| Chain sequence(s) |
A: MGDGTEFVVRSDREDKKLAEDRISDEQVVKNELVRSDEVRDDNEDEVFEEAIGSENDEQEEEEDPKRELFESDDLPLVETLKSSMVEHEVEDFEEAVGDLDETSSNEGGVKDFTAVGESHGAGEAEFDVLATKMNGDKGEGGGGGSYDKVESSLDVVDTTENATSTNTNGSNLAAEHVGIENGKTHSFLGNGIASPKNKEVVAEVIPKDDGIEEPWNDGIEVDNWEERVDGIQTEQEVEEGEGTTENQFEKRTEEEVVEGEGTSKNLFEKQTEQDVVEGEGTSKDLFENGSVCMDSESEAERNGETGAAYTSNIVTNASGDNEVSSAVTSSPLEESSSGEKGETEGDSTCLKPEQHLASSPHSYPESTEVHSNSGSPGVTSREHKPVQSANGGHDVQSPQPNKELEKQQSSRVHVDPEITENSHVETEPEVVSSVSPTESRSNPAALPPARPAGLGRASPLLEPASRAPQQSRVNGNGSHNQFQQAEDSTTTEADEHDETREKLQLIRVKFLRLAHRLGQTPHNVVVAQVLYRLGLAEQLRGRNGSRVGAFSFDRASAMAEQLEAAGQDPLDFSCTIMVLGKSGVGKSATINSIFDEVKFCTDAFQMGTKRVQDVEGLVQGIKVRVIDTPGLLPSWSDQAKNEKILNSVKAFIKKNPPDIVLYLDRLDMQSRDSGDMPLLRTISDVFGPSIWFNAIVGLTHAASVPPDGPNGTASSYDMFVTQRSHVIQQAIRQAAGDMRLMNPVSLVENHSACRTNRAGQRVLPNGQVWKPHLLLLSFASKILAEANALLKLQDNIPGRPFAARSKAPPLPFLLSSLLQSRPQPKLPEQQYGDEEDEDDLEESSDSDEESEYDQLPPFKSLTKAQMATLSKSQKKQYLDEMEYREKLLMKKQMKEERKRRKMFKKFAAEIKDLPDGYSENVEEESGGPASVPVPMPDLSLPASFDSDNPTHRYRYLDSSNQWLVRPVLETHGWDHDIGYEGVNAERLFVVKEKIPISVSGQVTKDKKDANVQLEMASSVKHGEGKSTSLGFDMQTVGKELAYTLRSETRFNNFRRNKAAAGLSVTHLGDSVSAGLKVEDKFIASKWFRIVMSGGAMTSRGDFAYGGTLEAQLRDKDYPLGRFLTTLGLSVMDWHGDLAIGGNIQSQVPIGRSSNLIARANLNNRGAGQVSVRVNSSEQLQLAMVAIVPLFKKLLSYYYPQTQYGQ
input PDB |
| Selected Chain(s) | A |
| 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:27)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a5f6359e4f5c630/tmp/folded.pdb (00:16:27)
[INFO] Main: Simulation completed successfully. (00:22:19)
|
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 | 0.3388 | |
| 2 | G | A | -0.8120 | |
| 3 | D | A | -2.2710 | |
| 4 | G | A | -1.9035 | |
| 5 | T | A | -1.3484 | |
| 6 | E | A | -0.8909 | |
| 7 | F | A | 2.2809 | |
| 8 | V | A | 2.7327 | |
| 9 | V | A | 1.9041 | |
| 10 | R | A | -1.3918 | |
| 11 | S | A | -2.2630 | |
| 12 | D | A | -3.5940 | |
| 13 | R | A | -4.1806 | |
| 14 | E | A | -4.4341 | |
| 15 | D | A | -4.2853 | |
| 16 | K | A | -3.4628 | |
| 17 | K | A | -2.1311 | |
| 18 | L | A | 0.0033 | |
| 19 | A | A | -0.9525 | |
| 20 | E | A | -2.7003 | |
| 21 | D | A | -3.1581 | |
| 22 | R | A | -2.1744 | |
| 23 | I | A | 0.0665 | |
| 24 | S | A | -0.9837 | |
| 25 | D | A | -2.6743 | |
| 26 | E | A | -2.6404 | |
| 27 | Q | A | -1.2688 | |
| 28 | V | A | 1.3053 | |
| 29 | V | A | 0.7804 | |
| 30 | K | A | -1.7293 | |
| 31 | N | A | -2.3543 | |
| 32 | E | A | -1.4221 | |
| 33 | L | A | 0.8002 | |
| 34 | V | A | 1.0902 | |
| 35 | R | A | -1.0464 | |
| 36 | S | A | -2.1155 | |
| 37 | D | A | -2.7898 | |
| 38 | E | A | -2.3687 | |
| 39 | V | A | -0.8789 | |
| 40 | R | A | -2.8091 | |
| 41 | D | A | -3.6775 | |
| 42 | D | A | -4.1474 | |
| 43 | N | A | -3.9751 | |
| 44 | E | A | -4.1039 | |
| 45 | D | A | -3.2143 | |
| 46 | E | A | -1.9732 | |
| 47 | V | A | 0.9567 | |
| 48 | F | A | 0.9707 | |
| 49 | E | A | -1.3492 | |
| 50 | E | A | -1.8363 | |
| 51 | A | A | -0.1958 | |
| 52 | I | A | 1.3095 | |
| 53 | G | A | -0.1732 | |
| 54 | S | A | -1.1735 | |
| 55 | E | A | -3.3493 | |
| 56 | N | A | -3.6821 | |
| 57 | D | A | -3.9661 | |
| 58 | E | A | -4.2314 | |
| 59 | Q | A | -3.7335 | |
| 60 | E | A | -4.3825 | |
| 61 | E | A | -4.2693 | |
| 62 | E | A | -4.5862 | |
| 63 | E | A | -4.3598 | |
| 64 | D | A | -3.5092 | |
| 65 | P | A | -2.6339 | |
| 66 | K | A | -3.4320 | |
| 67 | R | A | -3.3314 | |
| 68 | E | A | -1.8410 | |
| 69 | L | A | 0.6249 | |
| 70 | F | A | 1.2354 | |
| 71 | E | A | -0.8694 | |
| 72 | S | A | -1.9058 | |
| 73 | D | A | -2.8050 | |
| 74 | D | A | -2.0026 | |
| 75 | L | A | 0.5432 | |
| 76 | P | A | 1.2916 | |
| 77 | L | A | 2.2927 | |
| 78 | V | A | 1.6237 | |
| 79 | E | A | -0.3559 | |
| 80 | T | A | -0.2502 | |
| 81 | L | A | 0.2591 | |
| 82 | K | A | -1.1237 | |
| 83 | S | A | -0.4220 | |
| 84 | S | A | 0.1589 | |
| 85 | M | A | 1.3026 | |
| 86 | V | A | 0.7868 | |
| 87 | E | A | -1.3938 | |
| 88 | H | A | -2.2577 | |
| 89 | E | A | -2.2930 | |
| 90 | V | A | -0.9000 | |
| 91 | E | A | -1.8900 | |
| 92 | D | A | -2.1478 | |
| 93 | F | A | -0.4338 | |
| 94 | E | A | -1.9749 | |
| 95 | E | A | -2.0371 | |
| 96 | A | A | -0.6900 | |
| 97 | V | A | 0.6178 | |
| 98 | G | A | -0.5072 | |
| 99 | D | A | -1.4088 | |
| 100 | L | A | -0.5076 | |
| 101 | D | A | -2.3814 | |
| 102 | E | A | -2.6393 | |
| 103 | T | A | -1.3802 | |
| 104 | S | A | -1.0042 | |
| 105 | S | A | -1.3223 | |
| 106 | N | A | -2.4514 | |
| 107 | E | A | -2.8479 | |
| 108 | G | A | -1.5158 | |
| 109 | G | A | -0.5350 | |
| 110 | V | A | 0.2882 | |
| 111 | K | A | -1.4366 | |
| 112 | D | A | -1.3137 | |
| 113 | F | A | 0.6489 | |
| 114 | T | A | 0.8351 | |
| 115 | A | A | 0.9544 | |
| 116 | V | A | 1.0839 | |
| 117 | G | A | -0.5558 | |
| 118 | E | A | -1.9728 | |
| 119 | S | A | -1.6866 | |
| 120 | H | A | -1.7195 | |
| 121 | G | A | -1.0728 | |
| 122 | A | A | -1.0830 | |
| 123 | G | A | -1.5143 | |
| 124 | E | A | -2.3817 | |
| 125 | A | A | -1.5782 | |
| 126 | E | A | -1.6292 | |
| 127 | F | A | 0.6193 | |
| 128 | D | A | 0.1030 | |
| 129 | V | A | 2.0987 | |
| 130 | L | A | 2.2477 | |
| 131 | A | A | 0.8402 | |
| 132 | T | A | -0.1836 | |
| 133 | K | A | -1.4686 | |
| 134 | M | A | -0.7303 | |
| 135 | N | A | -1.7495 | |
| 136 | G | A | -2.1248 | |
| 137 | D | A | -3.1524 | |
| 138 | K | A | -3.3594 | |
| 139 | G | A | -2.6709 | |
| 140 | E | A | -2.8127 | |
| 141 | G | A | -2.1111 | |
| 142 | G | A | -1.5567 | |
| 143 | G | A | -1.3757 | |
| 144 | G | A | -0.9665 | |
| 145 | G | A | -0.6573 | |
| 146 | S | A | -0.3348 | |
| 147 | Y | A | -0.1638 | |
| 148 | D | A | -1.5920 | |
| 149 | K | A | -1.7566 | |
| 150 | V | A | -0.3385 | |
| 151 | E | A | -1.5128 | |
| 152 | S | A | -0.5148 | |
| 153 | S | A | -0.3715 | |
| 154 | L | A | 0.9316 | |
| 155 | D | A | 0.1433 | |
| 156 | V | A | 1.7491 | |
| 157 | V | A | 1.3818 | |
| 158 | D | A | -0.6050 | |
| 159 | T | A | -1.0038 | |
| 160 | T | A | -1.6064 | |
| 161 | E | A | -2.4850 | |
| 162 | N | A | -2.1677 | |
| 163 | A | A | -1.1366 | |
| 164 | T | A | -0.4396 | |
| 165 | S | A | -0.5126 | |
| 166 | T | A | -0.8270 | |
| 167 | N | A | -1.6698 | |
| 168 | T | A | -1.5137 | |
| 169 | N | A | -1.8636 | |
| 170 | G | A | -1.3507 | |
| 171 | S | A | -1.0393 | |
| 172 | N | A | -0.6175 | |
| 173 | L | A | 0.7874 | |
| 174 | A | A | 0.0326 | |
| 175 | A | A | -0.7283 | |
| 176 | E | A | -1.8933 | |
| 177 | H | A | -1.1062 | |
| 178 | V | A | 1.0682 | |
| 179 | G | A | 0.8497 | |
| 180 | I | A | 0.9846 | |
| 181 | E | A | -1.6211 | |
| 182 | N | A | -2.3131 | |
| 183 | G | A | -2.2731 | |
| 184 | K | A | -2.4341 | |
| 185 | T | A | -1.5258 | |
| 186 | H | A | -1.0899 | |
| 187 | S | A | 0.4746 | |
| 188 | F | A | 2.3247 | |
| 189 | L | A | 1.9191 | |
| 190 | G | A | 0.1605 | |
| 191 | N | A | -0.9587 | |
| 192 | G | A | -0.1309 | |
| 193 | I | A | 1.4634 | |
| 194 | A | A | 0.8114 | |
| 195 | S | A | -0.3170 | |
| 196 | P | A | -1.5487 | |
| 197 | K | A | -2.8728 | |
| 198 | N | A | -3.3030 | |
| 199 | K | A | -3.1274 | |
| 200 | E | A | -1.7616 | |
| 201 | V | A | 0.9546 | |
| 202 | V | A | 1.8456 | |
| 203 | A | A | 0.9443 | |
| 204 | E | A | 0.1217 | |
| 205 | V | A | 1.8236 | |
| 206 | I | A | 1.7817 | |
| 207 | P | A | -0.4719 | |
| 208 | K | A | -2.5915 | |
| 209 | D | A | -3.2513 | |
| 210 | D | A | -2.8901 | |
| 211 | G | A | -1.4941 | |
| 212 | I | A | -0.1578 | |
| 213 | E | A | -1.7421 | |
| 214 | E | A | -2.0694 | |
| 215 | P | A | -0.9777 | |
| 216 | W | A | -0.5679 | |
| 217 | N | A | -1.5685 | |
| 218 | D | A | -1.9671 | |
| 219 | G | A | -1.1070 | |
| 220 | I | A | 0.7178 | |
| 221 | E | A | -0.4658 | |
| 222 | V | A | 0.2407 | |
| 223 | D | A | -1.4256 | |
| 224 | N | A | -1.5148 | |
| 225 | W | A | -0.8404 | |
| 226 | E | A | -2.7972 | |
| 227 | E | A | -2.9895 | |
| 228 | R | A | -2.5420 | |
| 229 | V | A | -0.5646 | |
| 230 | D | A | -1.1516 | |
| 231 | G | A | -0.3069 | |
| 232 | I | A | 0.8329 | |
| 233 | Q | A | -0.7748 | |
| 234 | T | A | -1.4435 | |
| 235 | E | A | -3.1038 | |
| 236 | Q | A | -2.7561 | |
| 237 | E | A | -2.3994 | |
| 238 | V | A | -0.7209 | |
| 239 | E | A | -2.1829 | |
| 240 | E | A | -2.8996 | |
| 241 | G | A | -2.6410 | |
| 242 | E | A | -2.6881 | |
| 243 | G | A | -1.6332 | |
| 244 | T | A | -1.1166 | |
| 245 | T | A | -1.4674 | |
| 246 | E | A | -2.7219 | |
| 247 | N | A | -2.4156 | |
| 248 | Q | A | -1.7468 | |
| 249 | F | A | -0.2567 | |
| 250 | E | A | -2.1376 | |
| 251 | K | A | -3.1469 | |
| 252 | R | A | -3.5639 | |
| 253 | T | A | -2.7829 | |
| 254 | E | A | -3.6009 | |
| 255 | E | A | -3.3915 | |
| 256 | E | A | -2.0269 | |
| 257 | V | A | 1.1011 | |
| 258 | V | A | 1.3519 | |
| 259 | E | A | -1.2162 | |
| 260 | G | A | -2.0020 | |
| 261 | E | A | -2.6880 | |
| 262 | G | A | -1.6830 | |
| 263 | T | A | -1.1549 | |
| 264 | S | A | -1.4612 | |
| 265 | K | A | -2.1608 | |
| 266 | N | A | -1.2058 | |
| 267 | L | A | 0.8771 | |
| 268 | F | A | 0.8265 | |
| 269 | E | A | -1.6362 | |
| 270 | K | A | -2.7736 | |
| 271 | Q | A | -2.8707 | |
| 272 | T | A | -2.9553 | |
| 273 | E | A | -3.3915 | |
| 274 | Q | A | -2.8515 | |
| 275 | D | A | -1.3755 | |
| 276 | V | A | 1.1624 | |
| 277 | V | A | 1.3412 | |
| 278 | E | A | -1.3010 | |
| 279 | G | A | -2.0822 | |
| 280 | E | A | -2.6982 | |
| 281 | G | A | -1.6607 | |
| 282 | T | A | -1.1558 | |
| 283 | S | A | -1.6616 | |
| 284 | K | A | -2.5195 | |
| 285 | D | A | -1.7041 | |
| 286 | L | A | 0.9404 | |
| 287 | F | A | 1.1377 | |
| 288 | E | A | -1.1233 | |
| 289 | N | A | -2.0067 | |
| 290 | G | A | -1.1773 | |
| 291 | S | A | 0.3039 | |
| 292 | V | A | 2.1465 | |
| 293 | C | A | 1.7388 | |
| 294 | M | A | 0.8241 | |
| 295 | D | A | -1.5891 | |
| 296 | S | A | -1.8240 | |
| 297 | E | A | -2.7784 | |
| 298 | S | A | -2.0715 | |
| 299 | E | A | -2.6906 | |
| 300 | A | A | -2.2654 | |
| 301 | E | A | -3.3153 | |
| 302 | R | A | -3.7090 | |
| 303 | N | A | -3.3242 | |
| 304 | G | A | -2.6663 | |
| 305 | E | A | -2.7230 | |
| 306 | T | A | -1.2667 | |
| 307 | G | A | -0.9286 | |
| 308 | A | A | 0.1583 | |
| 309 | A | A | 0.6876 | |
| 310 | Y | A | 1.2880 | |
| 311 | T | A | 0.2240 | |
| 312 | S | A | -0.1890 | |
| 313 | N | A | 0.0806 | |
| 314 | I | A | 2.1242 | |
| 315 | V | A | 2.2020 | |
| 316 | T | A | 0.5992 | |
| 317 | N | A | -1.0501 | |
| 318 | A | A | -1.0720 | |
| 319 | S | A | -1.2109 | |
| 320 | G | A | -1.9576 | |
| 321 | D | A | -3.0724 | |
| 322 | N | A | -2.7668 | |
| 323 | E | A | -1.9871 | |
| 324 | V | A | 0.3628 | |
| 325 | S | A | 0.1556 | |
| 326 | S | A | 0.4357 | |
| 327 | A | A | 0.7593 | |
| 328 | V | A | 1.6828 | |
| 329 | T | A | 0.6446 | |
| 330 | S | A | -0.0616 | |
| 331 | S | A | -0.1579 | |
| 332 | P | A | -0.0737 | |
| 333 | L | A | 0.0262 | |
| 334 | E | A | -1.9247 | |
| 335 | E | A | -2.5256 | |
| 336 | S | A | -1.7225 | |
| 337 | S | A | -0.8840 | |
| 338 | S | A | -0.9557 | |
| 339 | G | A | -1.9435 | |
| 340 | E | A | -3.1513 | |
| 341 | K | A | -3.4186 | |
| 342 | G | A | -2.6341 | |
| 343 | E | A | -2.8970 | |
| 344 | T | A | -2.1674 | |
| 345 | E | A | -2.8907 | |
| 346 | G | A | -2.6024 | |
| 347 | D | A | -2.5335 | |
| 348 | S | A | -1.2219 | |
| 349 | T | A | 0.0215 | |
| 350 | C | A | 1.0545 | |
| 351 | L | A | 0.9768 | |
| 352 | K | A | -1.1690 | |
| 353 | P | A | -1.8500 | |
| 354 | E | A | -3.0698 | |
| 355 | Q | A | -2.3418 | |
| 356 | H | A | -1.1108 | |
| 357 | L | A | 0.7701 | |
| 358 | A | A | 0.4421 | |
| 359 | S | A | -0.0421 | |
| 360 | S | A | -0.6884 | |
| 361 | P | A | -0.7671 | |
| 362 | H | A | -0.9023 | |
| 363 | S | A | -0.2760 | |
| 364 | Y | A | 0.3914 | |
| 365 | P | A | -0.7238 | |
| 366 | E | A | -1.8111 | |
| 367 | S | A | -1.5460 | |
| 368 | T | A | -1.2340 | |
| 369 | E | A | -1.2264 | |
| 370 | V | A | 0.1613 | |
| 371 | H | A | -0.9240 | |
| 372 | S | A | -1.2973 | |
| 373 | N | A | -1.8400 | |
| 374 | S | A | -1.2659 | |
| 375 | G | A | -1.0975 | |
| 376 | S | A | -0.8181 | |
| 377 | P | A | -0.3438 | |
| 378 | G | A | 0.2347 | |
| 379 | V | A | 1.4191 | |
| 380 | T | A | 0.2455 | |
| 381 | S | A | -1.2169 | |
| 382 | R | A | -3.2254 | |
| 383 | E | A | -3.7570 | |
| 384 | H | A | -3.0491 | |
| 385 | K | A | -2.3441 | |
| 386 | P | A | -0.8499 | |
| 387 | V | A | 0.5180 | |
| 388 | Q | A | -0.6245 | |
| 389 | S | A | -0.7879 | |
| 390 | A | A | -0.8783 | |
| 391 | N | A | -1.7923 | |
| 392 | G | A | -1.6425 | |
| 393 | G | A | -1.9819 | |
| 394 | H | A | -1.9817 | |
| 395 | D | A | -1.8816 | |
| 396 | V | A | 0.0002 | |
| 397 | Q | A | -0.7740 | |
| 398 | S | A | -0.8016 | |
| 399 | P | A | -1.2554 | |
| 400 | Q | A | -1.7773 | |
| 401 | P | A | -1.9240 | |
| 402 | N | A | -2.9624 | |
| 403 | K | A | -3.0313 | |
| 404 | E | A | -2.6630 | |
| 405 | L | A | -0.9748 | |
| 406 | E | A | -2.5724 | |
| 407 | K | A | -3.2077 | |
| 408 | Q | A | -3.2193 | |
| 409 | Q | A | -2.4241 | |
| 410 | S | A | -1.4252 | |
| 411 | S | A | -1.1451 | |
| 412 | R | A | -1.2534 | |
| 413 | V | A | 0.3922 | |
| 414 | H | A | -0.1644 | |
| 415 | V | A | 0.6871 | |
| 416 | D | A | -1.3580 | |
| 417 | P | A | -1.2287 | |
| 418 | E | A | -1.3915 | |
| 419 | I | A | 0.4348 | |
| 420 | T | A | -0.6231 | |
| 421 | E | A | -2.0461 | |
| 422 | N | A | -2.4803 | |
| 423 | S | A | -1.3222 | |
| 424 | H | A | -0.9195 | |
| 425 | V | A | 0.3411 | |
| 426 | E | A | -1.6070 | |
| 427 | T | A | -1.4530 | |
| 428 | E | A | -2.8256 | |
| 429 | P | A | -2.0805 | |
| 430 | E | A | -1.1666 | |
| 431 | V | A | 1.6004 | |
| 432 | V | A | 2.3240 | |
| 433 | S | A | 1.1919 | |
| 434 | S | A | 1.0384 | |
| 435 | V | A | 1.6670 | |
| 436 | S | A | 0.2365 | |
| 437 | P | A | -0.4521 | |
| 438 | T | A | -1.2746 | |
| 439 | E | A | -2.4591 | |
| 440 | S | A | -2.0989 | |
| 441 | R | A | -2.7624 | |
| 442 | S | A | -1.8185 | |
| 443 | N | A | -1.8624 | |
| 444 | P | A | -0.8251 | |
| 445 | A | A | -0.0457 | |
| 446 | A | A | 0.5461 | |
| 447 | L | A | 1.3751 | |
| 448 | P | A | 0.1647 | |
| 449 | P | A | -0.4455 | |
| 450 | A | A | -0.8956 | |
| 451 | R | A | -2.0400 | |
| 452 | P | A | -1.5024 | |
| 453 | A | A | -0.5283 | |
| 454 | G | A | -0.6799 | |
| 455 | L | A | -0.2579 | |
| 456 | G | A | -1.3559 | |
| 457 | R | A | -2.0016 | |
| 458 | A | A | -0.9018 | |
| 459 | S | A | -0.4032 | |
| 460 | P | A | 0.7354 | |
| 461 | L | A | 1.7809 | |
| 462 | L | A | 1.3224 | |
| 463 | E | A | -0.8850 | |
| 464 | P | A | -0.8638 | |
| 465 | A | A | -0.9092 | |
| 466 | S | A | -1.1141 | |
| 467 | R | A | -1.9611 | |
| 468 | A | A | -1.2540 | |
| 469 | P | A | -1.4565 | |
| 470 | Q | A | -1.9253 | |
| 471 | Q | A | -2.3038 | |
| 472 | S | A | -1.5336 | |
| 473 | R | A | -1.4643 | |
| 474 | V | A | 0.0014 | |
| 475 | N | A | -1.4072 | |
| 476 | G | A | -1.5276 | |
| 477 | N | A | -2.0843 | |
| 478 | G | A | -1.7388 | |
| 479 | S | A | -1.4864 | |
| 480 | H | A | -2.0537 | |
| 481 | N | A | -2.0283 | |
| 482 | Q | A | -1.4781 | |
| 483 | F | A | 0.2264 | |
| 484 | Q | A | -1.0598 | |
| 485 | Q | A | -1.7906 | |
| 486 | A | A | -2.0294 | |
| 487 | E | A | -3.0149 | |
| 488 | D | A | -2.7813 | |
| 489 | S | A | -1.7533 | |
| 490 | T | A | -1.5005 | |
| 491 | T | A | -1.3597 | |
| 492 | T | A | -1.7039 | |
| 493 | E | A | -2.7497 | |
| 494 | A | A | -2.8195 | |
| 495 | D | A | -4.2875 | |
| 496 | E | A | -4.5092 | |
| 497 | H | A | -4.1701 | |
| 498 | D | A | -4.9589 | |
| 499 | E | A | -5.0501 | |
| 500 | T | A | -3.6237 | |
| 501 | R | A | -3.6570 | |
| 502 | E | A | -3.5938 | |
| 503 | K | A | -2.5768 | |
| 504 | L | A | 0.0000 | |
| 505 | Q | A | -1.2205 | |
| 506 | L | A | 0.1347 | |
| 507 | I | A | -0.2427 | |
| 508 | R | A | 0.0000 | |
| 509 | V | A | 0.0000 | |
| 510 | K | A | -0.2543 | |
| 511 | F | A | 0.0000 | |
| 512 | L | A | 0.0000 | |
| 513 | R | A | 0.0000 | |
| 514 | L | A | 0.0000 | |
| 515 | A | A | 0.0000 | |
| 516 | H | A | -1.6132 | |
| 517 | R | A | -1.1886 | |
| 518 | L | A | 0.0000 | |
| 519 | G | A | -1.0910 | |
| 520 | Q | A | -0.8794 | |
| 521 | T | A | -0.7413 | |
| 522 | P | A | -0.6976 | |
| 523 | H | A | -0.8092 | |
| 524 | N | A | -0.0713 | |
| 525 | V | A | 1.1505 | |
| 526 | V | A | 0.5342 | |
| 527 | V | A | 0.0000 | |
| 528 | A | A | 0.0615 | |
| 529 | Q | A | -0.4597 | |
| 530 | V | A | 0.0000 | |
| 531 | L | A | 0.0000 | |
| 532 | Y | A | 0.9758 | |
| 533 | R | A | -0.1393 | |
| 534 | L | A | 0.0000 | |
| 535 | G | A | 0.5180 | |
| 536 | L | A | 0.8830 | |
| 537 | A | A | 0.0000 | |
| 538 | E | A | -0.7320 | |
| 539 | Q | A | -1.0860 | |
| 540 | L | A | 0.0826 | |
| 541 | R | A | -1.7466 | |
| 542 | G | A | -2.1239 | |
| 543 | R | A | -2.8194 | |
| 544 | N | A | -2.7943 | |
| 545 | G | A | -2.1850 | |
| 546 | S | A | -1.9033 | |
| 547 | R | A | -2.1380 | |
| 548 | V | A | -1.3028 | |
| 549 | G | A | -0.8043 | |
| 550 | A | A | -0.2465 | |
| 551 | F | A | 0.0153 | |
| 552 | S | A | -0.8058 | |
| 553 | F | A | -0.3794 | |
| 554 | D | A | -2.1579 | |
| 555 | R | A | -2.5010 | |
| 556 | A | A | 0.0000 | |
| 557 | S | A | -1.5910 | |
| 558 | A | A | -1.6577 | |
| 559 | M | A | -1.1597 | |
| 560 | A | A | 0.0000 | |
| 561 | E | A | -2.5182 | |
| 562 | Q | A | -1.9477 | |
| 563 | L | A | -1.3646 | |
| 564 | E | A | -1.7613 | |
| 565 | A | A | -1.1344 | |
| 566 | A | A | -1.2353 | |
| 567 | G | A | -1.5050 | |
| 568 | Q | A | -2.1734 | |
| 569 | D | A | -2.6983 | |
| 570 | P | A | -1.7546 | |
| 571 | L | A | -1.6894 | |
| 572 | D | A | -2.2091 | |
| 573 | F | A | 0.0000 | |
| 574 | S | A | -0.8970 | |
| 575 | C | A | 0.0000 | |
| 576 | T | A | 0.0000 | |
| 577 | I | A | 0.0000 | |
| 578 | M | A | 0.0000 | |
| 579 | V | A | 0.0000 | |
| 580 | L | A | 0.0000 | |
| 581 | G | A | 0.0000 | |
| 582 | K | A | 0.0000 | |
| 583 | S | A | -0.4071 | |
| 584 | G | A | -0.6380 | |
| 585 | V | A | 0.0000 | |
| 586 | G | A | -0.7450 | |
| 587 | K | A | 0.0000 | |
| 588 | S | A | -0.1711 | |
| 589 | A | A | -0.4607 | |
| 590 | T | A | 0.0000 | |
| 591 | I | A | 0.0000 | |
| 592 | N | A | -0.8213 | |
| 593 | S | A | 0.0000 | |
| 594 | I | A | 0.0000 | |
| 595 | F | A | -1.2295 | |
| 596 | D | A | -2.3682 | |
| 597 | E | A | -2.0870 | |
| 598 | V | A | 0.1745 | |
| 599 | K | A | -1.0644 | |
| 600 | F | A | -0.1046 | |
| 601 | C | A | 0.4881 | |
| 602 | T | A | -0.4328 | |
| 603 | D | A | -1.4331 | |
| 604 | A | A | -0.2583 | |
| 605 | F | A | 0.8808 | |
| 606 | Q | A | -0.6791 | |
| 607 | M | A | -0.4931 | |
| 608 | G | A | -1.0875 | |
| 609 | T | A | -1.6247 | |
| 610 | K | A | -2.5418 | |
| 611 | R | A | -2.7850 | |
| 612 | V | A | 0.0000 | |
| 613 | Q | A | -1.4533 | |
| 614 | D | A | -1.5878 | |
| 615 | V | A | -1.4914 | |
| 616 | E | A | -1.9899 | |
| 617 | G | A | -0.4611 | |
| 618 | L | A | 0.6372 | |
| 619 | V | A | 0.0000 | |
| 620 | Q | A | -0.5888 | |
| 621 | G | A | -0.4878 | |
| 622 | I | A | 0.0000 | |
| 623 | K | A | -0.9241 | |
| 624 | V | A | 0.0000 | |
| 625 | R | A | -1.1640 | |
| 626 | V | A | 0.0000 | |
| 627 | I | A | 0.0000 | |
| 628 | D | A | 0.0000 | |
| 629 | T | A | 0.0000 | |
| 630 | P | A | 0.0000 | |
| 631 | G | A | 0.0000 | |
| 632 | L | A | 0.0000 | |
| 633 | L | A | -0.1073 | |
| 634 | P | A | -0.1259 | |
| 635 | S | A | 0.1002 | |
| 636 | W | A | 0.7599 | |
| 637 | S | A | -0.0684 | |
| 638 | D | A | -0.7502 | |
| 639 | Q | A | -0.9600 | |
| 640 | A | A | -1.4193 | |
| 641 | K | A | -2.3435 | |
| 642 | N | A | 0.0000 | |
| 643 | E | A | -2.9166 | |
| 644 | K | A | -3.0679 | |
| 645 | I | A | -2.2675 | |
| 646 | L | A | 0.0000 | |
| 647 | N | A | -2.2820 | |
| 648 | S | A | -1.6065 | |
| 649 | V | A | 0.0000 | |
| 650 | K | A | -2.1205 | |
| 651 | A | A | -1.5025 | |
| 652 | F | A | -1.2714 | |
| 653 | I | A | 0.0000 | |
| 654 | K | A | -3.0836 | |
| 655 | K | A | -3.2056 | |
| 656 | N | A | -2.6691 | |
| 657 | P | A | -1.9425 | |
| 658 | P | A | -1.0979 | |
| 659 | D | A | -0.9635 | |
| 660 | I | A | 0.0000 | |
| 661 | V | A | 0.0000 | |
| 662 | L | A | 0.0000 | |
| 663 | Y | A | 0.0000 | |
| 664 | L | A | 0.0000 | |
| 665 | D | A | 0.0000 | |
| 666 | R | A | -0.8284 | |
| 667 | L | A | 0.0000 | |
| 668 | D | A | -0.6295 | |
| 669 | M | A | -0.9633 | |
| 670 | Q | A | -2.1077 | |
| 671 | S | A | -2.2433 | |
| 672 | R | A | -3.1830 | |
| 673 | D | A | -3.1083 | |
| 674 | S | A | -1.7177 | |
| 675 | G | A | -1.3758 | |
| 676 | D | A | -1.0481 | |
| 677 | M | A | 0.0000 | |
| 678 | P | A | -0.3638 | |
| 679 | L | A | 0.0000 | |
| 680 | L | A | 0.0000 | |
| 681 | R | A | -1.6896 | |
| 682 | T | A | 0.0000 | |
| 683 | I | A | 0.0000 | |
| 684 | S | A | 0.0000 | |
| 685 | D | A | -2.1831 | |
| 686 | V | A | 0.0000 | |
| 687 | F | A | -0.8127 | |
| 688 | G | A | -0.7642 | |
| 689 | P | A | -0.4645 | |
| 690 | S | A | 0.4822 | |
| 691 | I | A | 0.2623 | |
| 692 | W | A | 0.0000 | |
| 693 | F | A | 1.3476 | |
| 694 | N | A | 0.1997 | |
| 695 | A | A | 0.0000 | |
| 696 | I | A | 0.0000 | |
| 697 | V | A | 0.0000 | |
| 698 | G | A | 0.0000 | |
| 699 | L | A | 0.0000 | |
| 700 | T | A | 0.0000 | |
| 701 | H | A | -0.4132 | |
| 702 | A | A | 0.0000 | |
| 703 | A | A | -0.2893 | |
| 704 | S | A | 0.5614 | |
| 705 | V | A | 1.3703 | |
| 706 | P | A | 0.1288 | |
| 707 | P | A | -0.9111 | |
| 708 | D | A | -2.1485 | |
| 709 | G | A | -1.7279 | |
| 710 | P | A | -1.4910 | |
| 711 | N | A | -2.0034 | |
| 712 | G | A | -1.8026 | |
| 713 | T | A | -1.4357 | |
| 714 | A | A | -0.9928 | |
| 715 | S | A | -0.8265 | |
| 716 | S | A | -0.5096 | |
| 717 | Y | A | -0.4803 | |
| 718 | D | A | -1.7320 | |
| 719 | M | A | -0.4112 | |
| 720 | F | A | 0.0000 | |
| 721 | V | A | -0.6450 | |
| 722 | T | A | -0.7582 | |
| 723 | Q | A | -1.4054 | |
| 724 | R | A | 0.0000 | |
| 725 | S | A | 0.0000 | |
| 726 | H | A | -1.3412 | |
| 727 | V | A | -1.3306 | |
| 728 | I | A | 0.0000 | |
| 729 | Q | A | -0.6884 | |
| 730 | Q | A | -1.3616 | |
| 731 | A | A | -1.5273 | |
| 732 | I | A | 0.0000 | |
| 733 | R | A | -1.1079 | |
| 734 | Q | A | -1.5610 | |
| 735 | A | A | 0.0000 | |
| 736 | A | A | 0.0000 | |
| 737 | G | A | -1.1025 | |
| 738 | D | A | -0.7530 | |
| 739 | M | A | -0.3246 | |
| 740 | R | A | -1.1643 | |
| 741 | L | A | -0.1135 | |
| 742 | M | A | 0.8136 | |
| 743 | N | A | 0.0000 | |
| 744 | P | A | 0.3361 | |
| 745 | V | A | 0.3532 | |
| 746 | S | A | 0.0000 | |
| 747 | L | A | 0.0000 | |
| 748 | V | A | 0.0000 | |
| 749 | E | A | 0.0000 | |
| 750 | N | A | -0.8495 | |
| 751 | H | A | -1.4251 | |
| 752 | S | A | -1.0132 | |
| 753 | A | A | -0.8979 | |
| 754 | C | A | 0.0000 | |
| 755 | R | A | -2.3325 | |
| 756 | T | A | -1.9677 | |
| 757 | N | A | -2.0597 | |
| 758 | R | A | -2.3088 | |
| 759 | A | A | -1.4150 | |
| 760 | G | A | -1.7431 | |
| 761 | Q | A | -1.6354 | |
| 762 | R | A | -1.7026 | |
| 763 | V | A | -1.1753 | |
| 764 | L | A | 0.0000 | |
| 765 | P | A | -1.0206 | |
| 766 | N | A | -1.5493 | |
| 767 | G | A | -1.2368 | |
| 768 | Q | A | -0.6516 | |
| 769 | V | A | -0.4966 | |
| 770 | W | A | 0.0000 | |
| 771 | K | A | -0.3748 | |
| 772 | P | A | 0.0000 | |
| 773 | H | A | -0.2876 | |
| 774 | L | A | 0.0000 | |
| 775 | L | A | 0.0000 | |
| 776 | L | A | 0.0000 | |
| 777 | L | A | 0.0000 | |
| 778 | S | A | 0.0000 | |
| 779 | F | A | 0.0000 | |
| 780 | A | A | 0.0000 | |
| 781 | S | A | -0.2064 | |
| 782 | K | A | -0.6363 | |
| 783 | I | A | 0.0000 | |
| 784 | L | A | -0.2920 | |
| 785 | A | A | -0.5464 | |
| 786 | E | A | -1.0872 | |
| 787 | A | A | 0.0000 | |
| 788 | N | A | -1.1077 | |
| 789 | A | A | -1.2561 | |
| 790 | L | A | -0.8539 | |
| 791 | L | A | 0.0000 | |
| 792 | K | A | -2.5916 | |
| 793 | L | A | -1.3750 | |
| 794 | Q | A | -2.1699 | |
| 795 | D | A | -2.6178 | |
| 796 | N | A | -1.9083 | |
| 797 | I | A | 0.0513 | |
| 798 | P | A | -0.6193 | |
| 799 | G | A | -0.9270 | |
| 800 | R | A | -1.7223 | |
| 801 | P | A | -0.8297 | |
| 802 | F | A | -0.2073 | |
| 803 | A | A | -1.1449 | |
| 804 | A | A | -1.3540 | |
| 805 | R | A | -2.1535 | |
| 806 | S | A | -2.0428 | |
| 807 | K | A | -2.5257 | |
| 808 | A | A | -1.3992 | |
| 809 | P | A | 0.0000 | |
| 810 | P | A | -0.1539 | |
| 811 | L | A | 0.0000 | |
| 812 | P | A | 0.3003 | |
| 813 | F | A | 0.0792 | |
| 814 | L | A | 0.0000 | |
| 815 | L | A | 0.0000 | |
| 816 | S | A | -0.0338 | |
| 817 | S | A | -0.2233 | |
| 818 | L | A | 0.0000 | |
| 819 | L | A | 0.0000 | |
| 820 | Q | A | -1.0050 | |
| 821 | S | A | -0.7760 | |
| 822 | R | A | -0.8093 | |
| 823 | P | A | -0.5755 | |
| 824 | Q | A | -0.4173 | |
| 825 | P | A | -0.2028 | |
| 826 | K | A | -1.3493 | |
| 827 | L | A | 0.0000 | |
| 828 | P | A | -1.4198 | |
| 829 | E | A | -2.2728 | |
| 830 | Q | A | -2.0141 | |
| 831 | Q | A | -1.7892 | |
| 832 | Y | A | -0.7609 | |
| 833 | G | A | -2.3350 | |
| 834 | D | A | -3.2278 | |
| 835 | E | A | -3.3856 | |
| 836 | E | A | -2.7913 | |
| 837 | D | A | -3.4649 | |
| 838 | E | A | -2.7427 | |
| 839 | D | A | -2.4475 | |
| 840 | D | A | -2.6006 | |
| 841 | L | A | -2.2104 | |
| 842 | E | A | -2.7182 | |
| 843 | E | A | -3.0298 | |
| 844 | S | A | -1.9509 | |
| 845 | S | A | -2.2849 | |
| 846 | D | A | -3.3779 | |
| 847 | S | A | -2.9351 | |
| 848 | D | A | -3.8487 | |
| 849 | E | A | -4.3365 | |
| 850 | E | A | -4.5010 | |
| 851 | S | A | -3.2963 | |
| 852 | E | A | -3.0820 | |
| 853 | Y | A | -2.2401 | |
| 854 | D | A | -2.7837 | |
| 855 | Q | A | -2.4078 | |
| 856 | L | A | -0.9733 | |
| 857 | P | A | -0.6465 | |
| 858 | P | A | -0.5504 | |
| 859 | F | A | 0.0240 | |
| 860 | K | A | -1.2738 | |
| 861 | S | A | -0.8570 | |
| 862 | L | A | -0.6384 | |
| 863 | T | A | -1.2070 | |
| 864 | K | A | -1.9105 | |
| 865 | A | A | -1.1259 | |
| 866 | Q | A | -1.3641 | |
| 867 | M | A | 0.0000 | |
| 868 | A | A | -0.8584 | |
| 869 | T | A | -0.8069 | |
| 870 | L | A | -1.0618 | |
| 871 | S | A | -1.6349 | |
| 872 | K | A | -2.9365 | |
| 873 | S | A | -2.6235 | |
| 874 | Q | A | -3.0458 | |
| 875 | K | A | -3.1311 | |
| 876 | K | A | -3.6531 | |
| 877 | Q | A | -3.4508 | |
| 878 | Y | A | 0.0000 | |
| 879 | L | A | -1.9082 | |
| 880 | D | A | -2.9372 | |
| 881 | E | A | -1.9190 | |
| 882 | M | A | -1.4862 | |
| 883 | E | A | -2.2463 | |
| 884 | Y | A | -0.9328 | |
| 885 | R | A | -1.0242 | |
| 886 | E | A | -2.2769 | |
| 887 | K | A | -1.5723 | |
| 888 | L | A | -1.5247 | |
| 889 | L | A | -1.1260 | |
| 890 | M | A | -1.0246 | |
| 891 | K | A | -2.2156 | |
| 892 | K | A | -3.1123 | |
| 893 | Q | A | -2.4090 | |
| 894 | M | A | -2.0214 | |
| 895 | K | A | -3.0340 | |
| 896 | E | A | -3.5945 | |
| 897 | E | A | -3.2120 | |
| 898 | R | A | -2.9560 | |
| 899 | K | A | -3.0215 | |
| 900 | R | A | -3.1112 | |
| 901 | R | A | -1.8855 | |
| 902 | K | A | -2.1038 | |
| 903 | M | A | -0.4086 | |
| 904 | F | A | 0.6050 | |
| 905 | K | A | -1.0513 | |
| 906 | K | A | -0.8540 | |
| 907 | F | A | 1.3630 | |
| 908 | A | A | 0.3019 | |
| 909 | A | A | -0.5713 | |
| 910 | E | A | -0.8217 | |
| 911 | I | A | 0.5521 | |
| 912 | K | A | -1.5457 | |
| 913 | D | A | -1.9764 | |
| 914 | L | A | -0.1699 | |
| 915 | P | A | -0.8421 | |
| 916 | D | A | -1.7444 | |
| 917 | G | A | -0.8220 | |
| 918 | Y | A | -0.1077 | |
| 919 | S | A | -0.8120 | |
| 920 | E | A | -2.0206 | |
| 921 | N | A | -1.8529 | |
| 922 | V | A | -0.9226 | |
| 923 | E | A | -2.8935 | |
| 924 | E | A | -3.4511 | |
| 925 | E | A | -3.2010 | |
| 926 | S | A | -2.2426 | |
| 927 | G | A | -1.8169 | |
| 928 | G | A | -1.2028 | |
| 929 | P | A | -0.4258 | |
| 930 | A | A | -0.2794 | |
| 931 | S | A | 0.2382 | |
| 932 | V | A | 1.9303 | |
| 933 | P | A | 1.3672 | |
| 934 | V | A | 2.0472 | |
| 935 | P | A | 0.3814 | |
| 936 | M | A | -0.2888 | |
| 937 | P | A | -0.9370 | |
| 938 | D | A | -1.9221 | |
| 939 | L | A | -0.4028 | |
| 940 | S | A | -0.1683 | |
| 941 | L | A | 0.5403 | |
| 942 | P | A | -0.0164 | |
| 943 | A | A | 0.1243 | |
| 944 | S | A | -0.3416 | |
| 945 | F | A | 0.2809 | |
| 946 | D | A | -2.0003 | |
| 947 | S | A | -1.8696 | |
| 948 | D | A | -2.7853 | |
| 949 | N | A | -2.8550 | |
| 950 | P | A | -1.9358 | |
| 951 | T | A | -1.3829 | |
| 952 | H | A | -1.6469 | |
| 953 | R | A | -1.6468 | |
| 954 | Y | A | -0.1479 | |
| 955 | R | A | -1.4616 | |
| 956 | Y | A | 0.1523 | |
| 957 | L | A | 1.2115 | |
| 958 | D | A | -0.0951 | |
| 959 | S | A | -0.1871 | |
| 960 | S | A | -0.9009 | |
| 961 | N | A | -1.6543 | |
| 962 | Q | A | -1.2516 | |
| 963 | W | A | 0.2975 | |
| 964 | L | A | 1.1995 | |
| 965 | V | A | 1.4739 | |
| 966 | R | A | 0.0314 | |
| 967 | P | A | 0.2703 | |
| 968 | V | A | 0.3278 | |
| 969 | L | A | 0.2001 | |
| 970 | E | A | -0.5819 | |
| 971 | T | A | -0.3204 | |
| 972 | H | A | -1.1570 | |
| 973 | G | A | -0.5605 | |
| 974 | W | A | -0.1052 | |
| 975 | D | A | -1.2193 | |
| 976 | H | A | -1.3277 | |
| 977 | D | A | -0.6968 | |
| 978 | I | A | 1.1509 | |
| 979 | G | A | 0.0000 | |
| 980 | Y | A | 0.1169 | |
| 981 | E | A | -1.3753 | |
| 982 | G | A | -0.4429 | |
| 983 | V | A | 0.8674 | |
| 984 | N | A | 0.5506 | |
| 985 | A | A | 0.8007 | |
| 986 | E | A | -0.1446 | |
| 987 | R | A | 0.4680 | |
| 988 | L | A | 0.7979 | |
| 989 | F | A | 0.9992 | |
| 990 | V | A | 0.0391 | |
| 991 | V | A | -0.6130 | |
| 992 | K | A | -2.5554 | |
| 993 | E | A | -2.9565 | |
| 994 | K | A | -2.8227 | |
| 995 | I | A | -0.9333 | |
| 996 | P | A | 0.0000 | |
| 997 | I | A | 1.1638 | |
| 998 | S | A | 0.3457 | |
| 999 | V | A | 0.1174 | |
| 1000 | S | A | -0.3750 | |
| 1001 | G | A | -0.1749 | |
| 1002 | Q | A | 0.0155 | |
| 1003 | V | A | 0.6229 | |
| 1004 | T | A | -0.9102 | |
| 1005 | K | A | -3.0608 | |
| 1006 | D | A | -3.7225 | |
| 1007 | K | A | -3.6896 | |
| 1008 | K | A | -3.5449 | |
| 1009 | D | A | -3.3369 | |
| 1010 | A | A | -2.3234 | |
| 1011 | N | A | -1.3072 | |
| 1012 | V | A | 0.1708 | |
| 1013 | Q | A | -0.5681 | |
| 1014 | L | A | -0.3879 | |
| 1015 | E | A | -1.1210 | |
| 1016 | M | A | 0.2572 | |
| 1017 | A | A | 0.3880 | |
| 1018 | S | A | 0.9248 | |
| 1019 | S | A | -0.2925 | |
| 1020 | V | A | -0.9343 | |
| 1021 | K | A | -2.8915 | |
| 1022 | H | A | -2.4763 | |
| 1023 | G | A | -2.4567 | |
| 1024 | E | A | -2.8433 | |
| 1025 | G | A | -2.2214 | |
| 1026 | K | A | -2.2890 | |
| 1027 | S | A | 0.0000 | |
| 1028 | T | A | -0.5017 | |
| 1029 | S | A | 0.0999 | |
| 1030 | L | A | 1.2653 | |
| 1031 | G | A | 0.0000 | |
| 1032 | F | A | 0.9769 | |
| 1033 | D | A | 0.0397 | |
| 1034 | M | A | 0.1500 | |
| 1035 | Q | A | -0.4919 | |
| 1036 | T | A | -0.7703 | |
| 1037 | V | A | -0.8910 | |
| 1038 | G | A | -1.6570 | |
| 1039 | K | A | -2.5907 | |
| 1040 | E | A | -2.2053 | |
| 1041 | L | A | -0.7225 | |
| 1042 | A | A | 0.0000 | |
| 1043 | Y | A | 0.7576 | |
| 1044 | T | A | 0.7408 | |
| 1045 | L | A | 1.5918 | |
| 1046 | R | A | 1.2218 | |
| 1047 | S | A | 0.9888 | |
| 1048 | E | A | 0.5130 | |
| 1049 | T | A | 0.1159 | |
| 1050 | R | A | 0.0000 | |
| 1051 | F | A | -0.4821 | |
| 1052 | N | A | -1.5930 | |
| 1053 | N | A | -1.1468 | |
| 1054 | F | A | 0.0081 | |
| 1055 | R | A | -2.1005 | |
| 1056 | R | A | -1.8561 | |
| 1057 | N | A | -0.8436 | |
| 1058 | K | A | -1.0826 | |
| 1059 | A | A | 0.0316 | |
| 1060 | A | A | 0.0000 | |
| 1061 | A | A | 1.1323 | |
| 1062 | G | A | 0.0000 | |
| 1063 | L | A | 2.3630 | |
| 1064 | S | A | 0.0000 | |
| 1065 | V | A | 1.3855 | |
| 1066 | T | A | 0.0000 | |
| 1067 | H | A | -0.2093 | |
| 1068 | L | A | 0.0000 | |
| 1069 | G | A | -1.8847 | |
| 1070 | D | A | -2.2320 | |
| 1071 | S | A | 0.0000 | |
| 1072 | V | A | 0.3114 | |
| 1073 | S | A | 0.0000 | |
| 1074 | A | A | 0.9226 | |
| 1075 | G | A | 0.0000 | |
| 1076 | L | A | 2.1653 | |
| 1077 | K | A | 0.0000 | |
| 1078 | V | A | 2.0302 | |
| 1079 | E | A | 0.0000 | |
| 1080 | D | A | 0.0988 | |
| 1081 | K | A | 0.0000 | |
| 1082 | F | A | 0.6862 | |
| 1083 | I | A | 0.0000 | |
| 1084 | A | A | -0.0901 | |
| 1085 | S | A | -0.4886 | |
| 1086 | K | A | -0.8613 | |
| 1087 | W | A | 0.0507 | |
| 1088 | F | A | 0.5240 | |
| 1089 | R | A | 0.3207 | |
| 1090 | I | A | 0.9356 | |
| 1091 | V | A | 0.5431 | |
| 1092 | M | A | 1.0995 | |
| 1093 | S | A | 0.0000 | |
| 1094 | G | A | 0.9287 | |
| 1095 | G | A | 1.1382 | |
| 1096 | A | A | 1.3210 | |
| 1097 | M | A | 0.0000 | |
| 1098 | T | A | 0.4589 | |
| 1099 | S | A | 0.0000 | |
| 1100 | R | A | -1.7336 | |
| 1101 | G | A | -1.1970 | |
| 1102 | D | A | -0.5765 | |
| 1103 | F | A | 0.9043 | |
| 1104 | A | A | 0.0000 | |
| 1105 | Y | A | 1.4071 | |
| 1106 | G | A | 0.7565 | |
| 1107 | G | A | 0.8544 | |
| 1108 | T | A | 0.6597 | |
| 1109 | L | A | 0.9903 | |
| 1110 | E | A | 0.4170 | |
| 1111 | A | A | 0.7054 | |
| 1112 | Q | A | 0.2257 | |
| 1113 | L | A | 0.6131 | |
| 1114 | R | A | -0.3097 | |
| 1115 | D | A | -1.0023 | |
| 1116 | K | A | -1.6985 | |
| 1117 | D | A | -1.3710 | |
| 1118 | Y | A | -0.4429 | |
| 1119 | P | A | -0.4822 | |
| 1120 | L | A | -0.6847 | |
| 1121 | G | A | -0.7647 | |
| 1122 | R | A | -0.7468 | |
| 1123 | F | A | 0.1820 | |
| 1124 | L | A | 0.4023 | |
| 1125 | T | A | 0.4561 | |
| 1126 | T | A | 0.1716 | |
| 1127 | L | A | 0.8805 | |
| 1128 | G | A | 0.7687 | |
| 1129 | L | A | 1.7430 | |
| 1130 | S | A | 1.1591 | |
| 1131 | V | A | 1.6778 | |
| 1132 | M | A | 0.0000 | |
| 1133 | D | A | -0.0836 | |
| 1134 | W | A | -0.4559 | |
| 1135 | H | A | -1.2999 | |
| 1136 | G | A | -1.5636 | |
| 1137 | D | A | -1.8186 | |
| 1138 | L | A | -0.1659 | |
| 1139 | A | A | -0.2536 | |
| 1140 | I | A | 0.7205 | |
| 1141 | G | A | 0.3922 | |
| 1142 | G | A | 0.8690 | |
| 1143 | N | A | 0.4104 | |
| 1144 | I | A | 0.9319 | |
| 1145 | Q | A | 0.1121 | |
| 1146 | S | A | 0.4665 | |
| 1147 | Q | A | 0.2905 | |
| 1148 | V | A | 0.9401 | |
| 1149 | P | A | 0.4145 | |
| 1150 | I | A | 0.9512 | |
| 1151 | G | A | -0.3324 | |
| 1152 | R | A | -1.2501 | |
| 1153 | S | A | -1.1578 | |
| 1154 | S | A | 0.0000 | |
| 1155 | N | A | -0.1222 | |
| 1156 | L | A | 0.8569 | |
| 1157 | I | A | 0.3994 | |
| 1158 | A | A | 0.6632 | |
| 1159 | R | A | -0.1705 | |
| 1160 | A | A | 0.5425 | |
| 1161 | N | A | 0.0745 | |
| 1162 | L | A | 0.5462 | |
| 1163 | N | A | -0.9924 | |
| 1164 | N | A | -1.8172 | |
| 1165 | R | A | -2.4299 | |
| 1166 | G | A | -1.6440 | |
| 1167 | A | A | -1.3338 | |
| 1168 | G | A | -0.8498 | |
| 1169 | Q | A | -0.5374 | |
| 1170 | V | A | 1.3813 | |
| 1171 | S | A | 0.6351 | |
| 1172 | V | A | 1.4436 | |
| 1173 | R | A | -0.6464 | |
| 1174 | V | A | 0.5754 | |
| 1175 | N | A | -0.9610 | |
| 1176 | S | A | -1.0539 | |
| 1177 | S | A | -1.3592 | |
| 1178 | E | A | -2.1740 | |
| 1179 | Q | A | -1.1668 | |
| 1180 | L | A | 0.5721 | |
| 1181 | Q | A | 0.0776 | |
| 1182 | L | A | 1.3509 | |
| 1183 | A | A | 1.6628 | |
| 1184 | M | A | 2.2718 | |
| 1185 | V | A | 3.0293 | |
| 1186 | A | A | 2.2501 | |
| 1187 | I | A | 2.6196 | |
| 1188 | V | A | 2.2941 | |
| 1189 | P | A | 1.0898 | |
| 1190 | L | A | 1.9785 | |
| 1191 | F | A | 2.3634 | |
| 1192 | K | A | 0.1667 | |
| 1193 | K | A | 0.3134 | |
| 1194 | L | A | 2.0075 | |
| 1195 | L | A | 2.5088 | |
| 1196 | S | A | 1.4709 | |
| 1197 | Y | A | 2.3908 | |
| 1198 | Y | A | 2.6353 | |
| 1199 | Y | A | 2.2095 | |
| 1200 | P | A | 0.5233 | |
| 1201 | Q | A | -0.8363 | |
| 1202 | T | A | -0.7884 | |
| 1203 | Q | A | -1.2687 | |
| 1204 | Y | A | 0.0069 | |
| 1205 | G | A | -0.7704 | |
| 1206 | Q | A | -1.2434 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.3675 | 4.9006 | View | CSV | PDB |
| 4.5 | -0.4823 | 4.781 | View | CSV | PDB |
| 5.0 | -0.6284 | 4.602 | View | CSV | PDB |
| 5.5 | -0.7807 | 4.3931 | View | CSV | PDB |
| 6.0 | -0.9128 | 4.3948 | View | CSV | PDB |
| 6.5 | -1.0063 | 4.6292 | View | CSV | PDB |
| 7.0 | -1.0577 | 4.9421 | View | CSV | PDB |
| 7.5 | -1.0782 | 5.2931 | View | CSV | PDB |
| 8.0 | -1.0808 | 5.658 | View | CSV | PDB |
| 8.5 | -1.0703 | 6.0265 | View | CSV | PDB |
| 9.0 | -1.0449 | 6.3928 | 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