| Chain sequence(s) |
A: SPALQALSPLLGSWAGRGAIDERGEYLEEVVFAHVGKPFLTYTQQTRFDRVLKTDVNKQFEMGAAPTGDADLTTAPTPASRENPAYGKHMQDAEMLHSETGRLRVSRPGSVELVLRGATSGYLKGNSAAFNLVGLFGRDETAVAADDIPNVSLSQAVVELYTDTAFATEIEVGTYSVTGDVIELELSTRDQSKPKVEELNVLCNAAEFTINKPKGYVGQEFPLNIKAGTVSATDTKDASIDYHEDRSYRIDGDELSYSLQMASFDADTIRIAQPKLETSILKMTTWNPTISGSGIDVDTKITDTLQIVSLQLNKMKSRLDHLAARLHRQR
C: SPALQALSPLLGSWAGRGAIDERGEYLEEVVFAHVGKPFLTYTQQTRFDRVLKTDVNKQFEMGAAPTGDADLTTAPTPASRENPAYGKHMQDAEMLHSETGRLRVSRPGSVELVLRGATSGYLKGNSAAFNLVGLFGRDETAVAADDIPNVSLSQAVVELYTDTAFATEIEVGTYSVTGDVIELELSTRDQSKPKVEELNVLCNAAEFTINKPKGYVGQEFPLNIKAGTVSATDTKDASIDYHEDRSYRIDGDELSYSLQMASFDADTIRIAQPKLETSILKMTTWNPTISGSGIDVDTKITDTLQIVSLQLNKMKSRLDHLAARLHRQR B: SPALQALSPLLGSWAGRGAIDERGEYLEEVVFAHVGKPFLTYTQQTRFDRVLKTDVNKQFEMGAAPTGDADLTTAPTPASRENPAYGKHMQDAEMLHSETGRLRVSRPGSVELVLRGATSGYLKGNSAAFNLVGLFGRDETAVAADDIPNVSLSQAVVELYTDTAFATEIEVGTYSVTGDVIELELSTRDQSKPKVEELNVLCNAAEFTINKPKGYVGQEFPLNIKAGTVSATDTKDASIDYHEDRSYRIDGDELSYSLQMASFDADTIRIAQPKLETSILKMTTWNPTISGSGIDVDTKITDTLQIVSLQLNKMKSRLDHLAARLHRQR input PDB |
| Selected Chain(s) | A,B,C |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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 all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:24:06)
[INFO] Main: Simulation completed successfully. (00:24:22)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | S | A | -0.7499 | |
| 2 | P | A | -0.7568 | |
| 3 | A | A | -1.1204 | |
| 4 | L | A | 0.0000 | |
| 5 | Q | A | -1.3297 | |
| 6 | A | A | -0.8025 | |
| 7 | L | A | 0.0000 | |
| 8 | S | A | -0.5458 | |
| 9 | P | A | -0.3358 | |
| 10 | L | A | 0.0000 | |
| 11 | L | A | -0.1727 | |
| 12 | G | A | 0.0000 | |
| 13 | S | A | 0.0000 | |
| 14 | W | A | 0.0000 | |
| 15 | A | A | -0.3105 | |
| 16 | G | A | -0.4712 | |
| 17 | R | A | -0.3296 | |
| 18 | G | A | 0.0000 | |
| 19 | A | A | -0.2443 | |
| 20 | I | A | -0.0862 | |
| 21 | D | A | -0.8632 | |
| 22 | E | A | -1.8859 | |
| 23 | R | A | 0.0000 | |
| 24 | G | A | 0.0000 | |
| 25 | E | A | -0.4689 | |
| 26 | Y | A | -0.1169 | |
| 27 | L | A | -0.1871 | |
| 28 | E | A | 0.0000 | |
| 29 | E | A | 0.0000 | |
| 30 | V | A | 0.0000 | |
| 31 | V | A | 0.0000 | |
| 32 | F | A | 0.0000 | |
| 33 | A | A | 0.0000 | |
| 34 | H | A | -0.6234 | |
| 35 | V | A | -0.6346 | |
| 36 | G | A | -0.8225 | |
| 37 | K | A | -1.1643 | |
| 38 | P | A | -1.1684 | |
| 39 | F | A | -1.3590 | |
| 40 | L | A | 0.0000 | |
| 41 | T | A | -0.9032 | |
| 42 | Y | A | 0.0000 | |
| 43 | T | A | -0.5076 | |
| 44 | Q | A | 0.0000 | |
| 45 | Q | A | 0.0000 | |
| 46 | T | A | 0.0000 | |
| 47 | R | A | -0.7334 | |
| 48 | F | A | 0.0000 | |
| 49 | D | A | 0.0000 | |
| 50 | R | A | 0.0000 | |
| 51 | V | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | K | A | -1.1066 | |
| 54 | T | A | 0.0000 | |
| 55 | D | A | -1.3202 | |
| 56 | V | A | -1.1952 | |
| 57 | N | A | -2.4045 | |
| 58 | K | A | -3.0153 | |
| 59 | Q | A | -3.2926 | |
| 60 | F | A | 0.0000 | |
| 61 | E | A | -2.2338 | |
| 62 | M | A | 0.0000 | |
| 63 | G | A | 0.0000 | |
| 64 | A | A | -0.3359 | |
| 65 | A | A | -0.0371 | |
| 66 | P | A | -0.2255 | |
| 67 | T | A | -0.2931 | |
| 68 | G | A | -0.6872 | |
| 69 | D | A | -1.1262 | |
| 70 | A | A | -1.0436 | |
| 71 | D | A | -1.7840 | |
| 72 | L | A | -0.9487 | |
| 73 | T | A | -0.7454 | |
| 74 | T | A | -0.4498 | |
| 75 | A | A | -0.4773 | |
| 76 | P | A | -0.3163 | |
| 77 | T | A | -0.1963 | |
| 78 | P | A | -0.6178 | |
| 79 | A | A | -1.0007 | |
| 80 | S | A | -1.7518 | |
| 81 | R | A | -2.2770 | |
| 82 | E | A | -3.1004 | |
| 83 | N | A | 0.0000 | |
| 84 | P | A | -0.9617 | |
| 85 | A | A | 0.0000 | |
| 86 | Y | A | -0.8465 | |
| 87 | G | A | -0.8792 | |
| 88 | K | A | -0.9475 | |
| 89 | H | A | -1.1066 | |
| 90 | M | A | 0.0000 | |
| 91 | Q | A | 0.0000 | |
| 92 | D | A | -0.3661 | |
| 93 | A | A | 0.0000 | |
| 94 | E | A | -0.5302 | |
| 95 | M | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | H | A | 0.0000 | |
| 98 | S | A | 0.0000 | |
| 99 | E | A | 0.0000 | |
| 100 | T | A | -0.8971 | |
| 101 | G | A | -1.0582 | |
| 102 | R | A | -2.0825 | |
| 103 | L | A | 0.0000 | |
| 104 | R | A | -2.2207 | |
| 105 | V | A | -1.5422 | |
| 106 | S | A | -1.4439 | |
| 107 | R | A | -2.3405 | |
| 108 | P | A | -1.2416 | |
| 109 | G | A | -0.7129 | |
| 110 | S | A | -0.9901 | |
| 111 | V | A | 0.0000 | |
| 112 | E | A | -0.5737 | |
| 113 | L | A | 0.0000 | |
| 114 | V | A | -0.1674 | |
| 115 | L | A | 0.0000 | |
| 116 | R | A | -1.6814 | |
| 117 | G | A | 0.0000 | |
| 118 | A | A | 0.0000 | |
| 119 | T | A | 0.0000 | |
| 120 | S | A | -0.6943 | |
| 121 | G | A | -0.2767 | |
| 122 | Y | A | -0.0028 | |
| 123 | L | A | 0.0000 | |
| 124 | K | A | 0.0000 | |
| 125 | G | A | 0.0000 | |
| 126 | N | A | -0.4578 | |
| 127 | S | A | 0.0000 | |
| 128 | A | A | 0.0000 | |
| 129 | A | A | 0.0000 | |
| 130 | F | A | 0.0000 | |
| 131 | N | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | G | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | F | A | 0.0000 | |
| 137 | G | A | 0.0000 | |
| 138 | R | A | -1.0714 | |
| 139 | D | A | -1.4300 | |
| 140 | E | A | -1.3597 | |
| 141 | T | A | -0.8282 | |
| 142 | A | A | -0.2539 | |
| 143 | V | A | 0.0222 | |
| 144 | A | A | -0.2856 | |
| 145 | A | A | -0.7596 | |
| 146 | D | A | -1.6977 | |
| 147 | D | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | P | A | 0.0000 | |
| 150 | N | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | S | A | -0.1146 | |
| 153 | L | A | 0.0000 | |
| 154 | S | A | -0.2273 | |
| 155 | Q | A | -0.3161 | |
| 156 | A | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | V | A | 0.0000 | |
| 159 | E | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | Y | A | 0.0000 | |
| 162 | T | A | 0.0000 | |
| 163 | D | A | 0.0000 | |
| 164 | T | A | 0.0000 | |
| 165 | A | A | -0.9601 | |
| 166 | F | A | -0.4828 | |
| 167 | A | A | -0.8613 | |
| 168 | T | A | -0.7344 | |
| 169 | E | A | -0.8181 | |
| 170 | I | A | 1.2048 | |
| 171 | E | A | 0.8523 | |
| 172 | V | A | 1.4308 | |
| 173 | G | A | 0.0000 | |
| 174 | T | A | -0.8244 | |
| 175 | Y | A | 0.0000 | |
| 176 | S | A | -0.3443 | |
| 177 | V | A | 0.2034 | |
| 178 | T | A | -0.0912 | |
| 179 | G | A | -0.7098 | |
| 180 | D | A | -1.1665 | |
| 181 | V | A | 0.0550 | |
| 182 | I | A | 0.0000 | |
| 183 | E | A | -1.8115 | |
| 184 | L | A | 0.0000 | |
| 185 | E | A | -2.0714 | |
| 186 | L | A | 0.0000 | |
| 187 | S | A | -0.9261 | |
| 188 | T | A | 0.0000 | |
| 189 | R | A | -2.5689 | |
| 190 | D | A | 0.0000 | |
| 191 | Q | A | -2.3069 | |
| 192 | S | A | 0.0000 | |
| 193 | K | A | -2.5506 | |
| 194 | P | A | 0.0000 | |
| 195 | K | A | -2.3068 | |
| 196 | V | A | 0.0000 | |
| 197 | E | A | 0.0000 | |
| 198 | E | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | N | A | 0.0000 | |
| 201 | V | A | 0.0000 | |
| 202 | L | A | 0.0000 | |
| 203 | C | A | 0.0000 | |
| 204 | N | A | 0.0000 | |
| 205 | A | A | 0.0000 | |
| 206 | A | A | 0.0000 | |
| 207 | E | A | 0.0000 | |
| 208 | F | A | 0.0000 | |
| 209 | T | A | 0.0000 | |
| 210 | I | A | -0.8390 | |
| 211 | N | A | -1.7710 | |
| 212 | K | A | -2.7962 | |
| 213 | P | A | 0.0000 | |
| 214 | K | A | -3.5729 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | V | A | -1.7203 | |
| 218 | G | A | -1.4422 | |
| 219 | Q | A | -1.9010 | |
| 220 | E | A | -2.4680 | |
| 221 | F | A | -1.5287 | |
| 222 | P | A | -1.1162 | |
| 223 | L | A | -1.0892 | |
| 224 | N | A | -1.6929 | |
| 225 | I | A | -0.4097 | |
| 226 | K | A | -0.7653 | |
| 227 | A | A | 0.0000 | |
| 228 | G | A | -0.3618 | |
| 229 | T | A | 0.0000 | |
| 230 | V | A | 1.2819 | |
| 231 | S | A | 0.3648 | |
| 232 | A | A | -0.6760 | |
| 233 | T | A | -1.4200 | |
| 234 | D | A | -2.4908 | |
| 235 | T | A | -2.5303 | |
| 236 | K | A | -3.4730 | |
| 237 | D | A | -3.7713 | |
| 238 | A | A | 0.0000 | |
| 239 | S | A | -2.5564 | |
| 240 | I | A | 0.0000 | |
| 241 | D | A | -2.5288 | |
| 242 | Y | A | 0.0000 | |
| 243 | H | A | -1.6887 | |
| 244 | E | A | 0.0000 | |
| 245 | D | A | -1.5974 | |
| 246 | R | A | 0.0000 | |
| 247 | S | A | -1.0754 | |
| 248 | Y | A | 0.0000 | |
| 249 | R | A | -2.6299 | |
| 250 | I | A | 0.0000 | |
| 251 | D | A | -2.1519 | |
| 252 | G | A | -1.0285 | |
| 253 | D | A | -0.9562 | |
| 254 | E | A | -1.6859 | |
| 255 | L | A | 0.0000 | |
| 256 | S | A | -1.6713 | |
| 257 | Y | A | 0.0000 | |
| 258 | S | A | -0.8381 | |
| 259 | L | A | 0.0000 | |
| 260 | Q | A | -1.4514 | |
| 261 | M | A | 0.0000 | |
| 262 | A | A | -0.6165 | |
| 263 | S | A | -0.8258 | |
| 264 | F | A | 0.0000 | |
| 265 | D | A | -2.0950 | |
| 266 | A | A | 0.0000 | |
| 267 | D | A | -2.2149 | |
| 268 | T | A | -1.1996 | |
| 269 | I | A | 0.0000 | |
| 270 | R | A | 0.0000 | |
| 271 | I | A | 0.0000 | |
| 272 | A | A | -0.4501 | |
| 273 | Q | A | 0.0000 | |
| 274 | P | A | -0.0024 | |
| 275 | K | A | -0.2879 | |
| 276 | L | A | 0.0075 | |
| 277 | E | A | -1.2323 | |
| 278 | T | A | -0.8459 | |
| 279 | S | A | -0.5764 | |
| 280 | I | A | -0.2631 | |
| 281 | L | A | 0.0000 | |
| 282 | K | A | -1.1324 | |
| 283 | M | A | 0.0000 | |
| 284 | T | A | -0.3025 | |
| 285 | T | A | 0.0173 | |
| 286 | W | A | 0.0752 | |
| 287 | N | A | 0.0000 | |
| 288 | P | A | 0.0000 | |
| 289 | T | A | 0.0000 | |
| 290 | I | A | 0.0000 | |
| 291 | S | A | 0.0000 | |
| 292 | G | A | 0.0000 | |
| 293 | S | A | -0.7889 | |
| 294 | G | A | -0.5008 | |
| 295 | I | A | 0.4274 | |
| 296 | D | A | 0.0000 | |
| 297 | V | A | 0.4339 | |
| 298 | D | A | -0.6848 | |
| 299 | T | A | -0.7860 | |
| 300 | K | A | -0.8216 | |
| 301 | I | A | 0.0000 | |
| 302 | T | A | 0.0000 | |
| 303 | D | A | -0.2643 | |
| 304 | T | A | 0.0000 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | 0.0572 | |
| 307 | I | A | 0.3173 | |
| 308 | V | A | 0.0000 | |
| 309 | S | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | Q | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | K | A | -1.4450 | |
| 315 | M | A | 0.0000 | |
| 316 | K | A | -1.2996 | |
| 317 | S | A | -1.1335 | |
| 318 | R | A | -1.0609 | |
| 319 | L | A | -1.1350 | |
| 320 | D | A | -2.2954 | |
| 321 | H | A | -1.9238 | |
| 322 | L | A | 0.0000 | |
| 323 | A | A | -0.7111 | |
| 324 | A | A | -0.9170 | |
| 325 | R | A | -2.0608 | |
| 326 | L | A | 0.0000 | |
| 327 | H | A | 0.0000 | |
| 328 | R | A | -0.9417 | |
| 329 | Q | A | 0.0000 | |
| 330 | R | A | -2.1549 | |
| 1 | S | B | -0.7824 | |
| 2 | P | B | -0.7544 | |
| 3 | A | B | -1.1413 | |
| 4 | L | B | 0.0000 | |
| 5 | Q | B | -1.3280 | |
| 6 | A | B | -0.8075 | |
| 7 | L | B | 0.0000 | |
| 8 | S | B | -0.5570 | |
| 9 | P | B | -0.3277 | |
| 10 | L | B | 0.0000 | |
| 11 | L | B | -0.0157 | |
| 12 | G | B | 0.0000 | |
| 13 | S | B | 0.0000 | |
| 14 | W | B | 0.0000 | |
| 15 | A | B | -0.3593 | |
| 16 | G | B | -0.4639 | |
| 17 | R | B | -0.2385 | |
| 18 | G | B | 0.0000 | |
| 19 | A | B | -0.2200 | |
| 20 | I | B | -0.0893 | |
| 21 | D | B | -0.9004 | |
| 22 | E | B | -1.9402 | |
| 23 | R | B | 0.0000 | |
| 24 | G | B | 0.0000 | |
| 25 | E | B | -0.4479 | |
| 26 | Y | B | -0.0544 | |
| 27 | L | B | -0.1662 | |
| 28 | E | B | 0.0000 | |
| 29 | E | B | -0.3726 | |
| 30 | V | B | 0.0000 | |
| 31 | V | B | -0.0170 | |
| 32 | F | B | 0.0000 | |
| 33 | A | B | 0.0000 | |
| 34 | H | B | -0.6776 | |
| 35 | V | B | -0.6946 | |
| 36 | G | B | -0.9411 | |
| 37 | K | B | -1.4357 | |
| 38 | P | B | -1.3396 | |
| 39 | F | B | -1.5332 | |
| 40 | L | B | 0.0000 | |
| 41 | T | B | -0.9464 | |
| 42 | Y | B | 0.0000 | |
| 43 | T | B | -0.5264 | |
| 44 | Q | B | 0.0000 | |
| 45 | Q | B | 0.0000 | |
| 46 | T | B | 0.0000 | |
| 47 | R | B | -0.6685 | |
| 48 | F | B | 0.0000 | |
| 49 | D | B | 0.0000 | |
| 50 | R | B | 0.0000 | |
| 51 | V | B | 0.0000 | |
| 52 | L | B | 0.0000 | |
| 53 | K | B | -1.0526 | |
| 54 | T | B | 0.0000 | |
| 55 | D | B | -1.3025 | |
| 56 | V | B | -1.1774 | |
| 57 | N | B | -2.3844 | |
| 58 | K | B | -2.9970 | |
| 59 | Q | B | -3.4109 | |
| 60 | F | B | 0.0000 | |
| 61 | E | B | -2.7813 | |
| 62 | M | B | 0.0000 | |
| 63 | G | B | 0.0000 | |
| 64 | A | B | -0.4095 | |
| 65 | A | B | -0.0206 | |
| 66 | P | B | -0.2127 | |
| 67 | T | B | -0.2787 | |
| 68 | G | B | -0.6826 | |
| 69 | D | B | -1.1572 | |
| 70 | A | B | -1.0831 | |
| 71 | D | B | -1.8529 | |
| 72 | L | B | -0.9885 | |
| 73 | T | B | -0.7681 | |
| 74 | T | B | -0.4605 | |
| 75 | A | B | -0.4812 | |
| 76 | P | B | -0.3142 | |
| 77 | T | B | -0.1955 | |
| 78 | P | B | -0.7418 | |
| 79 | A | B | -1.1728 | |
| 80 | S | B | -1.9932 | |
| 81 | R | B | -2.4240 | |
| 82 | E | B | -3.1635 | |
| 83 | N | B | 0.0000 | |
| 84 | P | B | -0.9346 | |
| 85 | A | B | 0.0000 | |
| 86 | Y | B | -0.7471 | |
| 87 | G | B | -0.8172 | |
| 88 | K | B | -0.8965 | |
| 89 | H | B | -1.0660 | |
| 90 | M | B | 0.0000 | |
| 91 | Q | B | 0.0000 | |
| 92 | D | B | -0.4112 | |
| 93 | A | B | 0.0000 | |
| 94 | E | B | -0.5809 | |
| 95 | M | B | 0.0000 | |
| 96 | L | B | 0.0000 | |
| 97 | H | B | 0.0000 | |
| 98 | S | B | 0.0000 | |
| 99 | E | B | 0.0000 | |
| 100 | T | B | -0.9123 | |
| 101 | G | B | 0.0000 | |
| 102 | R | B | -2.1739 | |
| 103 | L | B | 0.0000 | |
| 104 | R | B | -2.3064 | |
| 105 | V | B | -1.5709 | |
| 106 | S | B | -1.4614 | |
| 107 | R | B | -2.3514 | |
| 108 | P | B | -1.2553 | |
| 109 | G | B | -0.7405 | |
| 110 | S | B | -1.0207 | |
| 111 | V | B | 0.0000 | |
| 112 | E | B | -0.4274 | |
| 113 | L | B | 0.0000 | |
| 114 | V | B | 0.0426 | |
| 115 | L | B | 0.0000 | |
| 116 | R | B | -1.8007 | |
| 117 | G | B | -1.0158 | |
| 118 | A | B | 0.0000 | |
| 119 | T | B | 0.0000 | |
| 120 | S | B | 0.0000 | |
| 121 | G | B | -0.2718 | |
| 122 | Y | B | -0.0417 | |
| 123 | L | B | 0.0000 | |
| 124 | K | B | 0.0000 | |
| 125 | G | B | 0.0000 | |
| 126 | N | B | -0.4884 | |
| 127 | S | B | 0.0000 | |
| 128 | A | B | 0.0000 | |
| 129 | A | B | 0.0000 | |
| 130 | F | B | 0.0000 | |
| 131 | N | B | 0.0000 | |
| 132 | L | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | G | B | 0.0000 | |
| 135 | L | B | 0.0000 | |
| 136 | F | B | 0.0000 | |
| 137 | G | B | 0.0000 | |
| 138 | R | B | -1.0988 | |
| 139 | D | B | -1.4837 | |
| 140 | E | B | -1.3941 | |
| 141 | T | B | -0.8645 | |
| 142 | A | B | -0.2565 | |
| 143 | V | B | 0.0695 | |
| 144 | A | B | -0.2147 | |
| 145 | A | B | -0.5872 | |
| 146 | D | B | -1.6056 | |
| 147 | D | B | 0.0000 | |
| 148 | I | B | 0.0000 | |
| 149 | P | B | 0.0000 | |
| 150 | N | B | 0.0000 | |
| 151 | V | B | 0.0000 | |
| 152 | S | B | -0.1151 | |
| 153 | L | B | 0.0000 | |
| 154 | S | B | -0.2297 | |
| 155 | Q | B | -0.3184 | |
| 156 | A | B | 0.0000 | |
| 157 | V | B | 0.0000 | |
| 158 | V | B | 0.0000 | |
| 159 | E | B | 0.0000 | |
| 160 | L | B | 0.0000 | |
| 161 | Y | B | 0.0000 | |
| 162 | T | B | 0.0000 | |
| 163 | D | B | 0.0000 | |
| 164 | T | B | 0.0000 | |
| 165 | A | B | -0.9582 | |
| 166 | F | B | -0.5394 | |
| 167 | A | B | -0.9399 | |
| 168 | T | B | -0.7368 | |
| 169 | E | B | -0.7313 | |
| 170 | I | B | 1.5096 | |
| 171 | E | B | 1.0201 | |
| 172 | V | B | 1.5015 | |
| 173 | G | B | 0.0000 | |
| 174 | T | B | -0.7903 | |
| 175 | Y | B | 0.0000 | |
| 176 | S | B | -0.2923 | |
| 177 | V | B | 0.2787 | |
| 178 | T | B | -0.0636 | |
| 179 | G | B | -0.7332 | |
| 180 | D | B | -1.1982 | |
| 181 | V | B | 0.0873 | |
| 182 | I | B | 0.0000 | |
| 183 | E | B | -1.3494 | |
| 184 | L | B | 0.0000 | |
| 185 | E | B | -1.9995 | |
| 186 | L | B | 0.0000 | |
| 187 | S | B | -0.9193 | |
| 188 | T | B | 0.0000 | |
| 189 | R | B | -2.6494 | |
| 190 | D | B | 0.0000 | |
| 191 | Q | B | -2.3026 | |
| 192 | S | B | 0.0000 | |
| 193 | K | B | -2.4668 | |
| 194 | P | B | 0.0000 | |
| 195 | K | B | -2.1292 | |
| 196 | V | B | 0.0000 | |
| 197 | E | B | 0.0000 | |
| 198 | E | B | 0.0000 | |
| 199 | L | B | 0.0000 | |
| 200 | N | B | 0.0000 | |
| 201 | V | B | 0.0000 | |
| 202 | L | B | 0.0000 | |
| 203 | C | B | 0.0000 | |
| 204 | N | B | 0.0000 | |
| 205 | A | B | 0.0000 | |
| 206 | A | B | 0.0000 | |
| 207 | E | B | 0.0000 | |
| 208 | F | B | 0.0000 | |
| 209 | T | B | 0.0000 | |
| 210 | I | B | -0.8107 | |
| 211 | N | B | -1.7060 | |
| 212 | K | B | -2.5027 | |
| 213 | P | B | 0.0000 | |
| 214 | K | B | -3.4082 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | V | B | -1.3271 | |
| 218 | G | B | -1.0978 | |
| 219 | Q | B | -1.3160 | |
| 220 | E | B | -2.2560 | |
| 221 | F | B | -1.4699 | |
| 222 | P | B | -0.9107 | |
| 223 | L | B | -0.7970 | |
| 224 | N | B | -1.2679 | |
| 225 | I | B | 0.0685 | |
| 226 | K | B | -0.5293 | |
| 227 | A | B | 0.0000 | |
| 228 | G | B | -0.2467 | |
| 229 | T | B | 0.2704 | |
| 230 | V | B | 1.3106 | |
| 231 | S | B | 0.4094 | |
| 232 | A | B | -0.6060 | |
| 233 | T | B | -1.4071 | |
| 234 | D | B | -2.4470 | |
| 235 | T | B | -2.4405 | |
| 236 | K | B | -3.2998 | |
| 237 | D | B | -3.4079 | |
| 238 | A | B | 0.0000 | |
| 239 | S | B | -2.3846 | |
| 240 | I | B | 0.0000 | |
| 241 | D | B | -2.3384 | |
| 242 | Y | B | 0.0000 | |
| 243 | H | B | -1.7342 | |
| 244 | E | B | 0.0000 | |
| 245 | D | B | -1.7934 | |
| 246 | R | B | 0.0000 | |
| 247 | S | B | -1.0652 | |
| 248 | Y | B | 0.0000 | |
| 249 | R | B | -2.0974 | |
| 250 | I | B | 0.0000 | |
| 251 | D | B | -1.7981 | |
| 252 | G | B | -0.8490 | |
| 253 | D | B | -0.9415 | |
| 254 | E | B | -1.5738 | |
| 255 | L | B | 0.0000 | |
| 256 | S | B | -1.5259 | |
| 257 | Y | B | 0.0000 | |
| 258 | S | B | -0.8696 | |
| 259 | L | B | 0.0000 | |
| 260 | Q | B | -1.8470 | |
| 261 | M | B | 0.0000 | |
| 262 | A | B | -0.7376 | |
| 263 | S | B | -0.8579 | |
| 264 | F | B | 0.0000 | |
| 265 | D | B | -1.9966 | |
| 266 | A | B | 0.0000 | |
| 267 | D | B | -2.1178 | |
| 268 | T | B | -1.0813 | |
| 269 | I | B | 0.0000 | |
| 270 | R | B | 0.0000 | |
| 271 | I | B | 0.0000 | |
| 272 | A | B | -0.4278 | |
| 273 | Q | B | 0.0000 | |
| 274 | P | B | 0.0883 | |
| 275 | K | B | -0.1340 | |
| 276 | L | B | 0.1519 | |
| 277 | E | B | -1.1253 | |
| 278 | T | B | -0.8264 | |
| 279 | S | B | -0.6007 | |
| 280 | I | B | -0.4227 | |
| 281 | L | B | 0.0000 | |
| 282 | K | B | -1.1843 | |
| 283 | M | B | 0.0000 | |
| 284 | T | B | -0.2604 | |
| 285 | T | B | 0.0552 | |
| 286 | W | B | 0.0797 | |
| 287 | N | B | 0.0000 | |
| 288 | P | B | 0.0000 | |
| 289 | T | B | 0.0000 | |
| 290 | I | B | 0.0000 | |
| 291 | S | B | 0.0000 | |
| 292 | G | B | -0.4336 | |
| 293 | S | B | -0.8377 | |
| 294 | G | B | -0.5838 | |
| 295 | I | B | 0.2856 | |
| 296 | D | B | 0.0000 | |
| 297 | V | B | 0.1993 | |
| 298 | D | B | -0.9285 | |
| 299 | T | B | -0.9020 | |
| 300 | K | B | -0.9165 | |
| 301 | I | B | 0.0000 | |
| 302 | T | B | 0.0000 | |
| 303 | D | B | -0.4227 | |
| 304 | T | B | 0.0000 | |
| 305 | L | B | 0.0000 | |
| 306 | Q | B | 0.0451 | |
| 307 | I | B | 0.3973 | |
| 308 | V | B | 0.0000 | |
| 309 | S | B | 0.0000 | |
| 310 | L | B | 0.0000 | |
| 311 | Q | B | 0.0000 | |
| 312 | L | B | 0.0000 | |
| 313 | N | B | 0.0000 | |
| 314 | K | B | -1.4330 | |
| 315 | M | B | 0.0000 | |
| 316 | K | B | -1.4033 | |
| 317 | S | B | -1.2296 | |
| 318 | R | B | -1.0885 | |
| 319 | L | B | -1.2112 | |
| 320 | D | B | -2.4004 | |
| 321 | H | B | -2.0606 | |
| 322 | L | B | 0.0000 | |
| 323 | A | B | -0.7652 | |
| 324 | A | B | -0.9100 | |
| 325 | R | B | -2.0363 | |
| 326 | L | B | 0.0000 | |
| 327 | H | B | -1.0794 | |
| 328 | R | B | 0.0000 | |
| 329 | Q | B | 0.0000 | |
| 330 | R | B | -2.2508 | |
| 1 | S | C | -0.7909 | |
| 2 | P | C | -0.7736 | |
| 3 | A | C | -1.1820 | |
| 4 | L | C | 0.0000 | |
| 5 | Q | C | -1.3477 | |
| 6 | A | C | -0.8265 | |
| 7 | L | C | 0.0000 | |
| 8 | S | C | -0.5412 | |
| 9 | P | C | -0.3047 | |
| 10 | L | C | 0.0000 | |
| 11 | L | C | -0.0373 | |
| 12 | G | C | 0.0000 | |
| 13 | S | C | 0.0000 | |
| 14 | W | C | 0.0000 | |
| 15 | A | C | -0.2543 | |
| 16 | G | C | -0.4017 | |
| 17 | R | C | -0.2390 | |
| 18 | G | C | 0.0000 | |
| 19 | A | C | -0.2498 | |
| 20 | I | C | -0.1098 | |
| 21 | D | C | -0.8856 | |
| 22 | E | C | -1.9224 | |
| 23 | R | C | 0.0000 | |
| 24 | G | C | 0.0000 | |
| 25 | E | C | -0.5563 | |
| 26 | Y | C | -0.1108 | |
| 27 | L | C | -0.1164 | |
| 28 | E | C | 0.0000 | |
| 29 | E | C | 0.0000 | |
| 30 | V | C | 0.0000 | |
| 31 | V | C | 0.0000 | |
| 32 | F | C | 0.0000 | |
| 33 | A | C | 0.0000 | |
| 34 | H | C | -0.8027 | |
| 35 | V | C | -0.8271 | |
| 36 | G | C | -1.0980 | |
| 37 | K | C | -1.7925 | |
| 38 | P | C | -1.5139 | |
| 39 | F | C | -1.6676 | |
| 40 | L | C | 0.0000 | |
| 41 | T | C | -1.0446 | |
| 42 | Y | C | 0.0000 | |
| 43 | T | C | -0.4991 | |
| 44 | Q | C | 0.0000 | |
| 45 | Q | C | 0.0000 | |
| 46 | T | C | 0.0000 | |
| 47 | R | C | -0.5667 | |
| 48 | F | C | 0.0000 | |
| 49 | D | C | 0.0000 | |
| 50 | R | C | -0.7979 | |
| 51 | V | C | 0.0000 | |
| 52 | L | C | 0.0000 | |
| 53 | K | C | -1.1508 | |
| 54 | T | C | 0.0000 | |
| 55 | D | C | -1.3450 | |
| 56 | V | C | -1.1393 | |
| 57 | N | C | -2.2661 | |
| 58 | K | C | -2.7284 | |
| 59 | Q | C | -3.2761 | |
| 60 | F | C | 0.0000 | |
| 61 | E | C | -2.7690 | |
| 62 | M | C | 0.0000 | |
| 63 | G | C | 0.0000 | |
| 64 | A | C | -0.4041 | |
| 65 | A | C | -0.0144 | |
| 66 | P | C | -0.1727 | |
| 67 | T | C | -0.2314 | |
| 68 | G | C | -0.6096 | |
| 69 | D | C | -1.0328 | |
| 70 | A | C | -0.9944 | |
| 71 | D | C | -1.7366 | |
| 72 | L | C | -0.9415 | |
| 73 | T | C | -0.7561 | |
| 74 | T | C | -0.4557 | |
| 75 | A | C | -0.4914 | |
| 76 | P | C | -0.3143 | |
| 77 | T | C | -0.1962 | |
| 78 | P | C | -0.7380 | |
| 79 | A | C | -1.1580 | |
| 80 | S | C | -1.9274 | |
| 81 | R | C | -2.3668 | |
| 82 | E | C | -3.0894 | |
| 83 | N | C | 0.0000 | |
| 84 | P | C | -0.8973 | |
| 85 | A | C | 0.0000 | |
| 86 | Y | C | -0.7116 | |
| 87 | G | C | -0.7756 | |
| 88 | K | C | -0.9313 | |
| 89 | H | C | -1.2177 | |
| 90 | M | C | 0.0000 | |
| 91 | Q | C | 0.0000 | |
| 92 | D | C | -0.4561 | |
| 93 | A | C | 0.0000 | |
| 94 | E | C | -0.5132 | |
| 95 | M | C | 0.0000 | |
| 96 | L | C | -0.1287 | |
| 97 | H | C | 0.0000 | |
| 98 | S | C | -0.2648 | |
| 99 | E | C | 0.0000 | |
| 100 | T | C | -0.7769 | |
| 101 | G | C | 0.0000 | |
| 102 | R | C | -2.2030 | |
| 103 | L | C | 0.0000 | |
| 104 | R | C | -2.4718 | |
| 105 | V | C | 0.0000 | |
| 106 | S | C | -1.6396 | |
| 107 | R | C | -2.4456 | |
| 108 | P | C | -1.2831 | |
| 109 | G | C | -0.7445 | |
| 110 | S | C | -1.1488 | |
| 111 | V | C | 0.0000 | |
| 112 | E | C | -0.7789 | |
| 113 | L | C | 0.0000 | |
| 114 | V | C | 0.0453 | |
| 115 | L | C | 0.0000 | |
| 116 | R | C | -1.3281 | |
| 117 | G | C | -0.7886 | |
| 118 | A | C | 0.0000 | |
| 119 | T | C | 0.0000 | |
| 120 | S | C | 0.0000 | |
| 121 | G | C | -0.2224 | |
| 122 | Y | C | -0.0228 | |
| 123 | L | C | 0.0000 | |
| 124 | K | C | 0.0000 | |
| 125 | G | C | 0.0000 | |
| 126 | N | C | -0.4779 | |
| 127 | S | C | 0.0000 | |
| 128 | A | C | 0.0000 | |
| 129 | A | C | 0.0000 | |
| 130 | F | C | 0.0000 | |
| 131 | N | C | 0.0000 | |
| 132 | L | C | 0.0000 | |
| 133 | V | C | 0.0000 | |
| 134 | G | C | 0.0000 | |
| 135 | L | C | 0.0000 | |
| 136 | F | C | 0.0000 | |
| 137 | G | C | 0.0000 | |
| 138 | R | C | -1.1004 | |
| 139 | D | C | -1.4993 | |
| 140 | E | C | -1.4247 | |
| 141 | T | C | -0.8891 | |
| 142 | A | C | -0.2828 | |
| 143 | V | C | 0.0187 | |
| 144 | A | C | -0.2417 | |
| 145 | A | C | -0.6559 | |
| 146 | D | C | -1.6482 | |
| 147 | D | C | 0.0000 | |
| 148 | I | C | 0.0000 | |
| 149 | P | C | 0.0000 | |
| 150 | N | C | 0.0000 | |
| 151 | V | C | 0.0000 | |
| 152 | S | C | -0.1126 | |
| 153 | L | C | 0.0000 | |
| 154 | S | C | -0.2219 | |
| 155 | Q | C | -0.3206 | |
| 156 | A | C | 0.0000 | |
| 157 | V | C | 0.0000 | |
| 158 | V | C | 0.0000 | |
| 159 | E | C | 0.0000 | |
| 160 | L | C | 0.0000 | |
| 161 | Y | C | 0.0000 | |
| 162 | T | C | 0.0000 | |
| 163 | D | C | -1.3521 | |
| 164 | T | C | 0.0000 | |
| 165 | A | C | -0.9495 | |
| 166 | F | C | -0.4307 | |
| 167 | A | C | -0.8129 | |
| 168 | T | C | -0.5919 | |
| 169 | E | C | -0.7454 | |
| 170 | I | C | 1.4351 | |
| 171 | E | C | 0.8819 | |
| 172 | V | C | 1.3296 | |
| 173 | G | C | 0.0000 | |
| 174 | T | C | -0.9248 | |
| 175 | Y | C | 0.0000 | |
| 176 | S | C | -0.3417 | |
| 177 | V | C | 0.2566 | |
| 178 | T | C | -0.0460 | |
| 179 | G | C | -0.6911 | |
| 180 | D | C | -1.1413 | |
| 181 | V | C | 0.1219 | |
| 182 | I | C | 0.0000 | |
| 183 | E | C | -1.6298 | |
| 184 | L | C | 0.0000 | |
| 185 | E | C | -2.2185 | |
| 186 | L | C | 0.0000 | |
| 187 | S | C | -0.9447 | |
| 188 | T | C | 0.0000 | |
| 189 | R | C | -2.6951 | |
| 190 | D | C | 0.0000 | |
| 191 | Q | C | -2.3572 | |
| 192 | S | C | 0.0000 | |
| 193 | K | C | -2.4408 | |
| 194 | P | C | 0.0000 | |
| 195 | K | C | -1.8697 | |
| 196 | V | C | 0.0000 | |
| 197 | E | C | 0.0000 | |
| 198 | E | C | 0.0000 | |
| 199 | L | C | 0.0000 | |
| 200 | N | C | 0.0000 | |
| 201 | V | C | 0.0000 | |
| 202 | L | C | 0.0000 | |
| 203 | C | C | 0.0000 | |
| 204 | N | C | 0.0000 | |
| 205 | A | C | 0.0000 | |
| 206 | A | C | 0.0000 | |
| 207 | E | C | 0.0000 | |
| 208 | F | C | 0.0000 | |
| 209 | T | C | 0.0000 | |
| 210 | I | C | -0.7703 | |
| 211 | N | C | -1.6390 | |
| 212 | K | C | -2.3154 | |
| 213 | P | C | 0.0000 | |
| 214 | K | C | -3.2958 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | V | C | -1.6582 | |
| 218 | G | C | -1.4262 | |
| 219 | Q | C | -1.8775 | |
| 220 | E | C | -2.5382 | |
| 221 | F | C | -1.6178 | |
| 222 | P | C | -1.0601 | |
| 223 | L | C | -1.0044 | |
| 224 | N | C | -1.5352 | |
| 225 | I | C | -0.0794 | |
| 226 | K | C | -0.6348 | |
| 227 | A | C | 0.0000 | |
| 228 | G | C | -0.2919 | |
| 229 | T | C | 0.2237 | |
| 230 | V | C | 1.2865 | |
| 231 | S | C | 0.3950 | |
| 232 | A | C | -0.6336 | |
| 233 | T | C | -1.4231 | |
| 234 | D | C | -2.4808 | |
| 235 | T | C | -2.4448 | |
| 236 | K | C | -3.3063 | |
| 237 | D | C | -3.2939 | |
| 238 | A | C | 0.0000 | |
| 239 | S | C | -2.2542 | |
| 240 | I | C | 0.0000 | |
| 241 | D | C | -2.3574 | |
| 242 | Y | C | 0.0000 | |
| 243 | H | C | -1.8434 | |
| 244 | E | C | 0.0000 | |
| 245 | D | C | -1.8370 | |
| 246 | R | C | 0.0000 | |
| 247 | S | C | -1.0792 | |
| 248 | Y | C | 0.0000 | |
| 249 | R | C | -2.1040 | |
| 250 | I | C | 0.0000 | |
| 251 | D | C | -2.0624 | |
| 252 | G | C | -0.9208 | |
| 253 | D | C | -0.9728 | |
| 254 | E | C | -1.5384 | |
| 255 | L | C | 0.0000 | |
| 256 | S | C | -1.5073 | |
| 257 | Y | C | 0.0000 | |
| 258 | S | C | -0.8687 | |
| 259 | L | C | 0.0000 | |
| 260 | Q | C | -1.9286 | |
| 261 | M | C | 0.0000 | |
| 262 | A | C | -0.7872 | |
| 263 | S | C | -0.9137 | |
| 264 | F | C | 0.0000 | |
| 265 | D | C | -2.0598 | |
| 266 | A | C | 0.0000 | |
| 267 | D | C | -2.1882 | |
| 268 | T | C | -1.1962 | |
| 269 | I | C | 0.0000 | |
| 270 | R | C | 0.0000 | |
| 271 | I | C | 0.0000 | |
| 272 | A | C | -0.4374 | |
| 273 | Q | C | 0.0000 | |
| 274 | P | C | 0.0529 | |
| 275 | K | C | -0.2134 | |
| 276 | L | C | 0.0467 | |
| 277 | E | C | -1.1791 | |
| 278 | T | C | -0.8451 | |
| 279 | S | C | -0.5976 | |
| 280 | I | C | -0.3595 | |
| 281 | L | C | 0.0000 | |
| 282 | K | C | -1.2155 | |
| 283 | M | C | 0.0000 | |
| 284 | T | C | -0.2930 | |
| 285 | T | C | 0.0237 | |
| 286 | W | C | 0.0593 | |
| 287 | N | C | 0.0000 | |
| 288 | P | C | 0.0000 | |
| 289 | T | C | 0.0000 | |
| 290 | I | C | 0.0000 | |
| 291 | S | C | 0.0000 | |
| 292 | G | C | 0.0000 | |
| 293 | S | C | -0.7295 | |
| 294 | G | C | -0.4463 | |
| 295 | I | C | 0.3795 | |
| 296 | D | C | 0.0000 | |
| 297 | V | C | 0.1334 | |
| 298 | D | C | -1.0028 | |
| 299 | T | C | -0.9396 | |
| 300 | K | C | -0.9568 | |
| 301 | I | C | 0.0000 | |
| 302 | T | C | 0.0000 | |
| 303 | D | C | -0.3307 | |
| 304 | T | C | 0.0000 | |
| 305 | L | C | 0.0000 | |
| 306 | Q | C | 0.0034 | |
| 307 | I | C | 0.3349 | |
| 308 | V | C | 0.0000 | |
| 309 | S | C | 0.0000 | |
| 310 | L | C | 0.0000 | |
| 311 | Q | C | 0.0000 | |
| 312 | L | C | 0.0000 | |
| 313 | N | C | 0.0000 | |
| 314 | K | C | -1.4670 | |
| 315 | M | C | 0.0000 | |
| 316 | K | C | -1.4546 | |
| 317 | S | C | -1.3039 | |
| 318 | R | C | -1.1760 | |
| 319 | L | C | -1.2347 | |
| 320 | D | C | -2.4239 | |
| 321 | H | C | -2.0893 | |
| 322 | L | C | 0.0000 | |
| 323 | A | C | -0.7751 | |
| 324 | A | C | -0.9136 | |
| 325 | R | C | -1.9852 | |
| 326 | L | C | 0.0000 | |
| 327 | H | C | 0.0000 | |
| 328 | R | C | 0.0000 | |
| 329 | Q | C | 0.0000 | |
| 330 | R | C | -2.5897 |
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