| Chain sequence(s) |
A: STRDQNGTWEMESANEFDARVLKTDVNKQFEMGAAPTGDADLTTAPTPASRENPAYGKHMQDAELTQTKVIDQDGDNFKTKTTSTSGYLKGNSAAFNLVGLFGRDETAVAADDIPNVSLSQAVVELYTDTANYDVDFTVGTEFDEYTSPKVEELNVLCNAAEFTINKPKGYVGQEFPLNIKAGTVSATDTKDASIDYHEWKADVTWEGDVLVSDQKASFDADTIRIAQPKLETSILKMTTWNPTISGSGIDVDTKITDTLQIVSLQLNKMKSRKSGWKQWIEGDKLYLELTSIDEVSRQVFKKK
C: STRDQNGTWEMESANEFDARVLKTDVNKQFEMGAAPTGDADLTTAPTPASRENPAYGKHMQDAELTQTKVIDQDGDNFKTKTTSTSGYLKGNSAAFNLVGLFGRDETAVAADDIPNVSLSQAVVELYTDTANYDVDFTVGTEFDEYTSPKVEELNVLCNAAEFTINKPKGYVGQEFPLNIKAGTVSATDTKDASIDYHEWKADVTWEGDVLVSDQKASFDADTIRIAQPKLETSILKMTTWNPTISGSGIDVDTKITDTLQIVSLQLNKMKSRKSGWKQWIEGDKLYLELTSIDEVSRQVFKKK B: STRDQNGTWEMESANEFDARVLKTDVNKQFEMGAAPTGDADLTTAPTPASRENPAYGKHMQDAELTQTKVIDQDGDNFKTKTTSTSGYLKGNSAAFNLVGLFGRDETAVAADDIPNVSLSQAVVELYTDTANYDVDFTVGTEFDEYTSPKVEELNVLCNAAEFTINKPKGYVGQEFPLNIKAGTVSATDTKDASIDYHEWKADVTWEGDVLVSDQKASFDADTIRIAQPKLETSILKMTTWNPTISGSGIDVDTKITDTLQIVSLQLNKMKSRKSGWKQWIEGDKLYLELTSIDEVSRQVFKKK 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] (00:00:01)
[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] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:25:09)
[INFO] Main: Simulation completed successfully. (00:25:23)
|
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 | -1.5678 | |
| 2 | T | A | -1.9901 | |
| 3 | R | A | -2.9606 | |
| 4 | D | A | -3.5046 | |
| 5 | Q | A | -2.9043 | |
| 6 | N | A | -3.0547 | |
| 7 | G | A | -2.0317 | |
| 8 | T | A | -1.9025 | |
| 9 | W | A | 0.0000 | |
| 10 | E | A | -1.7404 | |
| 11 | M | A | -0.5421 | |
| 12 | E | A | -0.7522 | |
| 13 | S | A | -0.8181 | |
| 14 | A | A | -0.7943 | |
| 15 | N | A | -1.3528 | |
| 16 | E | A | -1.8042 | |
| 17 | F | A | -0.9551 | |
| 18 | D | A | -1.0761 | |
| 19 | A | A | 0.0000 | |
| 20 | R | A | -1.1977 | |
| 21 | V | A | -1.1648 | |
| 22 | L | A | 0.0000 | |
| 23 | K | A | -1.9709 | |
| 24 | T | A | 0.0000 | |
| 25 | D | A | -1.8180 | |
| 26 | V | A | -1.3760 | |
| 27 | N | A | -2.4620 | |
| 28 | K | A | -3.0081 | |
| 29 | Q | A | -3.3183 | |
| 30 | F | A | 0.0000 | |
| 31 | E | A | -2.3715 | |
| 32 | M | A | 0.0000 | |
| 33 | G | A | 0.0000 | |
| 34 | A | A | -0.3538 | |
| 35 | A | A | -0.0613 | |
| 36 | P | A | -0.1959 | |
| 37 | T | A | -0.2205 | |
| 38 | G | A | -0.6901 | |
| 39 | D | A | -1.2249 | |
| 40 | A | A | -0.9066 | |
| 41 | D | A | -1.3713 | |
| 42 | L | A | -0.6047 | |
| 43 | T | A | -0.5278 | |
| 44 | T | A | -0.5357 | |
| 45 | A | A | -0.5762 | |
| 46 | P | A | 0.0000 | |
| 47 | T | A | -0.3903 | |
| 48 | P | A | -0.6312 | |
| 49 | A | A | -1.0321 | |
| 50 | S | A | -1.8168 | |
| 51 | R | A | -2.3044 | |
| 52 | E | A | -3.0978 | |
| 53 | N | A | 0.0000 | |
| 54 | P | A | -0.9026 | |
| 55 | A | A | 0.0000 | |
| 56 | Y | A | -0.8409 | |
| 57 | G | A | -0.8930 | |
| 58 | K | A | -1.2777 | |
| 59 | H | A | -1.7029 | |
| 60 | M | A | 0.0000 | |
| 61 | Q | A | 0.0000 | |
| 62 | D | A | -0.6754 | |
| 63 | A | A | 0.0000 | |
| 64 | E | A | -1.1292 | |
| 65 | L | A | -0.5568 | |
| 66 | T | A | -0.5694 | |
| 67 | Q | A | 0.0000 | |
| 68 | T | A | -0.5568 | |
| 69 | K | A | 0.0000 | |
| 70 | V | A | -1.3116 | |
| 71 | I | A | 0.0000 | |
| 72 | D | A | -2.6233 | |
| 73 | Q | A | 0.0000 | |
| 74 | D | A | -3.7868 | |
| 75 | G | A | -3.2456 | |
| 76 | D | A | -2.7676 | |
| 77 | N | A | -2.8891 | |
| 78 | F | A | 0.0000 | |
| 79 | K | A | -3.4638 | |
| 80 | T | A | 0.0000 | |
| 81 | K | A | -3.3046 | |
| 82 | T | A | 0.0000 | |
| 83 | T | A | -1.3255 | |
| 84 | S | A | 0.0000 | |
| 85 | T | A | 0.0000 | |
| 86 | S | A | 0.0000 | |
| 87 | G | A | 0.0000 | |
| 88 | Y | A | -0.2409 | |
| 89 | L | A | 0.0000 | |
| 90 | K | A | 0.0000 | |
| 91 | G | A | 0.0000 | |
| 92 | N | A | -0.5529 | |
| 93 | S | A | 0.0000 | |
| 94 | A | A | 0.0000 | |
| 95 | A | A | 0.0000 | |
| 96 | F | A | 0.0000 | |
| 97 | N | A | 0.0000 | |
| 98 | L | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | G | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | F | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | R | A | 0.0000 | |
| 105 | D | A | -1.1958 | |
| 106 | E | A | -1.2301 | |
| 107 | T | A | -0.8351 | |
| 108 | A | A | -0.2312 | |
| 109 | V | A | 0.1207 | |
| 110 | A | A | -0.2862 | |
| 111 | A | A | -0.6621 | |
| 112 | D | A | -1.6634 | |
| 113 | D | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | P | A | 0.0000 | |
| 116 | N | A | 0.0000 | |
| 117 | V | A | 0.0000 | |
| 118 | S | A | -0.1204 | |
| 119 | L | A | 0.0000 | |
| 120 | S | A | -0.2533 | |
| 121 | Q | A | -0.3393 | |
| 122 | A | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | V | A | 0.0000 | |
| 125 | E | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | Y | A | 0.0000 | |
| 128 | T | A | 0.0000 | |
| 129 | D | A | -1.4789 | |
| 130 | T | A | -0.9361 | |
| 131 | A | A | -0.9390 | |
| 132 | N | A | -1.8984 | |
| 133 | Y | A | 0.0000 | |
| 134 | D | A | -3.1599 | |
| 135 | V | A | 0.0000 | |
| 136 | D | A | -3.4400 | |
| 137 | F | A | 0.0000 | |
| 138 | T | A | -1.9271 | |
| 139 | V | A | -1.2586 | |
| 140 | G | A | -1.5039 | |
| 141 | T | A | -1.7551 | |
| 142 | E | A | -3.0721 | |
| 143 | F | A | 0.0000 | |
| 144 | D | A | -2.0699 | |
| 145 | E | A | 0.0000 | |
| 146 | Y | A | 0.1496 | |
| 147 | T | A | 0.0000 | |
| 148 | S | A | -0.7592 | |
| 149 | P | A | 0.0000 | |
| 150 | K | A | -2.1665 | |
| 151 | V | A | 0.0000 | |
| 152 | E | A | -2.4041 | |
| 153 | E | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | N | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | C | A | 0.0000 | |
| 159 | N | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | E | A | 0.0000 | |
| 163 | F | A | 0.0000 | |
| 164 | T | A | 0.0000 | |
| 165 | I | A | -1.0285 | |
| 166 | N | A | -2.2504 | |
| 167 | K | A | -3.3265 | |
| 168 | P | A | 0.0000 | |
| 169 | K | A | -2.9591 | |
| 170 | G | A | 0.0000 | |
| 171 | Y | A | 0.0000 | |
| 172 | V | A | -1.2799 | |
| 173 | G | A | -1.0912 | |
| 174 | Q | A | -1.3357 | |
| 175 | E | A | -2.2339 | |
| 176 | F | A | -1.4106 | |
| 177 | P | A | -0.8943 | |
| 178 | L | A | -0.7586 | |
| 179 | N | A | -1.2008 | |
| 180 | I | A | -0.0279 | |
| 181 | K | A | -0.6009 | |
| 182 | A | A | 0.0000 | |
| 183 | G | A | -0.2368 | |
| 184 | T | A | 0.0000 | |
| 185 | V | A | 1.2568 | |
| 186 | S | A | 0.3629 | |
| 187 | A | A | -0.5415 | |
| 188 | T | A | -1.3337 | |
| 189 | D | A | -2.3641 | |
| 190 | T | A | -2.3070 | |
| 191 | K | A | -3.2111 | |
| 192 | D | A | -3.6188 | |
| 193 | A | A | 0.0000 | |
| 194 | S | A | -2.2644 | |
| 195 | I | A | 0.0000 | |
| 196 | D | A | -1.3130 | |
| 197 | Y | A | 0.0000 | |
| 198 | H | A | -0.6270 | |
| 199 | E | A | 0.0000 | |
| 200 | W | A | -1.2313 | |
| 201 | K | A | 0.0000 | |
| 202 | A | A | -2.2281 | |
| 203 | D | A | -2.7877 | |
| 204 | V | A | 0.0000 | |
| 205 | T | A | -1.2967 | |
| 206 | W | A | -1.5802 | |
| 207 | E | A | -2.2187 | |
| 208 | G | A | -1.9177 | |
| 209 | D | A | -2.2410 | |
| 210 | V | A | -1.0775 | |
| 211 | L | A | 0.0000 | |
| 212 | V | A | -1.0632 | |
| 213 | S | A | 0.0000 | |
| 214 | D | A | -2.3342 | |
| 215 | Q | A | 0.0000 | |
| 216 | K | A | -1.9553 | |
| 217 | A | A | 0.0000 | |
| 218 | S | A | 0.0000 | |
| 219 | F | A | 0.0000 | |
| 220 | D | A | -1.7579 | |
| 221 | A | A | 0.0000 | |
| 222 | D | A | -2.0992 | |
| 223 | T | A | -1.0686 | |
| 224 | I | A | 0.0000 | |
| 225 | R | A | 0.0000 | |
| 226 | I | A | 0.0000 | |
| 227 | A | A | -0.2941 | |
| 228 | Q | A | 0.0000 | |
| 229 | P | A | 0.0187 | |
| 230 | K | A | -0.3003 | |
| 231 | L | A | -0.1341 | |
| 232 | E | A | -1.2883 | |
| 233 | T | A | -0.9146 | |
| 234 | S | A | -0.6934 | |
| 235 | I | A | -0.3518 | |
| 236 | L | A | 0.0000 | |
| 237 | K | A | -1.3569 | |
| 238 | M | A | 0.0000 | |
| 239 | T | A | -0.3858 | |
| 240 | T | A | -0.2070 | |
| 241 | W | A | 0.0525 | |
| 242 | N | A | 0.0000 | |
| 243 | P | A | 0.0000 | |
| 244 | T | A | 0.0000 | |
| 245 | I | A | 0.0000 | |
| 246 | S | A | 0.0000 | |
| 247 | G | A | -0.4573 | |
| 248 | S | A | -0.9481 | |
| 249 | G | A | 0.0000 | |
| 250 | I | A | -0.0743 | |
| 251 | D | A | 0.0000 | |
| 252 | V | A | -0.2679 | |
| 253 | D | A | -1.4301 | |
| 254 | T | A | -1.2505 | |
| 255 | K | A | -1.3581 | |
| 256 | I | A | 0.0000 | |
| 257 | T | A | 0.0000 | |
| 258 | D | A | -0.3669 | |
| 259 | T | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | Q | A | 0.0823 | |
| 262 | I | A | 0.3366 | |
| 263 | V | A | 0.0000 | |
| 264 | S | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | Q | A | 0.0000 | |
| 267 | L | A | 0.0000 | |
| 268 | N | A | 0.0000 | |
| 269 | K | A | -1.6324 | |
| 270 | M | A | 0.0000 | |
| 271 | K | A | -1.9728 | |
| 272 | S | A | 0.0000 | |
| 273 | R | A | -2.6793 | |
| 274 | K | A | -2.8120 | |
| 275 | S | A | 0.0000 | |
| 276 | G | A | -1.0382 | |
| 277 | W | A | 0.0000 | |
| 278 | K | A | -0.8416 | |
| 279 | Q | A | 0.0000 | |
| 280 | W | A | -0.4292 | |
| 281 | I | A | -1.1432 | |
| 282 | E | A | -1.7368 | |
| 283 | G | A | -1.9314 | |
| 284 | D | A | -2.9085 | |
| 285 | K | A | -2.1206 | |
| 286 | L | A | 0.0000 | |
| 287 | Y | A | 0.0000 | |
| 288 | L | A | -0.1602 | |
| 289 | E | A | -0.2802 | |
| 290 | L | A | -0.2180 | |
| 291 | T | A | -0.1806 | |
| 292 | S | A | -0.1308 | |
| 293 | I | A | 0.8495 | |
| 294 | D | A | -0.6108 | |
| 295 | E | A | -0.2336 | |
| 296 | V | A | 0.2938 | |
| 297 | S | A | -0.3169 | |
| 298 | R | A | -0.5176 | |
| 299 | Q | A | -0.5393 | |
| 300 | V | A | 0.0000 | |
| 301 | F | A | 0.0000 | |
| 302 | K | A | -1.9786 | |
| 303 | K | A | -2.6608 | |
| 304 | K | A | -2.5647 | |
| 1 | S | B | -1.5743 | |
| 2 | T | B | 0.0000 | |
| 3 | R | B | -2.9658 | |
| 4 | D | B | -3.5118 | |
| 5 | Q | B | -2.8779 | |
| 6 | N | B | -3.1047 | |
| 7 | G | B | -1.9886 | |
| 8 | T | B | -1.6439 | |
| 9 | W | B | 0.0000 | |
| 10 | E | B | -1.3074 | |
| 11 | M | B | -0.4179 | |
| 12 | E | B | -0.5784 | |
| 13 | S | B | -0.7699 | |
| 14 | A | B | -0.8478 | |
| 15 | N | B | -1.5212 | |
| 16 | E | B | -1.4884 | |
| 17 | F | B | -0.8400 | |
| 18 | D | B | -1.0860 | |
| 19 | A | B | 0.0000 | |
| 20 | R | B | -1.0442 | |
| 21 | V | B | -0.9185 | |
| 22 | L | B | 0.0000 | |
| 23 | K | B | -1.8074 | |
| 24 | T | B | 0.0000 | |
| 25 | D | B | -2.0518 | |
| 26 | V | B | -1.5006 | |
| 27 | N | B | -2.5540 | |
| 28 | K | B | -3.1138 | |
| 29 | Q | B | -3.2931 | |
| 30 | F | B | 0.0000 | |
| 31 | E | B | -2.1211 | |
| 32 | M | B | 0.0000 | |
| 33 | G | B | 0.0000 | |
| 34 | A | B | -0.3184 | |
| 35 | A | B | -0.0691 | |
| 36 | P | B | -0.2681 | |
| 37 | T | B | -0.1736 | |
| 38 | G | B | -0.7415 | |
| 39 | D | B | -1.2571 | |
| 40 | A | B | -1.2431 | |
| 41 | D | B | -2.2177 | |
| 42 | L | B | -1.0192 | |
| 43 | T | B | -0.7619 | |
| 44 | T | B | -0.6507 | |
| 45 | A | B | -0.5806 | |
| 46 | P | B | 0.0000 | |
| 47 | T | B | -0.3901 | |
| 48 | P | B | -0.5768 | |
| 49 | A | B | -0.9480 | |
| 50 | S | B | -1.7017 | |
| 51 | R | B | -2.2439 | |
| 52 | E | B | -3.0805 | |
| 53 | N | B | 0.0000 | |
| 54 | P | B | -0.9194 | |
| 55 | A | B | 0.0000 | |
| 56 | Y | B | -0.8671 | |
| 57 | G | B | -0.8786 | |
| 58 | K | B | -1.1179 | |
| 59 | H | B | -1.3494 | |
| 60 | M | B | 0.0000 | |
| 61 | Q | B | 0.0000 | |
| 62 | D | B | -0.7293 | |
| 63 | A | B | 0.0000 | |
| 64 | E | B | -0.9186 | |
| 65 | L | B | -0.4382 | |
| 66 | T | B | -0.4997 | |
| 67 | Q | B | -0.4900 | |
| 68 | T | B | -0.5263 | |
| 69 | K | B | 0.0000 | |
| 70 | V | B | -0.8347 | |
| 71 | I | B | 0.0000 | |
| 72 | D | B | -1.9366 | |
| 73 | Q | B | 0.0000 | |
| 74 | D | B | -3.6463 | |
| 75 | G | B | -3.1900 | |
| 76 | D | B | -2.7194 | |
| 77 | N | B | -2.6339 | |
| 78 | F | B | 0.0000 | |
| 79 | K | B | -2.7429 | |
| 80 | T | B | 0.0000 | |
| 81 | K | B | -2.5153 | |
| 82 | T | B | 0.0000 | |
| 83 | T | B | -1.2404 | |
| 84 | S | B | 0.0000 | |
| 85 | T | B | 0.0000 | |
| 86 | S | B | 0.0000 | |
| 87 | G | B | 0.0000 | |
| 88 | Y | B | -0.1985 | |
| 89 | L | B | 0.0000 | |
| 90 | K | B | 0.0000 | |
| 91 | G | B | 0.0000 | |
| 92 | N | B | -0.4689 | |
| 93 | S | B | 0.0000 | |
| 94 | A | B | 0.0000 | |
| 95 | A | B | 0.0000 | |
| 96 | F | B | 0.0000 | |
| 97 | N | B | 0.0000 | |
| 98 | L | B | 0.0000 | |
| 99 | V | B | 0.0000 | |
| 100 | G | B | 0.0000 | |
| 101 | L | B | 0.0000 | |
| 102 | F | B | 0.0000 | |
| 103 | G | B | 0.0000 | |
| 104 | R | B | 0.0000 | |
| 105 | D | B | -1.4803 | |
| 106 | E | B | -1.3249 | |
| 107 | T | B | -0.8536 | |
| 108 | A | B | -0.2482 | |
| 109 | V | B | 0.1204 | |
| 110 | A | B | -0.2783 | |
| 111 | A | B | -0.6612 | |
| 112 | D | B | -1.6616 | |
| 113 | D | B | 0.0000 | |
| 114 | I | B | 0.0000 | |
| 115 | P | B | 0.0000 | |
| 116 | N | B | 0.0000 | |
| 117 | V | B | 0.0000 | |
| 118 | S | B | -0.1186 | |
| 119 | L | B | 0.0000 | |
| 120 | S | B | -0.2337 | |
| 121 | Q | B | -0.2201 | |
| 122 | A | B | 0.0000 | |
| 123 | V | B | 0.0000 | |
| 124 | V | B | 0.0000 | |
| 125 | E | B | 0.0000 | |
| 126 | L | B | 0.0000 | |
| 127 | Y | B | 0.0000 | |
| 128 | T | B | 0.0000 | |
| 129 | D | B | -1.4895 | |
| 130 | T | B | -0.9824 | |
| 131 | A | B | -1.0218 | |
| 132 | N | B | -1.8896 | |
| 133 | Y | B | 0.0000 | |
| 134 | D | B | -2.8959 | |
| 135 | V | B | 0.0000 | |
| 136 | D | B | -3.1063 | |
| 137 | F | B | 0.0000 | |
| 138 | T | B | -1.8230 | |
| 139 | V | B | -1.2286 | |
| 140 | G | B | -1.5030 | |
| 141 | T | B | -1.7489 | |
| 142 | E | B | -3.0353 | |
| 143 | F | B | 0.0000 | |
| 144 | D | B | -2.1290 | |
| 145 | E | B | 0.0000 | |
| 146 | Y | B | -0.1368 | |
| 147 | T | B | 0.0000 | |
| 148 | S | B | -0.8045 | |
| 149 | P | B | 0.0000 | |
| 150 | K | B | -1.9852 | |
| 151 | V | B | 0.0000 | |
| 152 | E | B | -2.3408 | |
| 153 | E | B | 0.0000 | |
| 154 | L | B | 0.0000 | |
| 155 | N | B | 0.0000 | |
| 156 | V | B | 0.0000 | |
| 157 | L | B | 0.0000 | |
| 158 | C | B | 0.0000 | |
| 159 | N | B | 0.0000 | |
| 160 | A | B | 0.0000 | |
| 161 | A | B | 0.0000 | |
| 162 | E | B | 0.0000 | |
| 163 | F | B | 0.0000 | |
| 164 | T | B | 0.0000 | |
| 165 | I | B | -1.1139 | |
| 166 | N | B | -2.3052 | |
| 167 | K | B | -3.2836 | |
| 168 | P | B | 0.0000 | |
| 169 | K | B | -3.2874 | |
| 170 | G | B | 0.0000 | |
| 171 | Y | B | 0.0000 | |
| 172 | V | B | -1.0886 | |
| 173 | G | B | -1.0012 | |
| 174 | Q | B | -1.2855 | |
| 175 | E | B | -2.1799 | |
| 176 | F | B | -1.3892 | |
| 177 | P | B | -0.8969 | |
| 178 | L | B | -0.7667 | |
| 179 | N | B | -1.2135 | |
| 180 | I | B | -0.0146 | |
| 181 | K | B | -0.6448 | |
| 182 | A | B | 0.0000 | |
| 183 | G | B | -0.3346 | |
| 184 | T | B | 0.0000 | |
| 185 | V | B | 1.2628 | |
| 186 | S | B | 0.3674 | |
| 187 | A | B | -0.6284 | |
| 188 | T | B | -1.4157 | |
| 189 | D | B | -2.4183 | |
| 190 | T | B | -2.3132 | |
| 191 | K | B | -3.0370 | |
| 192 | D | B | -3.1317 | |
| 193 | A | B | 0.0000 | |
| 194 | S | B | -2.0977 | |
| 195 | I | B | 0.0000 | |
| 196 | D | B | -1.1811 | |
| 197 | Y | B | 0.0000 | |
| 198 | H | B | -0.6110 | |
| 199 | E | B | 0.0000 | |
| 200 | W | B | -1.2096 | |
| 201 | K | B | 0.0000 | |
| 202 | A | B | -2.1459 | |
| 203 | D | B | -2.7367 | |
| 204 | V | B | 0.0000 | |
| 205 | T | B | -1.3451 | |
| 206 | W | B | -1.6457 | |
| 207 | E | B | -2.2893 | |
| 208 | G | B | -1.9541 | |
| 209 | D | B | -2.3126 | |
| 210 | V | B | -1.2491 | |
| 211 | L | B | 0.0000 | |
| 212 | V | B | -1.1631 | |
| 213 | S | B | 0.0000 | |
| 214 | D | B | -2.1403 | |
| 215 | Q | B | 0.0000 | |
| 216 | K | B | -1.8023 | |
| 217 | A | B | 0.0000 | |
| 218 | S | B | 0.0000 | |
| 219 | F | B | 0.0000 | |
| 220 | D | B | -1.7459 | |
| 221 | A | B | 0.0000 | |
| 222 | D | B | -2.0174 | |
| 223 | T | B | -1.0079 | |
| 224 | I | B | 0.0000 | |
| 225 | R | B | 0.0000 | |
| 226 | I | B | 0.0000 | |
| 227 | A | B | -0.4094 | |
| 228 | Q | B | 0.0000 | |
| 229 | P | B | -0.0063 | |
| 230 | K | B | -0.2751 | |
| 231 | L | B | -0.0687 | |
| 232 | E | B | -1.2259 | |
| 233 | T | B | -0.8623 | |
| 234 | S | B | -0.6395 | |
| 235 | I | B | -0.3114 | |
| 236 | L | B | 0.0000 | |
| 237 | K | B | -1.3242 | |
| 238 | M | B | -0.3430 | |
| 239 | T | B | -0.3254 | |
| 240 | T | B | -0.0145 | |
| 241 | W | B | 0.0321 | |
| 242 | N | B | 0.0000 | |
| 243 | P | B | 0.0000 | |
| 244 | T | B | 0.0000 | |
| 245 | I | B | 0.0000 | |
| 246 | S | B | 0.0000 | |
| 247 | G | B | -0.5646 | |
| 248 | S | B | -1.0124 | |
| 249 | G | B | 0.0000 | |
| 250 | I | B | -0.1842 | |
| 251 | D | B | 0.0000 | |
| 252 | V | B | -0.2211 | |
| 253 | D | B | -1.3953 | |
| 254 | T | B | -1.2598 | |
| 255 | K | B | -1.3928 | |
| 256 | I | B | 0.0000 | |
| 257 | T | B | 0.0000 | |
| 258 | D | B | -0.5350 | |
| 259 | T | B | 0.0000 | |
| 260 | L | B | 0.0000 | |
| 261 | Q | B | 0.0718 | |
| 262 | I | B | 0.3258 | |
| 263 | V | B | 0.0000 | |
| 264 | S | B | 0.0000 | |
| 265 | L | B | 0.0000 | |
| 266 | Q | B | 0.0000 | |
| 267 | L | B | 0.0000 | |
| 268 | N | B | 0.0000 | |
| 269 | K | B | -1.6179 | |
| 270 | M | B | 0.0000 | |
| 271 | K | B | -1.8834 | |
| 272 | S | B | 0.0000 | |
| 273 | R | B | -1.9952 | |
| 274 | K | B | -2.4452 | |
| 275 | S | B | 0.0000 | |
| 276 | G | B | -1.0012 | |
| 277 | W | B | 0.0000 | |
| 278 | K | B | -1.1466 | |
| 279 | Q | B | 0.0000 | |
| 280 | W | B | -0.5686 | |
| 281 | I | B | -1.2238 | |
| 282 | E | B | -1.8690 | |
| 283 | G | B | -2.0026 | |
| 284 | D | B | -2.9572 | |
| 285 | K | B | -2.1346 | |
| 286 | L | B | 0.0000 | |
| 287 | Y | B | 0.0000 | |
| 288 | L | B | -0.2787 | |
| 289 | E | B | -0.4427 | |
| 290 | L | B | -0.2728 | |
| 291 | T | B | -0.1326 | |
| 292 | S | B | 0.1192 | |
| 293 | I | B | 1.1257 | |
| 294 | D | B | -0.2641 | |
| 295 | E | B | -0.0162 | |
| 296 | V | B | 0.4277 | |
| 297 | S | B | -0.3548 | |
| 298 | R | B | -0.6498 | |
| 299 | Q | B | -0.6539 | |
| 300 | V | B | 0.0000 | |
| 301 | F | B | 0.0000 | |
| 302 | K | B | -1.8687 | |
| 303 | K | B | -2.5992 | |
| 304 | K | B | -2.5108 | |
| 1 | S | C | -1.5283 | |
| 2 | T | C | 0.0000 | |
| 3 | R | C | -3.0138 | |
| 4 | D | C | -3.5514 | |
| 5 | Q | C | -2.9267 | |
| 6 | N | C | -3.1157 | |
| 7 | G | C | -1.9733 | |
| 8 | T | C | -1.7031 | |
| 9 | W | C | 0.0000 | |
| 10 | E | C | -1.5287 | |
| 11 | M | C | 0.0000 | |
| 12 | E | C | 0.0000 | |
| 13 | S | C | -0.6504 | |
| 14 | A | C | -0.7276 | |
| 15 | N | C | -1.3803 | |
| 16 | E | C | -1.5475 | |
| 17 | F | C | -0.9121 | |
| 18 | D | C | -1.1001 | |
| 19 | A | C | 0.0000 | |
| 20 | R | C | -1.0633 | |
| 21 | V | C | -0.9058 | |
| 22 | L | C | 0.0000 | |
| 23 | K | C | -1.8790 | |
| 24 | T | C | 0.0000 | |
| 25 | D | C | -2.6568 | |
| 26 | V | C | -1.7533 | |
| 27 | N | C | -2.5510 | |
| 28 | K | C | -2.9403 | |
| 29 | Q | C | -3.1707 | |
| 30 | F | C | 0.0000 | |
| 31 | E | C | -2.1536 | |
| 32 | M | C | 0.0000 | |
| 33 | G | C | 0.0000 | |
| 34 | A | C | -0.3134 | |
| 35 | A | C | -0.0634 | |
| 36 | P | C | -0.2375 | |
| 37 | T | C | -0.1684 | |
| 38 | G | C | -0.6966 | |
| 39 | D | C | -1.1891 | |
| 40 | A | C | -1.1151 | |
| 41 | D | C | -1.9409 | |
| 42 | L | C | -0.8351 | |
| 43 | T | C | -0.6206 | |
| 44 | T | C | -0.5796 | |
| 45 | A | C | -0.5500 | |
| 46 | P | C | 0.0000 | |
| 47 | T | C | -0.3879 | |
| 48 | P | C | -0.5823 | |
| 49 | A | C | -0.9510 | |
| 50 | S | C | -1.6830 | |
| 51 | R | C | -2.2100 | |
| 52 | E | C | -3.0010 | |
| 53 | N | C | 0.0000 | |
| 54 | P | C | -0.8671 | |
| 55 | A | C | 0.0000 | |
| 56 | Y | C | -0.8308 | |
| 57 | G | C | -0.9962 | |
| 58 | K | C | -1.1383 | |
| 59 | H | C | -1.3170 | |
| 60 | M | C | 0.0000 | |
| 61 | Q | C | 0.0000 | |
| 62 | D | C | -0.7280 | |
| 63 | A | C | 0.0000 | |
| 64 | E | C | -0.9392 | |
| 65 | L | C | -0.4558 | |
| 66 | T | C | -0.5780 | |
| 67 | Q | C | -0.5264 | |
| 68 | T | C | -0.5539 | |
| 69 | K | C | 0.0000 | |
| 70 | V | C | -0.8483 | |
| 71 | I | C | 0.0000 | |
| 72 | D | C | -1.9803 | |
| 73 | Q | C | 0.0000 | |
| 74 | D | C | -3.6777 | |
| 75 | G | C | -3.2239 | |
| 76 | D | C | -2.7436 | |
| 77 | N | C | -2.6643 | |
| 78 | F | C | 0.0000 | |
| 79 | K | C | -2.8086 | |
| 80 | T | C | 0.0000 | |
| 81 | K | C | -2.3030 | |
| 82 | T | C | 0.0000 | |
| 83 | T | C | -1.2137 | |
| 84 | S | C | 0.0000 | |
| 85 | T | C | 0.0000 | |
| 86 | S | C | 0.0000 | |
| 87 | G | C | 0.0000 | |
| 88 | Y | C | -0.1773 | |
| 89 | L | C | 0.0000 | |
| 90 | K | C | 0.0000 | |
| 91 | G | C | 0.0000 | |
| 92 | N | C | -0.4539 | |
| 93 | S | C | 0.0000 | |
| 94 | A | C | 0.0000 | |
| 95 | A | C | 0.0000 | |
| 96 | F | C | 0.0000 | |
| 97 | N | C | 0.0000 | |
| 98 | L | C | 0.0000 | |
| 99 | V | C | 0.0000 | |
| 100 | G | C | 0.0000 | |
| 101 | L | C | 0.0000 | |
| 102 | F | C | 0.0000 | |
| 103 | G | C | 0.0000 | |
| 104 | R | C | 0.0000 | |
| 105 | D | C | -1.1765 | |
| 106 | E | C | -1.1598 | |
| 107 | T | C | -0.8073 | |
| 108 | A | C | -0.2152 | |
| 109 | V | C | 0.1644 | |
| 110 | A | C | -0.2487 | |
| 111 | A | C | -0.6264 | |
| 112 | D | C | -1.6615 | |
| 113 | D | C | 0.0000 | |
| 114 | I | C | 0.0000 | |
| 115 | P | C | 0.0000 | |
| 116 | N | C | 0.0000 | |
| 117 | V | C | 0.0000 | |
| 118 | S | C | -0.1151 | |
| 119 | L | C | 0.0000 | |
| 120 | S | C | -0.2280 | |
| 121 | Q | C | -0.2574 | |
| 122 | A | C | 0.0000 | |
| 123 | V | C | 0.0000 | |
| 124 | V | C | 0.0000 | |
| 125 | E | C | 0.0000 | |
| 126 | L | C | 0.0000 | |
| 127 | Y | C | 0.0000 | |
| 128 | T | C | 0.0000 | |
| 129 | D | C | -1.4635 | |
| 130 | T | C | -1.0148 | |
| 131 | A | C | -1.0012 | |
| 132 | N | C | -1.8218 | |
| 133 | Y | C | 0.0000 | |
| 134 | D | C | -2.7551 | |
| 135 | V | C | 0.0000 | |
| 136 | D | C | -3.1204 | |
| 137 | F | C | 0.0000 | |
| 138 | T | C | -1.8359 | |
| 139 | V | C | -1.2386 | |
| 140 | G | C | -1.5037 | |
| 141 | T | C | -1.7526 | |
| 142 | E | C | -3.0321 | |
| 143 | F | C | 0.0000 | |
| 144 | D | C | -2.0894 | |
| 145 | E | C | 0.0000 | |
| 146 | Y | C | 0.1456 | |
| 147 | T | C | 0.0000 | |
| 148 | S | C | -0.7626 | |
| 149 | P | C | 0.0000 | |
| 150 | K | C | -1.9365 | |
| 151 | V | C | 0.0000 | |
| 152 | E | C | -2.2642 | |
| 153 | E | C | 0.0000 | |
| 154 | L | C | 0.0000 | |
| 155 | N | C | 0.0000 | |
| 156 | V | C | 0.0000 | |
| 157 | L | C | 0.0000 | |
| 158 | C | C | 0.0000 | |
| 159 | N | C | 0.0000 | |
| 160 | A | C | 0.0000 | |
| 161 | A | C | 0.0000 | |
| 162 | E | C | 0.0000 | |
| 163 | F | C | 0.0000 | |
| 164 | T | C | 0.0000 | |
| 165 | I | C | -1.1226 | |
| 166 | N | C | -2.3830 | |
| 167 | K | C | -3.2307 | |
| 168 | P | C | 0.0000 | |
| 169 | K | C | -3.1002 | |
| 170 | G | C | 0.0000 | |
| 171 | Y | C | 0.0000 | |
| 172 | V | C | -0.9880 | |
| 173 | G | C | -0.9922 | |
| 174 | Q | C | -1.3108 | |
| 175 | E | C | -2.2111 | |
| 176 | F | C | -1.4380 | |
| 177 | P | C | -0.9216 | |
| 178 | L | C | -0.7852 | |
| 179 | N | C | -1.2488 | |
| 180 | I | C | 0.2157 | |
| 181 | K | C | -0.3671 | |
| 182 | A | C | 0.0000 | |
| 183 | G | C | -0.2458 | |
| 184 | T | C | 0.0000 | |
| 185 | V | C | 1.3444 | |
| 186 | S | C | 0.4796 | |
| 187 | A | C | -0.5393 | |
| 188 | T | C | -1.4039 | |
| 189 | D | C | -2.4172 | |
| 190 | T | C | -2.1541 | |
| 191 | K | C | -2.6801 | |
| 192 | D | C | -2.6099 | |
| 193 | A | C | 0.0000 | |
| 194 | S | C | -1.9939 | |
| 195 | I | C | 0.0000 | |
| 196 | D | C | -1.3548 | |
| 197 | Y | C | 0.0000 | |
| 198 | H | C | -0.7116 | |
| 199 | E | C | 0.0000 | |
| 200 | W | C | -1.2437 | |
| 201 | K | C | 0.0000 | |
| 202 | A | C | -2.1442 | |
| 203 | D | C | -2.7206 | |
| 204 | V | C | 0.0000 | |
| 205 | T | C | -1.2718 | |
| 206 | W | C | -1.4989 | |
| 207 | E | C | -2.1081 | |
| 208 | G | C | -1.7727 | |
| 209 | D | C | -1.9639 | |
| 210 | V | C | -0.8841 | |
| 211 | L | C | 0.0000 | |
| 212 | V | C | -0.8666 | |
| 213 | S | C | 0.0000 | |
| 214 | D | C | -1.9694 | |
| 215 | Q | C | 0.0000 | |
| 216 | K | C | -1.9459 | |
| 217 | A | C | 0.0000 | |
| 218 | S | C | 0.0000 | |
| 219 | F | C | 0.0000 | |
| 220 | D | C | -1.9621 | |
| 221 | A | C | 0.0000 | |
| 222 | D | C | -2.0723 | |
| 223 | T | C | -1.0561 | |
| 224 | I | C | 0.0000 | |
| 225 | R | C | 0.0000 | |
| 226 | I | C | 0.0000 | |
| 227 | A | C | -0.4071 | |
| 228 | Q | C | 0.0000 | |
| 229 | P | C | 0.0342 | |
| 230 | K | C | -0.2095 | |
| 231 | L | C | 0.0501 | |
| 232 | E | C | -0.8684 | |
| 233 | T | C | -0.7148 | |
| 234 | S | C | -0.5388 | |
| 235 | I | C | -0.2641 | |
| 236 | L | C | 0.0000 | |
| 237 | K | C | -1.0228 | |
| 238 | M | C | 0.0000 | |
| 239 | T | C | -0.2420 | |
| 240 | T | C | -0.0129 | |
| 241 | W | C | 0.0210 | |
| 242 | N | C | 0.0000 | |
| 243 | P | C | 0.0000 | |
| 244 | T | C | 0.0000 | |
| 245 | I | C | 0.0000 | |
| 246 | S | C | 0.0000 | |
| 247 | G | C | -0.5491 | |
| 248 | S | C | -1.0141 | |
| 249 | G | C | -0.8208 | |
| 250 | I | C | -0.2501 | |
| 251 | D | C | 0.0000 | |
| 252 | V | C | -0.3580 | |
| 253 | D | C | -1.4578 | |
| 254 | T | C | -1.2033 | |
| 255 | K | C | -1.3124 | |
| 256 | I | C | 0.0000 | |
| 257 | T | C | 0.0000 | |
| 258 | D | C | -0.5043 | |
| 259 | T | C | 0.0000 | |
| 260 | L | C | 0.0000 | |
| 261 | Q | C | 0.0582 | |
| 262 | I | C | 0.3525 | |
| 263 | V | C | 0.0000 | |
| 264 | S | C | 0.0000 | |
| 265 | L | C | 0.0000 | |
| 266 | Q | C | 0.0000 | |
| 267 | L | C | 0.0000 | |
| 268 | N | C | 0.0000 | |
| 269 | K | C | -2.0973 | |
| 270 | M | C | 0.0000 | |
| 271 | K | C | -2.2660 | |
| 272 | S | C | 0.0000 | |
| 273 | R | C | -2.1203 | |
| 274 | K | C | -2.2882 | |
| 275 | S | C | 0.0000 | |
| 276 | G | C | -0.7955 | |
| 277 | W | C | 0.0000 | |
| 278 | K | C | -0.7185 | |
| 279 | Q | C | 0.0000 | |
| 280 | W | C | -0.3522 | |
| 281 | I | C | -1.1448 | |
| 282 | E | C | -1.8064 | |
| 283 | G | C | -1.9696 | |
| 284 | D | C | -2.9103 | |
| 285 | K | C | -2.1089 | |
| 286 | L | C | 0.0000 | |
| 287 | Y | C | 0.0000 | |
| 288 | L | C | -0.0535 | |
| 289 | E | C | 0.0000 | |
| 290 | L | C | 0.0000 | |
| 291 | T | C | -0.0702 | |
| 292 | S | C | 0.1063 | |
| 293 | I | C | 1.0985 | |
| 294 | D | C | -0.3673 | |
| 295 | E | C | -0.1531 | |
| 296 | V | C | 0.2971 | |
| 297 | S | C | 0.0000 | |
| 298 | R | C | -0.5191 | |
| 299 | Q | C | -0.5324 | |
| 300 | V | C | 0.0000 | |
| 301 | F | C | 0.0000 | |
| 302 | K | C | -1.8750 | |
| 303 | K | C | -2.5637 | |
| 304 | K | C | -2.5300 |
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