| Chain sequence(s) |
A: PMRICSFNVRSFGESKQEDKNAMDVIVKVIKRCDIILVMEIKDSNNRICPILMEKLNRNSRRGITYNYVISSRLGRNTYKEQYAFLYKEKLVSVKRSYHYHDYQDGDADVFSREPFVVWFQSPHTAVKDFVIIPLHTTPETSVKEIDELVEVYTDVKHRWKAENFIFMGDFNAGCSYVPKKAWKNIRLRTDPRFVWLIGDQEDTTVKKSTNCAYDRIVLRGQEIVSSVVPKSNSVFDFQKAYKLTEEEALDVSDHFPVEFKLQ
C: PMRICSFNVRSFGESKQEDKNAMDVIVKVIKRCDIILVMEIKDSNNRICPILMEKLNRNSRRGITYNYVISSRLGRNTYKEQYAFLYKEKLVSVKRSYHYHDYQDGDADVFSREPFVVWFQSPHTAVKDFVIIPLHTTPETSVKEIDELVEVYTDVKHRWKAENFIFMGDFNAGCSYVPKKAWKNIRLRTDPRFVWLIGDQEDTTVKKSTNCAYDRIVLRGQEIVSSVVPKSNSVFDFQKAYKLTEEEALDVSDHFPVEFKLQ B: PMRICSFNVRSFGESKQEDKNAMDVIVKVIKRCDIILVMEIKDSNNRICPILMEKLNRNSRRGITYNYVISSRLGRNTYKEQYAFLYKEKLVSVKRSYHYHDYQDGDADVFSREPFVVWFQSPHTAVKDFVIIPLHTTPETSVKEIDELVEVYTDVKHRWKAENFIFMGDFNAGCSYVPKKAWKNIRLRTDPRFVWLIGDQEDTTVKKSTNCAYDRIVLRGQEIVSSVVPKSNSVFDFQKAYKLTEEEALDVSDHFPVEFKLQ D: PMRICSFNVRSFGESKQEDKNAMDVIVKVIKRCDIILVMEIKDSNNRICPILMEKLNRNSRRGITYNYVISSRLGRNTYKEQYAFLYKEKLVSVKRSYHYHDYQDGDADVFSREPFVVWFQSPHTAVKDFVIIPLHTTPETSVKEIDELVEVYTDVKHRWKAENFIFMGDFNAGCSYVPKKAWKNIRLRTDPRFVWLIGDQEDTTVKKSTNCAYDRIVLRGQEIVSSVVPKSNSVFDFQKAYKLTEEEALDVSDHFPVEFKLQ input PDB |
| Selected Chain(s) | A,C,B,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 (00:23:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1b8d76ba695d6/tmp/folded.pdb (00:23:28)
[INFO] Main: Simulation completed successfully. (00:29:39)
|
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 |
|---|---|---|---|---|
| 20 | P | A | -0.8802 | |
| 21 | M | A | 0.0000 | |
| 22 | R | A | -0.8748 | |
| 23 | I | A | 0.0000 | |
| 24 | C | A | 0.0000 | |
| 25 | S | A | 0.0000 | |
| 26 | F | A | 0.0000 | |
| 27 | N | A | 0.0000 | |
| 28 | V | A | 0.0000 | |
| 29 | R | A | -1.3561 | |
| 30 | S | A | -1.1136 | |
| 31 | F | A | 0.0000 | |
| 32 | G | A | -2.1919 | |
| 33 | E | A | -3.1052 | |
| 34 | S | A | -2.1309 | |
| 35 | K | A | -2.7984 | |
| 36 | Q | A | -3.1932 | |
| 37 | E | A | -3.6658 | |
| 38 | D | A | -3.6571 | |
| 39 | K | A | -3.8668 | |
| 40 | N | A | -3.6013 | |
| 41 | A | A | 0.0000 | |
| 42 | M | A | 0.0000 | |
| 43 | D | A | -3.1177 | |
| 44 | V | A | 0.0000 | |
| 45 | I | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | K | A | -1.9839 | |
| 48 | V | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | K | A | -1.9980 | |
| 51 | R | A | -1.4317 | |
| 52 | C | A | 0.0000 | |
| 53 | D | A | -1.0750 | |
| 54 | I | A | 0.0000 | |
| 55 | I | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | V | A | 0.0000 | |
| 58 | M | A | 0.0000 | |
| 59 | E | A | -0.8751 | |
| 60 | I | A | 0.0000 | |
| 61 | K | A | -1.9085 | |
| 62 | D | A | -2.0726 | |
| 63 | S | A | -1.7988 | |
| 64 | N | A | -2.3354 | |
| 65 | N | A | -2.2746 | |
| 66 | R | A | 0.0000 | |
| 67 | I | A | 0.0000 | |
| 68 | C | A | -0.1226 | |
| 69 | P | A | -0.3485 | |
| 70 | I | A | 0.0000 | |
| 71 | L | A | 0.2899 | |
| 72 | M | A | 0.2574 | |
| 73 | E | A | -1.2329 | |
| 74 | K | A | 0.0000 | |
| 75 | L | A | -1.0937 | |
| 76 | N | A | -2.3967 | |
| 77 | R | A | -3.4439 | |
| 78 | N | A | -3.3196 | |
| 79 | S | A | -2.9338 | |
| 80 | R | A | -3.2144 | |
| 81 | R | A | -3.3077 | |
| 82 | G | A | -2.5663 | |
| 83 | I | A | -1.9862 | |
| 84 | T | A | -1.7743 | |
| 85 | Y | A | 0.0000 | |
| 86 | N | A | -0.7395 | |
| 87 | Y | A | 0.2436 | |
| 88 | V | A | 0.6382 | |
| 89 | I | A | 0.5412 | |
| 90 | S | A | 0.0000 | |
| 91 | S | A | -0.6078 | |
| 92 | R | A | -1.6420 | |
| 93 | L | A | 0.0000 | |
| 94 | G | A | -1.9075 | |
| 95 | R | A | -2.7317 | |
| 96 | N | A | -2.5581 | |
| 97 | T | A | -1.4466 | |
| 98 | Y | A | -1.3556 | |
| 99 | K | A | -2.0243 | |
| 100 | E | A | 0.0000 | |
| 101 | Q | A | 0.0000 | |
| 102 | Y | A | 0.0000 | |
| 103 | A | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | Y | A | 0.0000 | |
| 107 | K | A | -1.5731 | |
| 108 | E | A | -2.2495 | |
| 109 | K | A | -2.4572 | |
| 110 | L | A | -1.3446 | |
| 111 | V | A | 0.0000 | |
| 112 | S | A | -0.9612 | |
| 113 | V | A | -0.2321 | |
| 114 | K | A | -0.9576 | |
| 115 | R | A | -0.8089 | |
| 116 | S | A | -0.2158 | |
| 117 | Y | A | 0.0000 | |
| 118 | H | A | 0.0000 | |
| 119 | Y | A | 0.0000 | |
| 120 | H | A | -0.9396 | |
| 121 | D | A | -1.8743 | |
| 122 | Y | A | -1.3181 | |
| 123 | Q | A | -2.4649 | |
| 124 | D | A | -3.0796 | |
| 125 | G | A | -2.6688 | |
| 126 | D | A | -2.6651 | |
| 127 | A | A | -1.9404 | |
| 128 | D | A | -2.4322 | |
| 129 | V | A | -1.2592 | |
| 130 | F | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | R | A | 0.0000 | |
| 133 | E | A | -0.5114 | |
| 134 | P | A | 0.0000 | |
| 135 | F | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | W | A | 0.0000 | |
| 139 | F | A | 0.0000 | |
| 140 | Q | A | -1.1347 | |
| 141 | S | A | 0.0000 | |
| 142 | P | A | -1.3415 | |
| 143 | H | A | -1.4478 | |
| 144 | T | A | 0.0000 | |
| 145 | A | A | -1.1879 | |
| 146 | V | A | 0.0000 | |
| 147 | K | A | -2.0587 | |
| 148 | D | A | -1.4743 | |
| 149 | F | A | 0.0000 | |
| 150 | V | A | 0.0000 | |
| 151 | I | A | 0.0000 | |
| 152 | I | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | H | A | 0.0000 | |
| 156 | T | A | 0.0000 | |
| 157 | T | A | 0.0000 | |
| 158 | P | A | -0.3497 | |
| 159 | E | A | -0.8862 | |
| 160 | T | A | -0.6569 | |
| 161 | S | A | 0.0000 | |
| 162 | V | A | -1.0711 | |
| 163 | K | A | -1.8710 | |
| 164 | E | A | 0.0000 | |
| 165 | I | A | 0.0000 | |
| 166 | D | A | 0.0000 | |
| 167 | E | A | -0.8945 | |
| 168 | L | A | 0.0000 | |
| 169 | V | A | -0.5070 | |
| 170 | E | A | -1.1163 | |
| 171 | V | A | 0.0000 | |
| 172 | Y | A | -0.8712 | |
| 173 | T | A | -1.0320 | |
| 174 | D | A | -1.1927 | |
| 175 | V | A | 0.0000 | |
| 176 | K | A | -2.6989 | |
| 177 | H | A | -2.2463 | |
| 178 | R | A | -1.5936 | |
| 179 | W | A | 0.0000 | |
| 180 | K | A | -2.6330 | |
| 181 | A | A | 0.0000 | |
| 182 | E | A | -2.9598 | |
| 183 | N | A | 0.0000 | |
| 184 | F | A | 0.0000 | |
| 185 | I | A | 0.0000 | |
| 186 | F | A | 0.0000 | |
| 187 | M | A | 0.0000 | |
| 188 | G | A | 0.0000 | |
| 189 | D | A | 0.0000 | |
| 190 | F | A | 0.0000 | |
| 191 | N | A | -0.1297 | |
| 192 | A | A | 0.0000 | |
| 193 | G | A | -0.8462 | |
| 194 | C | A | -0.3079 | |
| 195 | S | A | -0.3229 | |
| 196 | Y | A | -0.2312 | |
| 197 | V | A | 0.0000 | |
| 198 | P | A | -1.3198 | |
| 199 | K | A | -2.9106 | |
| 200 | K | A | -3.1450 | |
| 201 | A | A | 0.0000 | |
| 202 | W | A | 0.0000 | |
| 203 | K | A | -3.1896 | |
| 204 | N | A | -2.8287 | |
| 205 | I | A | 0.0000 | |
| 206 | R | A | -2.0345 | |
| 207 | L | A | 0.0000 | |
| 208 | R | A | -1.5461 | |
| 209 | T | A | -1.7358 | |
| 210 | D | A | -1.4046 | |
| 211 | P | A | -1.4355 | |
| 212 | R | A | -2.1744 | |
| 213 | F | A | 0.0000 | |
| 214 | V | A | -0.1364 | |
| 215 | W | A | -0.0667 | |
| 216 | L | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | G | A | -1.2544 | |
| 219 | D | A | -2.2874 | |
| 220 | Q | A | -2.3781 | |
| 221 | E | A | -1.9728 | |
| 222 | D | A | -1.8802 | |
| 223 | T | A | 0.0000 | |
| 224 | T | A | 0.0000 | |
| 225 | V | A | 0.0000 | |
| 226 | K | A | -2.0322 | |
| 227 | K | A | -2.4091 | |
| 228 | S | A | -1.2468 | |
| 229 | T | A | 0.0000 | |
| 230 | N | A | -2.2341 | |
| 231 | C | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | Y | A | 0.0000 | |
| 234 | D | A | 0.0000 | |
| 235 | R | A | 0.0000 | |
| 236 | I | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | L | A | 0.0000 | |
| 239 | R | A | -1.3329 | |
| 240 | G | A | -2.0167 | |
| 241 | Q | A | -2.5199 | |
| 242 | E | A | -2.7588 | |
| 243 | I | A | 0.0000 | |
| 244 | V | A | -0.6434 | |
| 245 | S | A | -0.9287 | |
| 246 | S | A | 0.0000 | |
| 247 | V | A | -0.6576 | |
| 248 | V | A | -0.7435 | |
| 249 | P | A | -1.1763 | |
| 250 | K | A | -1.9424 | |
| 251 | S | A | 0.0000 | |
| 252 | N | A | -1.0498 | |
| 253 | S | A | -0.6536 | |
| 254 | V | A | 0.0487 | |
| 255 | F | A | -0.0690 | |
| 256 | D | A | -0.8739 | |
| 257 | F | A | 0.0000 | |
| 258 | Q | A | -2.0231 | |
| 259 | K | A | -2.3942 | |
| 260 | A | A | -1.2723 | |
| 261 | Y | A | -1.2203 | |
| 262 | K | A | -2.3975 | |
| 263 | L | A | -1.8308 | |
| 264 | T | A | -1.8499 | |
| 265 | E | A | -2.8119 | |
| 266 | E | A | -3.0499 | |
| 267 | E | A | -2.8749 | |
| 268 | A | A | 0.0000 | |
| 269 | L | A | -2.0002 | |
| 270 | D | A | -2.9637 | |
| 271 | V | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | D | A | -1.0040 | |
| 274 | H | A | 0.0000 | |
| 275 | F | A | 0.0000 | |
| 276 | P | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | E | A | 0.0000 | |
| 279 | F | A | 0.0000 | |
| 280 | K | A | -1.1769 | |
| 281 | L | A | 0.0000 | |
| 282 | Q | A | -1.3382 | |
| 20 | P | B | -0.9750 | |
| 21 | M | B | 0.0000 | |
| 22 | R | B | -0.9042 | |
| 23 | I | B | 0.0000 | |
| 24 | C | B | 0.0000 | |
| 25 | S | B | 0.0000 | |
| 26 | F | B | 0.0000 | |
| 27 | N | B | 0.0000 | |
| 28 | V | B | 0.0000 | |
| 29 | R | B | -1.0177 | |
| 30 | S | B | -0.8928 | |
| 31 | F | B | 0.0000 | |
| 32 | G | B | -2.0818 | |
| 33 | E | B | -3.1670 | |
| 34 | S | B | -2.1101 | |
| 35 | K | B | -2.7512 | |
| 36 | Q | B | -3.2217 | |
| 37 | E | B | -3.6191 | |
| 38 | D | B | -3.7107 | |
| 39 | K | B | -3.7213 | |
| 40 | N | B | -3.5033 | |
| 41 | A | B | 0.0000 | |
| 42 | M | B | 0.0000 | |
| 43 | D | B | -2.8976 | |
| 44 | V | B | 0.0000 | |
| 45 | I | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | K | B | -1.7985 | |
| 48 | V | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | K | B | -1.8759 | |
| 51 | R | B | -1.3822 | |
| 52 | C | B | 0.0000 | |
| 53 | D | B | -1.0375 | |
| 54 | I | B | 0.0000 | |
| 55 | I | B | 0.0000 | |
| 56 | L | B | 0.0000 | |
| 57 | V | B | 0.0000 | |
| 58 | M | B | 0.0000 | |
| 59 | E | B | -0.6958 | |
| 60 | I | B | 0.0000 | |
| 61 | K | B | -1.7054 | |
| 62 | D | B | -1.9778 | |
| 63 | S | B | -1.7501 | |
| 64 | N | B | -2.1478 | |
| 65 | N | B | -1.9242 | |
| 66 | R | B | -1.7209 | |
| 67 | I | B | 0.0000 | |
| 68 | C | B | -0.2136 | |
| 69 | P | B | -0.3430 | |
| 70 | I | B | 0.0000 | |
| 71 | L | B | -0.0191 | |
| 72 | M | B | -0.1252 | |
| 73 | E | B | -1.8864 | |
| 74 | K | B | 0.0000 | |
| 75 | L | B | -1.5065 | |
| 76 | N | B | -2.4052 | |
| 77 | R | B | -3.2327 | |
| 78 | N | B | -2.8582 | |
| 79 | S | B | -2.4563 | |
| 80 | R | B | -3.1296 | |
| 81 | R | B | -3.4181 | |
| 82 | G | B | -2.3380 | |
| 83 | I | B | -1.8201 | |
| 84 | T | B | 0.0000 | |
| 85 | Y | B | 0.0000 | |
| 86 | N | B | -0.6504 | |
| 87 | Y | B | 0.2211 | |
| 88 | V | B | 0.5829 | |
| 89 | I | B | 0.4197 | |
| 90 | S | B | 0.0000 | |
| 91 | S | B | -0.9850 | |
| 92 | R | B | -2.0111 | |
| 93 | L | B | 0.0000 | |
| 94 | G | B | -1.2866 | |
| 95 | R | B | -1.5331 | |
| 96 | N | B | -1.4921 | |
| 97 | T | B | -1.2707 | |
| 98 | Y | B | -0.8424 | |
| 99 | K | B | -1.5869 | |
| 100 | E | B | 0.0000 | |
| 101 | Q | B | -0.8909 | |
| 102 | Y | B | 0.0000 | |
| 103 | A | B | 0.0000 | |
| 104 | F | B | 0.0000 | |
| 105 | L | B | 0.0000 | |
| 106 | Y | B | 0.0000 | |
| 107 | K | B | -1.5819 | |
| 108 | E | B | -2.1562 | |
| 109 | K | B | -2.6155 | |
| 110 | L | B | -1.3341 | |
| 111 | V | B | 0.0000 | |
| 112 | S | B | -0.8852 | |
| 113 | V | B | -0.2812 | |
| 114 | K | B | -0.9138 | |
| 115 | R | B | -0.7435 | |
| 116 | S | B | -0.1750 | |
| 117 | Y | B | 0.0000 | |
| 118 | H | B | 0.0000 | |
| 119 | Y | B | 0.0000 | |
| 120 | H | B | -1.2558 | |
| 121 | D | B | -2.3787 | |
| 122 | Y | B | -1.6004 | |
| 123 | Q | B | -2.5923 | |
| 124 | D | B | -3.6952 | |
| 125 | G | B | -3.3310 | |
| 126 | D | B | -3.4423 | |
| 127 | A | B | -2.1696 | |
| 128 | D | B | -3.0572 | |
| 129 | V | B | -1.7998 | |
| 130 | F | B | 0.0000 | |
| 131 | S | B | -0.9274 | |
| 132 | R | B | 0.0000 | |
| 133 | E | B | -0.6643 | |
| 134 | P | B | 0.0000 | |
| 135 | F | B | 0.0000 | |
| 136 | V | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | W | B | -0.2735 | |
| 139 | F | B | 0.0000 | |
| 140 | Q | B | -1.2630 | |
| 141 | S | B | 0.0000 | |
| 142 | P | B | -1.5128 | |
| 143 | H | B | -1.7929 | |
| 144 | T | B | 0.0000 | |
| 145 | A | B | -1.2614 | |
| 146 | V | B | 0.0000 | |
| 147 | K | B | -2.2483 | |
| 148 | D | B | -1.7430 | |
| 149 | F | B | 0.0000 | |
| 150 | V | B | 0.0000 | |
| 151 | I | B | 0.0000 | |
| 152 | I | B | 0.0000 | |
| 153 | P | B | 0.0000 | |
| 154 | L | B | 0.0000 | |
| 155 | H | B | 0.0000 | |
| 156 | T | B | 0.0000 | |
| 157 | T | B | -0.2024 | |
| 158 | P | B | -0.1539 | |
| 159 | E | B | -0.7152 | |
| 160 | T | B | -0.6180 | |
| 161 | S | B | 0.0000 | |
| 162 | V | B | -0.7301 | |
| 163 | K | B | -1.8606 | |
| 164 | E | B | 0.0000 | |
| 165 | I | B | 0.0000 | |
| 166 | D | B | 0.0000 | |
| 167 | E | B | -0.9862 | |
| 168 | L | B | 0.0000 | |
| 169 | V | B | -0.6403 | |
| 170 | E | B | -1.2366 | |
| 171 | V | B | 0.0000 | |
| 172 | Y | B | -0.7907 | |
| 173 | T | B | -1.0587 | |
| 174 | D | B | -1.2069 | |
| 175 | V | B | 0.0000 | |
| 176 | K | B | -2.4220 | |
| 177 | H | B | -2.0178 | |
| 178 | R | B | 0.0000 | |
| 179 | W | B | 0.0000 | |
| 180 | K | B | -2.7510 | |
| 181 | A | B | 0.0000 | |
| 182 | E | B | -2.9298 | |
| 183 | N | B | 0.0000 | |
| 184 | F | B | 0.0000 | |
| 185 | I | B | 0.0000 | |
| 186 | F | B | 0.0000 | |
| 187 | M | B | 0.0000 | |
| 188 | G | B | 0.0000 | |
| 189 | D | B | 0.0000 | |
| 190 | F | B | 0.0000 | |
| 191 | N | B | 0.0000 | |
| 192 | A | B | 0.0000 | |
| 193 | G | B | -0.6467 | |
| 194 | C | B | 0.0576 | |
| 195 | S | B | -0.4479 | |
| 196 | Y | B | 0.0422 | |
| 197 | V | B | 0.0000 | |
| 198 | P | B | -1.1560 | |
| 199 | K | B | -2.9051 | |
| 200 | K | B | -3.1393 | |
| 201 | A | B | -2.1911 | |
| 202 | W | B | 0.0000 | |
| 203 | K | B | -3.2600 | |
| 204 | N | B | -2.8430 | |
| 205 | I | B | 0.0000 | |
| 206 | R | B | -2.2013 | |
| 207 | L | B | 0.0000 | |
| 208 | R | B | -1.5936 | |
| 209 | T | B | -1.7945 | |
| 210 | D | B | -1.4442 | |
| 211 | P | B | -1.4548 | |
| 212 | R | B | -2.1842 | |
| 213 | F | B | 0.0000 | |
| 214 | V | B | -0.1263 | |
| 215 | W | B | -0.0884 | |
| 216 | L | B | -0.1038 | |
| 217 | I | B | 0.0000 | |
| 218 | G | B | -1.5275 | |
| 219 | D | B | -2.6617 | |
| 220 | Q | B | -2.5962 | |
| 221 | E | B | -1.9591 | |
| 222 | D | B | -1.9352 | |
| 223 | T | B | 0.0000 | |
| 224 | T | B | 0.0000 | |
| 225 | V | B | 0.0000 | |
| 226 | K | B | -2.3756 | |
| 227 | K | B | -2.6112 | |
| 228 | S | B | -1.6171 | |
| 229 | T | B | -1.5209 | |
| 230 | N | B | -2.1278 | |
| 231 | C | B | 0.0000 | |
| 232 | A | B | 0.0000 | |
| 233 | Y | B | -0.2524 | |
| 234 | D | B | 0.0000 | |
| 235 | R | B | 0.0000 | |
| 236 | I | B | 0.0000 | |
| 237 | V | B | 0.0000 | |
| 238 | L | B | 0.0000 | |
| 239 | R | B | -1.3410 | |
| 240 | G | B | -2.0075 | |
| 241 | Q | B | -2.4913 | |
| 242 | E | B | -2.6879 | |
| 243 | I | B | 0.0000 | |
| 244 | V | B | -0.5916 | |
| 245 | S | B | -0.9134 | |
| 246 | S | B | -0.8603 | |
| 247 | V | B | -0.6520 | |
| 248 | V | B | -0.8124 | |
| 249 | P | B | -1.1972 | |
| 250 | K | B | -1.9155 | |
| 251 | S | B | -1.1487 | |
| 252 | N | B | -0.9561 | |
| 253 | S | B | -0.5753 | |
| 254 | V | B | 0.0566 | |
| 255 | F | B | -0.0838 | |
| 256 | D | B | -0.9092 | |
| 257 | F | B | 0.0000 | |
| 258 | Q | B | -1.9913 | |
| 259 | K | B | -2.4641 | |
| 260 | A | B | -1.3079 | |
| 261 | Y | B | -1.2570 | |
| 262 | K | B | -2.3939 | |
| 263 | L | B | -1.7471 | |
| 264 | T | B | -1.6732 | |
| 265 | E | B | -2.6384 | |
| 266 | E | B | -2.9271 | |
| 267 | E | B | -2.8506 | |
| 268 | A | B | 0.0000 | |
| 269 | L | B | -1.9317 | |
| 270 | D | B | -2.7534 | |
| 271 | V | B | 0.0000 | |
| 272 | S | B | 0.0000 | |
| 273 | D | B | -0.9079 | |
| 274 | H | B | -0.4544 | |
| 275 | F | B | 0.0000 | |
| 276 | P | B | 0.0000 | |
| 277 | V | B | 0.0000 | |
| 278 | E | B | 0.0000 | |
| 279 | F | B | 0.0000 | |
| 280 | K | B | -1.1772 | |
| 281 | L | B | 0.0000 | |
| 282 | Q | B | -1.4849 | |
| 20 | P | C | -0.9817 | |
| 21 | M | C | 0.0000 | |
| 22 | R | C | -0.9717 | |
| 23 | I | C | 0.0000 | |
| 24 | C | C | 0.0000 | |
| 25 | S | C | 0.0000 | |
| 26 | F | C | 0.0000 | |
| 27 | N | C | 0.0000 | |
| 28 | V | C | 0.0000 | |
| 29 | R | C | -1.3060 | |
| 30 | S | C | -1.3626 | |
| 31 | F | C | 0.0000 | |
| 32 | G | C | -2.1439 | |
| 33 | E | C | -3.1029 | |
| 34 | S | C | -1.9905 | |
| 35 | K | C | -2.5703 | |
| 36 | Q | C | -2.6572 | |
| 37 | E | C | -3.4492 | |
| 38 | D | C | -3.5781 | |
| 39 | K | C | -3.5011 | |
| 40 | N | C | -3.3658 | |
| 41 | A | C | 0.0000 | |
| 42 | M | C | 0.0000 | |
| 43 | D | C | -2.2088 | |
| 44 | V | C | 0.0000 | |
| 45 | I | C | 0.0000 | |
| 46 | V | C | -1.1019 | |
| 47 | K | C | -1.3364 | |
| 48 | V | C | 0.0000 | |
| 49 | I | C | 0.0000 | |
| 50 | K | C | -1.4389 | |
| 51 | R | C | -1.0954 | |
| 52 | C | C | 0.0000 | |
| 53 | D | C | -0.9395 | |
| 54 | I | C | 0.0000 | |
| 55 | I | C | 0.0000 | |
| 56 | L | C | 0.0000 | |
| 57 | V | C | 0.0000 | |
| 58 | M | C | 0.0000 | |
| 59 | E | C | -1.0022 | |
| 60 | I | C | 0.0000 | |
| 61 | K | C | -2.2656 | |
| 62 | D | C | -2.4489 | |
| 63 | S | C | -1.9328 | |
| 64 | N | C | -2.1635 | |
| 65 | N | C | -1.7032 | |
| 66 | R | C | -1.3602 | |
| 67 | I | C | 0.0000 | |
| 68 | C | C | 0.1267 | |
| 69 | P | C | -0.1785 | |
| 70 | I | C | 0.0000 | |
| 71 | L | C | 0.0430 | |
| 72 | M | C | -0.1521 | |
| 73 | E | C | -1.8402 | |
| 74 | K | C | 0.0000 | |
| 75 | L | C | -1.3852 | |
| 76 | N | C | -2.3990 | |
| 77 | R | C | -3.4229 | |
| 78 | N | C | -3.1397 | |
| 79 | S | C | -2.7072 | |
| 80 | R | C | -3.3679 | |
| 81 | R | C | -3.4492 | |
| 82 | G | C | -2.3005 | |
| 83 | I | C | -1.8178 | |
| 84 | T | C | -1.2471 | |
| 85 | Y | C | 0.0000 | |
| 86 | N | C | -0.4901 | |
| 87 | Y | C | 0.3661 | |
| 88 | V | C | 0.6767 | |
| 89 | I | C | 0.5675 | |
| 90 | S | C | 0.0000 | |
| 91 | S | C | -0.8064 | |
| 92 | R | C | -1.5442 | |
| 93 | L | C | 0.0000 | |
| 94 | G | C | -1.7403 | |
| 95 | R | C | -2.7487 | |
| 96 | N | C | -2.0393 | |
| 97 | T | C | -1.0292 | |
| 98 | Y | C | -0.1441 | |
| 99 | K | C | -1.6648 | |
| 100 | E | C | 0.0000 | |
| 101 | Q | C | -0.9986 | |
| 102 | Y | C | 0.0000 | |
| 103 | A | C | 0.0000 | |
| 104 | F | C | 0.0000 | |
| 105 | L | C | 0.0000 | |
| 106 | Y | C | 0.0000 | |
| 107 | K | C | -1.1435 | |
| 108 | E | C | -1.6525 | |
| 109 | K | C | -2.2420 | |
| 110 | L | C | -1.2617 | |
| 111 | V | C | 0.0000 | |
| 112 | S | C | -0.8673 | |
| 113 | V | C | -0.2289 | |
| 114 | K | C | -0.9696 | |
| 115 | R | C | -0.8209 | |
| 116 | S | C | -0.1655 | |
| 117 | Y | C | 0.0000 | |
| 118 | H | C | -0.2787 | |
| 119 | Y | C | 0.0000 | |
| 120 | H | C | -0.7732 | |
| 121 | D | C | -1.7174 | |
| 122 | Y | C | -1.2239 | |
| 123 | Q | C | -2.3733 | |
| 124 | D | C | -2.9496 | |
| 125 | G | C | -2.4219 | |
| 126 | D | C | -2.2367 | |
| 127 | A | C | -1.9256 | |
| 128 | D | C | -2.5544 | |
| 129 | V | C | -1.5312 | |
| 130 | F | C | 0.0000 | |
| 131 | S | C | -1.3449 | |
| 132 | R | C | -1.0229 | |
| 133 | E | C | -0.8298 | |
| 134 | P | C | 0.0000 | |
| 135 | F | C | 0.0000 | |
| 136 | V | C | 0.0000 | |
| 137 | V | C | 0.0000 | |
| 138 | W | C | 0.0000 | |
| 139 | F | C | 0.0000 | |
| 140 | Q | C | -1.4066 | |
| 141 | S | C | 0.0000 | |
| 142 | P | C | -1.6202 | |
| 143 | H | C | -1.8391 | |
| 144 | T | C | 0.0000 | |
| 145 | A | C | -1.3060 | |
| 146 | V | C | 0.0000 | |
| 147 | K | C | -2.4254 | |
| 148 | D | C | -1.7280 | |
| 149 | F | C | 0.0000 | |
| 150 | V | C | 0.0000 | |
| 151 | I | C | 0.0000 | |
| 152 | I | C | 0.0000 | |
| 153 | P | C | 0.0000 | |
| 154 | L | C | 0.0000 | |
| 155 | H | C | 0.0000 | |
| 156 | T | C | 0.0000 | |
| 157 | T | C | -0.5576 | |
| 158 | P | C | -0.8302 | |
| 159 | E | C | -1.8925 | |
| 160 | T | C | -1.1918 | |
| 161 | S | C | 0.0000 | |
| 162 | V | C | -0.9141 | |
| 163 | K | C | -2.0797 | |
| 164 | E | C | 0.0000 | |
| 165 | I | C | 0.0000 | |
| 166 | D | C | -1.4927 | |
| 167 | E | C | -1.0694 | |
| 168 | L | C | 0.0000 | |
| 169 | V | C | -0.6871 | |
| 170 | E | C | -1.1969 | |
| 171 | V | C | 0.0000 | |
| 172 | Y | C | 0.0000 | |
| 173 | T | C | -0.9818 | |
| 174 | D | C | -1.1398 | |
| 175 | V | C | 0.0000 | |
| 176 | K | C | -2.2245 | |
| 177 | H | C | -2.0090 | |
| 178 | R | C | -1.3609 | |
| 179 | W | C | 0.0000 | |
| 180 | K | C | -2.1336 | |
| 181 | A | C | 0.0000 | |
| 182 | E | C | -2.7665 | |
| 183 | N | C | 0.0000 | |
| 184 | F | C | 0.0000 | |
| 185 | I | C | 0.0000 | |
| 186 | F | C | 0.0000 | |
| 187 | M | C | 0.0000 | |
| 188 | G | C | 0.0000 | |
| 189 | D | C | 0.0000 | |
| 190 | F | C | 0.0000 | |
| 191 | N | C | -0.0588 | |
| 192 | A | C | 0.0000 | |
| 193 | G | C | -0.4175 | |
| 194 | C | C | 0.2527 | |
| 195 | S | C | -0.0600 | |
| 196 | Y | C | 0.0897 | |
| 197 | V | C | 0.0000 | |
| 198 | P | C | -1.0776 | |
| 199 | K | C | -2.7681 | |
| 200 | K | C | -3.1522 | |
| 201 | A | C | -2.1317 | |
| 202 | W | C | 0.0000 | |
| 203 | K | C | -3.2463 | |
| 204 | N | C | -2.8624 | |
| 205 | I | C | 0.0000 | |
| 206 | R | C | -2.1629 | |
| 207 | L | C | 0.0000 | |
| 208 | R | C | -1.6073 | |
| 209 | T | C | -1.7907 | |
| 210 | D | C | -1.4357 | |
| 211 | P | C | -1.4520 | |
| 212 | R | C | -2.1829 | |
| 213 | F | C | 0.0000 | |
| 214 | V | C | -0.1161 | |
| 215 | W | C | 0.0393 | |
| 216 | L | C | 0.0111 | |
| 217 | I | C | 0.0000 | |
| 218 | G | C | -1.0141 | |
| 219 | D | C | -1.8482 | |
| 220 | Q | C | -2.1480 | |
| 221 | E | C | -1.6910 | |
| 222 | D | C | -1.7812 | |
| 223 | T | C | 0.0000 | |
| 224 | T | C | 0.0000 | |
| 225 | V | C | 0.0000 | |
| 226 | K | C | -2.1682 | |
| 227 | K | C | -2.5204 | |
| 228 | S | C | -1.5559 | |
| 229 | T | C | -1.4795 | |
| 230 | N | C | -2.1880 | |
| 231 | C | C | 0.0000 | |
| 232 | A | C | 0.0000 | |
| 233 | Y | C | -0.1366 | |
| 234 | D | C | 0.0000 | |
| 235 | R | C | 0.0000 | |
| 236 | I | C | 0.0000 | |
| 237 | V | C | 0.0000 | |
| 238 | L | C | 0.0000 | |
| 239 | R | C | -1.3351 | |
| 240 | G | C | 0.0000 | |
| 241 | Q | C | -2.5090 | |
| 242 | E | C | -2.7658 | |
| 243 | I | C | 0.0000 | |
| 244 | V | C | -0.6065 | |
| 245 | S | C | -0.9407 | |
| 246 | S | C | 0.0000 | |
| 247 | V | C | -0.6333 | |
| 248 | V | C | -0.8708 | |
| 249 | P | C | -1.2258 | |
| 250 | K | C | -1.9377 | |
| 251 | S | C | 0.0000 | |
| 252 | N | C | -1.0054 | |
| 253 | S | C | -0.5948 | |
| 254 | V | C | 0.0693 | |
| 255 | F | C | -0.0862 | |
| 256 | D | C | -0.8945 | |
| 257 | F | C | 0.0000 | |
| 258 | Q | C | -2.0904 | |
| 259 | K | C | -2.4597 | |
| 260 | A | C | -1.2923 | |
| 261 | Y | C | -1.2323 | |
| 262 | K | C | -2.4544 | |
| 263 | L | C | -1.9488 | |
| 264 | T | C | -1.8827 | |
| 265 | E | C | -2.8308 | |
| 266 | E | C | -3.2537 | |
| 267 | E | C | -3.4958 | |
| 268 | A | C | 0.0000 | |
| 269 | L | C | -2.2215 | |
| 270 | D | C | -3.1738 | |
| 271 | V | C | 0.0000 | |
| 272 | S | C | 0.0000 | |
| 273 | D | C | -0.9316 | |
| 274 | H | C | 0.0000 | |
| 275 | F | C | 0.0000 | |
| 276 | P | C | 0.0000 | |
| 277 | V | C | 0.0000 | |
| 278 | E | C | 0.0000 | |
| 279 | F | C | 0.0000 | |
| 280 | K | C | -1.2188 | |
| 281 | L | C | 0.0000 | |
| 282 | Q | C | -1.4832 | |
| 20 | P | D | -0.9556 | |
| 21 | M | D | 0.0000 | |
| 22 | R | D | -0.8944 | |
| 23 | I | D | 0.0000 | |
| 24 | C | D | 0.0000 | |
| 25 | S | D | 0.0000 | |
| 26 | F | D | 0.0000 | |
| 27 | N | D | 0.0000 | |
| 28 | V | D | 0.0000 | |
| 29 | R | D | -1.3013 | |
| 30 | S | D | -1.0581 | |
| 31 | F | D | 0.0000 | |
| 32 | G | D | -1.9248 | |
| 33 | E | D | -2.9599 | |
| 34 | S | D | -2.0391 | |
| 35 | K | D | -2.5115 | |
| 36 | Q | D | -2.6613 | |
| 37 | E | D | -3.4890 | |
| 38 | D | D | -3.4090 | |
| 39 | K | D | -3.3547 | |
| 40 | N | D | -2.8219 | |
| 41 | A | D | 0.0000 | |
| 42 | M | D | 0.0000 | |
| 43 | D | D | -1.6866 | |
| 44 | V | D | 0.0000 | |
| 45 | I | D | 0.0000 | |
| 46 | V | D | 0.0000 | |
| 47 | K | D | -1.3197 | |
| 48 | V | D | 0.0000 | |
| 49 | I | D | 0.0000 | |
| 50 | K | D | -2.0702 | |
| 51 | R | D | -1.4284 | |
| 52 | C | D | 0.0000 | |
| 53 | D | D | -1.1494 | |
| 54 | I | D | 0.0000 | |
| 55 | I | D | 0.0000 | |
| 56 | L | D | 0.0000 | |
| 57 | V | D | 0.0000 | |
| 58 | M | D | 0.0000 | |
| 59 | E | D | -0.8256 | |
| 60 | I | D | 0.0000 | |
| 61 | K | D | -1.6586 | |
| 62 | D | D | -2.1055 | |
| 63 | S | D | -1.8593 | |
| 64 | N | D | -2.3406 | |
| 65 | N | D | -2.3296 | |
| 66 | R | D | 0.0000 | |
| 67 | I | D | 0.0000 | |
| 68 | C | D | 0.2102 | |
| 69 | P | D | -0.1641 | |
| 70 | I | D | 0.0000 | |
| 71 | L | D | 0.2959 | |
| 72 | M | D | 0.2087 | |
| 73 | E | D | -1.2696 | |
| 74 | K | D | 0.0000 | |
| 75 | L | D | -1.1145 | |
| 76 | N | D | -2.2611 | |
| 77 | R | D | -2.9008 | |
| 78 | N | D | -3.0727 | |
| 79 | S | D | -2.7106 | |
| 80 | R | D | -3.0828 | |
| 81 | R | D | -3.3717 | |
| 82 | G | D | -2.3943 | |
| 83 | I | D | -2.2722 | |
| 84 | T | D | -1.4985 | |
| 85 | Y | D | 0.0000 | |
| 86 | N | D | -0.6653 | |
| 87 | Y | D | 0.2086 | |
| 88 | V | D | 0.5961 | |
| 89 | I | D | 0.5217 | |
| 90 | S | D | 0.0000 | |
| 91 | S | D | -0.7068 | |
| 92 | R | D | -1.2698 | |
| 93 | L | D | 0.0000 | |
| 94 | G | D | -1.6971 | |
| 95 | R | D | -2.6595 | |
| 96 | N | D | -2.0446 | |
| 97 | T | D | -0.8846 | |
| 98 | Y | D | -0.1375 | |
| 99 | K | D | -1.4511 | |
| 100 | E | D | 0.0000 | |
| 101 | Q | D | 0.0000 | |
| 102 | Y | D | 0.0000 | |
| 103 | A | D | 0.0000 | |
| 104 | F | D | 0.0000 | |
| 105 | L | D | 0.0000 | |
| 106 | Y | D | 0.0000 | |
| 107 | K | D | -1.7800 | |
| 108 | E | D | -2.2043 | |
| 109 | K | D | -2.6146 | |
| 110 | L | D | -1.5905 | |
| 111 | V | D | 0.0000 | |
| 112 | S | D | -0.8676 | |
| 113 | V | D | -0.0879 | |
| 114 | K | D | -0.6992 | |
| 115 | R | D | -0.5281 | |
| 116 | S | D | -0.0673 | |
| 117 | Y | D | 0.0000 | |
| 118 | H | D | 0.0000 | |
| 119 | Y | D | 0.0000 | |
| 120 | H | D | -1.2618 | |
| 121 | D | D | -2.3300 | |
| 122 | Y | D | -1.5886 | |
| 123 | Q | D | -2.5696 | |
| 124 | D | D | -3.4717 | |
| 125 | G | D | -3.1438 | |
| 126 | D | D | -3.1063 | |
| 127 | A | D | -1.9219 | |
| 128 | D | D | -2.5940 | |
| 129 | V | D | -1.5545 | |
| 130 | F | D | 0.0000 | |
| 131 | S | D | -1.2896 | |
| 132 | R | D | -1.1195 | |
| 133 | E | D | -0.9052 | |
| 134 | P | D | 0.0000 | |
| 135 | F | D | 0.0000 | |
| 136 | V | D | 0.0000 | |
| 137 | V | D | 0.0000 | |
| 138 | W | D | -0.1951 | |
| 139 | F | D | 0.0000 | |
| 140 | Q | D | -1.3043 | |
| 141 | S | D | 0.0000 | |
| 142 | P | D | -1.5624 | |
| 143 | H | D | -1.6337 | |
| 144 | T | D | 0.0000 | |
| 145 | A | D | -1.2523 | |
| 146 | V | D | 0.0000 | |
| 147 | K | D | -2.3035 | |
| 148 | D | D | -1.7412 | |
| 149 | F | D | 0.0000 | |
| 150 | V | D | 0.0000 | |
| 151 | I | D | 0.0000 | |
| 152 | I | D | 0.0000 | |
| 153 | P | D | 0.0000 | |
| 154 | L | D | 0.0000 | |
| 155 | H | D | 0.0000 | |
| 156 | T | D | 0.0000 | |
| 157 | T | D | -0.5348 | |
| 158 | P | D | -0.7742 | |
| 159 | E | D | -1.8886 | |
| 160 | T | D | -1.1825 | |
| 161 | S | D | 0.0000 | |
| 162 | V | D | -1.0291 | |
| 163 | K | D | -2.0608 | |
| 164 | E | D | 0.0000 | |
| 165 | I | D | 0.0000 | |
| 166 | D | D | -1.5413 | |
| 167 | E | D | -1.0835 | |
| 168 | L | D | 0.0000 | |
| 169 | V | D | -0.6412 | |
| 170 | E | D | -1.2360 | |
| 171 | V | D | 0.0000 | |
| 172 | Y | D | -0.7367 | |
| 173 | T | D | -0.9899 | |
| 174 | D | D | -1.1474 | |
| 175 | V | D | 0.0000 | |
| 176 | K | D | -2.2018 | |
| 177 | H | D | -2.0095 | |
| 178 | R | D | 0.0000 | |
| 179 | W | D | 0.0000 | |
| 180 | K | D | -2.6550 | |
| 181 | A | D | 0.0000 | |
| 182 | E | D | -2.8887 | |
| 183 | N | D | 0.0000 | |
| 184 | F | D | 0.0000 | |
| 185 | I | D | 0.0000 | |
| 186 | F | D | 0.0000 | |
| 187 | M | D | 0.0000 | |
| 188 | G | D | 0.0000 | |
| 189 | D | D | 0.0000 | |
| 190 | F | D | 0.0000 | |
| 191 | N | D | 0.0000 | |
| 192 | A | D | 0.0000 | |
| 193 | G | D | -0.3920 | |
| 194 | C | D | 0.2320 | |
| 195 | S | D | -0.0709 | |
| 196 | Y | D | 0.0625 | |
| 197 | V | D | 0.0000 | |
| 198 | P | D | -1.1093 | |
| 199 | K | D | -2.7736 | |
| 200 | K | D | -3.1357 | |
| 201 | A | D | -2.1527 | |
| 202 | W | D | 0.0000 | |
| 203 | K | D | -3.2300 | |
| 204 | N | D | -2.8532 | |
| 205 | I | D | 0.0000 | |
| 206 | R | D | -2.1401 | |
| 207 | L | D | 0.0000 | |
| 208 | R | D | -1.6306 | |
| 209 | T | D | -1.8234 | |
| 210 | D | D | -1.4928 | |
| 211 | P | D | -1.4837 | |
| 212 | R | D | -2.2081 | |
| 213 | F | D | 0.0000 | |
| 214 | V | D | -0.0962 | |
| 215 | W | D | 0.0725 | |
| 216 | L | D | 0.0415 | |
| 217 | I | D | 0.0000 | |
| 218 | G | D | -1.0264 | |
| 219 | D | D | -1.6276 | |
| 220 | Q | D | -2.1560 | |
| 221 | E | D | -1.8290 | |
| 222 | D | D | -1.7818 | |
| 223 | T | D | 0.0000 | |
| 224 | T | D | 0.0000 | |
| 225 | V | D | 0.0000 | |
| 226 | K | D | -2.2218 | |
| 227 | K | D | -2.5346 | |
| 228 | S | D | -1.5692 | |
| 229 | T | D | -1.4603 | |
| 230 | N | D | -2.1013 | |
| 231 | C | D | 0.0000 | |
| 232 | A | D | 0.0000 | |
| 233 | Y | D | -0.0771 | |
| 234 | D | D | 0.0000 | |
| 235 | R | D | 0.0000 | |
| 236 | I | D | 0.0000 | |
| 237 | V | D | 0.0000 | |
| 238 | L | D | 0.0000 | |
| 239 | R | D | -1.3295 | |
| 240 | G | D | -1.9988 | |
| 241 | Q | D | -2.4998 | |
| 242 | E | D | -2.7020 | |
| 243 | I | D | 0.0000 | |
| 244 | V | D | -0.6027 | |
| 245 | S | D | -0.9254 | |
| 246 | S | D | -0.8637 | |
| 247 | V | D | -0.6316 | |
| 248 | V | D | -0.8135 | |
| 249 | P | D | -1.2019 | |
| 250 | K | D | -1.9205 | |
| 251 | S | D | 0.0000 | |
| 252 | N | D | -1.0063 | |
| 253 | S | D | -0.6520 | |
| 254 | V | D | -0.0333 | |
| 255 | F | D | -0.1184 | |
| 256 | D | D | -0.9003 | |
| 257 | F | D | 0.0000 | |
| 258 | Q | D | -1.9271 | |
| 259 | K | D | -2.4460 | |
| 260 | A | D | -1.2601 | |
| 261 | Y | D | -1.1535 | |
| 262 | K | D | -2.3531 | |
| 263 | L | D | -1.6972 | |
| 264 | T | D | -1.6113 | |
| 265 | E | D | -2.5802 | |
| 266 | E | D | -2.8259 | |
| 267 | E | D | -2.6140 | |
| 268 | A | D | 0.0000 | |
| 269 | L | D | -1.8516 | |
| 270 | D | D | -2.8240 | |
| 271 | V | D | 0.0000 | |
| 272 | S | D | 0.0000 | |
| 273 | D | D | -0.9051 | |
| 274 | H | D | 0.0000 | |
| 275 | F | D | 0.0000 | |
| 276 | P | D | 0.0000 | |
| 277 | V | D | 0.0000 | |
| 278 | E | D | 0.0000 | |
| 279 | F | D | 0.0000 | |
| 280 | K | D | -1.1494 | |
| 281 | L | D | 0.0000 | |
| 282 | Q | D | -1.4547 |
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 | -1.0817 | 1.1698 | View | CSV | PDB |
| 4.5 | -1.1368 | 1.1379 | View | CSV | PDB |
| 5.0 | -1.2028 | 1.098 | View | CSV | PDB |
| 5.5 | -1.2655 | 1.0567 | View | CSV | PDB |
| 6.0 | -1.3087 | 1.0204 | View | CSV | PDB |
| 6.5 | -1.3202 | 0.9998 | View | CSV | PDB |
| 7.0 | -1.3003 | 1.0243 | View | CSV | PDB |
| 7.5 | -1.2594 | 1.0537 | View | CSV | PDB |
| 8.0 | -1.2068 | 1.093 | View | CSV | PDB |
| 8.5 | -1.1463 | 1.1535 | View | CSV | PDB |
| 9.0 | -1.0783 | 1.3715 | 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