | Y | D | -0.4180 | |
| 127 | A | D | -0.7075 | |
| 128 | R | D | -1.3260 | |
| 129 | G | D | 0.0000 | |
| 130 | V | D | -1.6620 | |
| 131 | E | D | -2.3341 | |
| 132 | G | D | -1.5289 | |
| 133 | I | D | 0.0000 | |
| 134 | N | D | -2.0825 | |
| 135 | G | D | -1.4724 | |
| 136 | I | D | 0.0000 | |
| 137 | A | D | 0.0000 | |
| 138 | D | D | -2.6373 | |
| 139 | F | D | -1.2520 | |
| 140 | A | D | 0.0000 | |
| 141 | N | D | -2.4158 | |
| 142 | D | D | -2.2778 | |
| 143 | L | D | -1.3781 | |
| 144 | G | D | -1.5749 | |
| 145 | I | D | 0.0000 | |
| 146 | N | D | -1.3291 | |
| 147 | L | D | 0.0000 | |
| 148 | C | D | 0.0000 | |
| 149 | I | D | 0.0000 | |
| 150 | E | D | -0.2547 | |
| 151 | V | D | 0.0000 | |
| 152 | L | D | 0.0000 | |
| 153 | N | D | 0.0000 | |
| 154 | R | D | 0.0000 | |
| 155 | F | D | 0.0000 | |
| 156 | E | D | -0.1176 | |
| 157 | N | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | V | D | 0.0000 | |
| 160 | L | D | 0.0000 | |
| 161 | N | D | 0.0000 | |
| 162 | T | D | -0.2277 | |
| 163 | A | D | 0.0000 | |
| 164 | A | D | -0.3032 | |
| 165 | E | D | -0.4335 | |
| 166 | G | D | 0.0000 | |
| 167 | V | D | -0.6222 | |
| 168 | A | D | -1.0302 | |
| 169 | F | D | 0.0000 | |
| 170 | V | D | 0.0000 | |
| 171 | K | D | -2.9075 | |
| 172 | D | D | -3.0750 | |
| 173 | V | D | 0.0000 | |
| 174 | G | D | -2.2889 | |
| 175 | K | D | -2.4768 | |
| 176 | N | D | -2.1901 | |
| 177 | N | D | 0.0000 | |
| 178 | V | D | 0.0000 | |
| 179 | K | D | -0.9373 | |
| 180 | V | D | 0.0000 | |
| 181 | M | D | 0.0000 | |
| 182 | L | D | 0.0000 | |
| 183 | D | D | 0.0000 | |
| 184 | T | D | 0.0000 | |
| 185 | F | D | 0.0000 | |
| 186 | H | D | 0.0000 | |
| 187 | M | D | 0.0000 | |
| 188 | N | D | 0.0000 | |
| 189 | I | D | 0.0000 | |
| 190 | E | D | 0.0000 | |
| 191 | E | D | 0.0000 | |
| 192 | D | D | -1.3671 | |
| 193 | S | D | -1.2643 | |
| 194 | F | D | 0.0000 | |
| 195 | G | D | -1.4384 | |
| 196 | D | D | -2.2989 | |
| 197 | A | D | 0.0000 | |
| 198 | I | D | 0.0000 | |
| 199 | R | D | -1.7880 | |
| 200 | T | D | -0.9138 | |
| 201 | A | D | 0.0000 | |
| 202 | G | D | 0.0000 | |
| 203 | P | D | -0.4458 | |
| 204 | L | D | -0.3841 | |
| 205 | L | D | 0.0000 | |
| 206 | G | D | -0.3058 | |
| 207 | H | D | 0.0000 | |
| 208 | F | D | 0.0000 | |
| 209 | H | D | 0.0000 | |
| 210 | T | D | 0.0000 | |
| 211 | G | D | 0.0000 | |
| 212 | E | D | 0.0000 | |
| 213 | S | D | 0.0000 | |
| 214 | N | D | 0.0000 | |
| 215 | R | D | 0.0000 | |
| 216 | R | D | -0.4168 | |
| 217 | V | D | 0.0000 | |
| 218 | P | D | 0.0000 | |
| 219 | G | D | 0.0000 | |
| 220 | K | D | -0.8347 | |
| 221 | G | D | 0.0000 | |
| 222 | R | D | -0.8865 | |
| 223 | M | D | 0.0000 | |
| 224 | P | D | -0.5001 | |
| 225 | W | D | 0.0000 | |
| 226 | H | D | -0.6247 | |
| 227 | E | D | -0.9874 | |
| 228 | I | D | 0.0000 | |
| 229 | G | D | 0.0000 | |
| 230 | L | D | -1.0949 | |
| 231 | A | D | 0.0000 | |
| 232 | L | D | 0.0000 | |
| 233 | R | D | -2.1214 | |
| 234 | D | D | -1.9300 | |
| 235 | I | D | -1.4338 | |
| 236 | N | D | -1.9260 | |
| 237 | Y | D | 0.0000 | |
| 238 | T | D | -0.8323 | |
| 239 | G | D | -0.5152 | |
| 240 | A | D | -0.4873 | |
| 241 | V | D | 0.0000 | |
| 242 | I | D | 0.0000 | |
| 243 | M | D | 0.0000 | |
| 244 | E | D | 0.0000 | |
| 245 | P | D | 0.0000 | |
| 246 | F | D | 0.0000 | |
| 247 | V | D | 0.0000 | |
| 248 | K | D | -1.3710 | |
| 249 | T | D | -1.1878 | |
| 250 | G | D | -1.3613 | |
| 251 | G | D | -1.2555 | |
| 252 | T | D | -0.8808 | |
| 253 | I | D | 0.0000 | |
| 254 | G | D | 0.0000 | |
| 255 | S | D | -0.5217 | |
| 256 | D | D | -0.4079 | |
| 257 | I | D | -0.1284 | |
| 258 | K | D | -0.3901 | |
| 259 | V | D | 0.0000 | |
| 260 | W | D | -0.6864 | |
| 261 | R | D | -1.5632 | |
| 262 | D | D | -1.4776 | |
| 263 | L | D | -0.7736 | |
| 264 | S | D | 0.0000 | |
| 265 | G | D | -1.2930 | |
| 266 | G | D | -1.2080 | |
| 267 | A | D | 0.0000 | |
| 268 | D | D | -1.2918 | |
| 269 | I | D | 0.5209 | |
| 270 | A | D | -0.5122 | |
| 271 | K | D | -1.8709 | |
| 272 | M | D | 0.0000 | |
| 273 | D | D | -1.6816 | |
| 274 | E | D | -2.6837 | |
| 275 | D | D | -1.8355 | |
| 276 | A | D | 0.0000 | |
| 277 | R | D | -2.8039 | |
| 278 | N | D | -1.7807 | |
| 279 | A | D | 0.0000 | |
| 280 | L | D | 0.0000 | |
| 281 | A | D | -0.6592 | |
| 282 | F | D | 0.0000 | |
| 283 | S | D | 0.0000 | |
| 284 | R | D | -0.6886 | |
| 285 | F | D | -0.1860 | |
| 286 | V | D | 0.0000 | |
| 287 | L | D | 0.0000 | |
| 288 | G | D | -0.6851 | |
| 289 | G | D | -0.8006 |
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 | -0.5672 | 2.3899 | View | CSV | PDB |
| 4.5 | -0.6283 | 2.1485 | View | CSV | PDB |
| 5.0 | -0.7008 | 1.8818 | View | CSV | PDB |
| 5.5 | -0.7727 | 1.6639 | View | CSV | PDB |
| 6.0 | -0.8315 | 1.6666 | View | CSV | PDB |
| 6.5 | -0.8686 | 1.6725 | View | CSV | PDB |
| 7.0 | -0.8842 | 1.6819 | View | CSV | PDB |
| 7.5 | -0.8852 | 1.6938 | View | CSV | PDB |
| 8.0 | -0.8768 | 1.7067 | View | CSV | PDB |
| 8.5 | -0.8592 | 1.72 | View | CSV | PDB |
| 9.0 | -0.8302 | 1.7334 | 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