| Chain sequence(s) |
A: MELPILKANAITTILAAVTFCFASSQNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKENKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAANNRARRELPRFMNYTLNNTKKTNVTLSKKRKRRFLGFLLGVGSAIASGIAVSKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVQIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAFIRKSDELLH
C: MELPILKANAITTILAAVTFCFASSQNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKENKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAANNRARRELPRFMNYTLNNTKKTNVTLSKKRKRRFLGFLLGVGSAIASGIAVSKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVQIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAFIRKSDELLH B: MELPILKANAITTILAAVTFCFASSQNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKENKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAANNRARRELPRFMNYTLNNTKKTNVTLSKKRKRRFLGFLLGVGSAIASGIAVSKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVQIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAFIRKSDELLH input PDB |
| Selected Chain(s) | A,C,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | Yes |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:12)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:12)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:12)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:12)
[INFO] FoldX: Starting FoldX energy minimization (00:00:13)
[INFO] CABS: Running CABS flex simulation (00:43:04)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (10:10:44)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (10:11:21)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (10:11:58)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (10:12:34)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (10:13:11)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (10:13:48)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (10:14:25)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (10:15:02)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (10:15:39)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (10:16:16)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (10:16:52)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (10:17:29)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (10:18:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (10:19:19)
[INFO] Main: Simulation completed successfully. (10:19:51)
|
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 | 0.0814 | |
| 2 | E | A | -1.5312 | |
| 3 | L | A | 0.0000 | |
| 4 | P | A | -1.0903 | |
| 5 | I | A | -1.1424 | |
| 6 | L | A | -1.2656 | |
| 7 | K | A | -2.2050 | |
| 8 | A | A | -1.6189 | |
| 9 | N | A | -1.7847 | |
| 10 | A | A | -0.6921 | |
| 11 | I | A | 1.0368 | |
| 12 | T | A | 0.6304 | |
| 13 | T | A | 0.7719 | |
| 14 | I | A | 1.7879 | |
| 15 | L | A | 0.8542 | |
| 16 | A | A | 0.8242 | |
| 17 | A | A | 0.6205 | |
| 18 | V | A | 0.6243 | |
| 19 | T | A | 0.5662 | |
| 20 | F | A | 0.4138 | |
| 21 | C | A | 0.4895 | |
| 22 | F | A | 0.2792 | |
| 23 | A | A | 0.0636 | |
| 24 | S | A | -0.4691 | |
| 25 | S | A | -0.8555 | |
| 26 | Q | A | -1.1720 | |
| 27 | N | A | -1.8795 | |
| 28 | I | A | 0.0000 | |
| 29 | T | A | -1.1991 | |
| 30 | E | A | 0.0000 | |
| 31 | E | A | 0.1557 | |
| 32 | F | A | 0.0000 | |
| 33 | Y | A | 0.3442 | |
| 34 | Q | A | 0.0000 | |
| 35 | S | A | -0.3865 | |
| 36 | T | A | 0.0000 | |
| 37 | C | A | 0.0000 | |
| 38 | S | A | 0.0000 | |
| 39 | A | A | 0.0000 | |
| 40 | V | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | K | A | -0.8303 | |
| 43 | G | A | -0.6819 | |
| 44 | Y | A | 0.0000 | |
| 45 | L | A | -0.2818 | |
| 46 | S | A | 0.0000 | |
| 47 | A | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | R | A | 0.0000 | |
| 50 | T | A | 0.0000 | |
| 51 | G | A | 0.0000 | |
| 52 | W | A | 0.0000 | |
| 53 | Y | A | 0.0000 | |
| 54 | T | A | 0.0000 | |
| 55 | S | A | 0.0000 | |
| 56 | V | A | 0.0000 | |
| 57 | I | A | 0.0000 | |
| 58 | T | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | E | A | -0.2802 | |
| 61 | L | A | 0.0000 | |
| 62 | S | A | 0.0000 | |
| 63 | N | A | 0.0000 | |
| 64 | I | A | 0.0000 | |
| 65 | K | A | -2.1426 | |
| 66 | E | A | -2.7303 | |
| 67 | N | A | 0.0000 | |
| 68 | K | A | -1.1350 | |
| 69 | C | A | 0.0000 | |
| 70 | N | A | -0.0850 | |
| 71 | G | A | 0.0000 | |
| 72 | T | A | -0.7943 | |
| 73 | D | A | -1.7021 | |
| 74 | A | A | -1.0746 | |
| 75 | K | A | -1.0973 | |
| 76 | V | A | 0.0000 | |
| 77 | K | A | -1.3747 | |
| 78 | L | A | 0.0000 | |
| 79 | I | A | 0.0000 | |
| 80 | K | A | -0.9040 | |
| 81 | Q | A | -1.0149 | |
| 82 | E | A | 0.0000 | |
| 83 | L | A | 0.0000 | |
| 84 | D | A | -1.3620 | |
| 85 | K | A | 0.0000 | |
| 86 | Y | A | 0.0000 | |
| 87 | K | A | -1.2265 | |
| 88 | N | A | -0.7714 | |
| 89 | A | A | 0.0000 | |
| 90 | V | A | 0.0000 | |
| 91 | T | A | -0.2614 | |
| 92 | E | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | Q | A | 0.0628 | |
| 95 | L | A | 0.5243 | |
| 96 | L | A | 0.0000 | |
| 97 | M | A | 0.1249 | |
| 98 | Q | A | -0.1101 | |
| 99 | S | A | -0.0594 | |
| 100 | T | A | -0.2511 | |
| 101 | P | A | -0.4830 | |
| 102 | A | A | -0.7078 | |
| 103 | A | A | -1.2253 | |
| 104 | N | A | -2.3597 | |
| 105 | N | A | -2.9240 | |
| 106 | R | A | -3.0481 | |
| 107 | A | A | -2.5986 | |
| 108 | R | A | -2.8035 | |
| 109 | R | A | -3.0615 | |
| 110 | E | A | -3.0396 | |
| 111 | L | A | -1.9159 | |
| 112 | P | A | -1.3573 | |
| 113 | R | A | -2.0523 | |
| 114 | F | A | -0.8108 | |
| 115 | M | A | 0.0000 | |
| 116 | N | A | -1.1437 | |
| 117 | Y | A | 0.0000 | |
| 118 | T | A | -0.4753 | |
| 119 | L | A | 0.0000 | |
| 120 | N | A | -0.7338 | |
| 121 | N | A | -1.3172 | |
| 122 | T | A | -1.0193 | |
| 123 | K | A | -1.7740 | |
| 124 | K | A | -2.4861 | |
| 125 | T | A | 0.0000 | |
| 126 | N | A | -1.3652 | |
| 127 | V | A | 0.0000 | |
| 128 | T | A | 0.0000 | |
| 129 | L | A | 0.0000 | |
| 130 | S | A | 0.0000 | |
| 131 | K | A | 0.0000 | |
| 132 | K | A | 0.0000 | |
| 133 | R | A | 0.0000 | |
| 134 | K | A | -0.8295 | |
| 135 | R | A | -0.5330 | |
| 136 | R | A | 0.0000 | |
| 137 | F | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | G | A | 0.0000 | |
| 140 | F | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | G | A | -0.1094 | |
| 144 | V | A | 0.0091 | |
| 145 | G | A | -0.2569 | |
| 146 | S | A | -0.3348 | |
| 147 | A | A | 0.0720 | |
| 148 | I | A | 0.3003 | |
| 149 | A | A | 0.0000 | |
| 150 | S | A | 0.0000 | |
| 151 | G | A | 0.0000 | |
| 152 | I | A | 0.4788 | |
| 153 | A | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | S | A | -0.0278 | |
| 156 | K | A | -0.4163 | |
| 157 | V | A | -0.0764 | |
| 158 | L | A | 0.0000 | |
| 159 | H | A | -0.5483 | |
| 160 | L | A | -0.5792 | |
| 161 | E | A | -1.4587 | |
| 162 | G | A | -1.6547 | |
| 163 | E | A | -1.7202 | |
| 164 | V | A | 0.0000 | |
| 165 | N | A | -2.4875 | |
| 166 | K | A | -2.3240 | |
| 167 | I | A | 0.0000 | |
| 168 | K | A | -1.0612 | |
| 169 | S | A | -0.9521 | |
| 170 | A | A | -0.3943 | |
| 171 | L | A | 0.0000 | |
| 172 | L | A | 0.5894 | |
| 173 | S | A | -0.1298 | |
| 174 | T | A | -0.6041 | |
| 175 | N | A | -1.5648 | |
| 176 | K | A | -1.7632 | |
| 177 | A | A | -0.0077 | |
| 178 | V | A | 1.4297 | |
| 179 | V | A | 0.0000 | |
| 180 | S | A | 0.0173 | |
| 181 | L | A | -0.1366 | |
| 182 | S | A | -0.3872 | |
| 183 | N | A | 0.0000 | |
| 184 | G | A | -1.2393 | |
| 185 | V | A | 0.0000 | |
| 186 | S | A | 0.3178 | |
| 187 | V | A | 0.0000 | |
| 188 | L | A | 0.3602 | |
| 189 | T | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | K | A | 0.0000 | |
| 192 | V | A | -0.1243 | |
| 193 | L | A | 0.0000 | |
| 194 | D | A | -0.3831 | |
| 195 | L | A | 0.0000 | |
| 196 | K | A | -0.9299 | |
| 197 | N | A | -1.2065 | |
| 198 | Y | A | -0.6777 | |
| 199 | I | A | 0.0000 | |
| 200 | D | A | -1.8599 | |
| 201 | K | A | -1.6330 | |
| 202 | Q | A | -1.0657 | |
| 203 | L | A | 0.0000 | |
| 204 | L | A | -1.2012 | |
| 205 | P | A | -1.3933 | |
| 206 | I | A | -1.0470 | |
| 207 | V | A | 0.0000 | |
| 208 | N | A | -1.9541 | |
| 209 | K | A | -2.4846 | |
| 210 | Q | A | -1.9783 | |
| 211 | S | A | -1.3338 | |
| 212 | C | A | 0.0000 | |
| 213 | S | A | -1.2224 | |
| 214 | I | A | 0.0000 | |
| 215 | S | A | -0.5303 | |
| 216 | N | A | -0.4771 | |
| 217 | I | A | 0.0000 | |
| 218 | E | A | 0.0000 | |
| 219 | T | A | 0.0000 | |
| 220 | V | A | 0.0000 | |
| 221 | I | A | 0.0000 | |
| 222 | E | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | Q | A | -0.3395 | |
| 225 | Q | A | -0.3989 | |
| 226 | K | A | 0.0000 | |
| 227 | N | A | 0.0000 | |
| 228 | N | A | -0.6602 | |
| 229 | R | A | -0.5588 | |
| 230 | L | A | 0.0000 | |
| 231 | L | A | -0.4110 | |
| 232 | E | A | -0.5973 | |
| 233 | I | A | 0.0000 | |
| 234 | T | A | 0.0000 | |
| 235 | R | A | -0.5387 | |
| 236 | E | A | -0.3915 | |
| 237 | F | A | 0.0000 | |
| 238 | S | A | 0.0000 | |
| 239 | V | A | 0.0057 | |
| 240 | N | A | -0.1258 | |
| 241 | A | A | 0.1627 | |
| 242 | G | A | 0.0000 | |
| 243 | V | A | 0.7584 | |
| 244 | T | A | 0.0000 | |
| 245 | T | A | 0.1191 | |
| 246 | P | A | 0.0082 | |
| 247 | V | A | 0.0000 | |
| 248 | S | A | 0.0000 | |
| 249 | T | A | 0.0000 | |
| 250 | Y | A | 0.0000 | |
| 251 | M | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | T | A | -0.1341 | |
| 254 | N | A | 0.0000 | |
| 255 | S | A | -0.3091 | |
| 256 | E | A | -0.2971 | |
| 257 | L | A | 0.0000 | |
| 258 | L | A | -0.2134 | |
| 259 | S | A | -0.8165 | |
| 260 | L | A | -0.7723 | |
| 261 | I | A | 0.0000 | |
| 262 | N | A | -2.5729 | |
| 263 | D | A | -2.6054 | |
| 264 | M | A | 0.0000 | |
| 265 | P | A | -1.2342 | |
| 266 | I | A | 0.0000 | |
| 267 | T | A | -1.6814 | |
| 268 | N | A | -2.6449 | |
| 269 | D | A | -2.3151 | |
| 270 | Q | A | 0.0000 | |
| 271 | K | A | -2.3701 | |
| 272 | K | A | -2.6678 | |
| 273 | L | A | 0.0000 | |
| 274 | M | A | 0.0000 | |
| 275 | S | A | -0.8606 | |
| 276 | N | A | -0.5031 | |
| 277 | N | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | Q | A | 0.0000 | |
| 280 | I | A | 0.0000 | |
| 281 | V | A | 0.0000 | |
| 282 | R | A | 0.0000 | |
| 283 | Q | A | -0.2830 | |
| 284 | Q | A | -0.2080 | |
| 285 | S | A | 0.0000 | |
| 286 | Y | A | 0.4398 | |
| 287 | S | A | 0.0000 | |
| 288 | I | A | 0.0000 | |
| 289 | M | A | 0.2829 | |
| 290 | S | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | I | A | 0.0000 | |
| 293 | K | A | 0.0000 | |
| 294 | E | A | -0.3082 | |
| 295 | E | A | -0.1662 | |
| 296 | V | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | Y | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | V | A | 0.0000 | |
| 302 | Q | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | P | A | 0.0000 | |
| 305 | L | A | 0.0000 | |
| 306 | Y | A | 0.0000 | |
| 307 | G | A | 0.0000 | |
| 308 | V | A | 0.0000 | |
| 309 | I | A | 0.0000 | |
| 310 | D | A | -1.4425 | |
| 311 | T | A | 0.0000 | |
| 312 | P | A | -0.5527 | |
| 313 | C | A | 0.0000 | |
| 314 | W | A | -0.2231 | |
| 315 | K | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | H | A | 0.0000 | |
| 318 | T | A | 0.0000 | |
| 319 | S | A | 0.0000 | |
| 320 | P | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | C | A | 0.0000 | |
| 323 | T | A | 0.0000 | |
| 324 | T | A | -0.8025 | |
| 325 | N | A | -1.1091 | |
| 326 | T | A | -1.2208 | |
| 327 | K | A | -1.9465 | |
| 328 | E | A | 0.0000 | |
| 329 | G | A | 0.0000 | |
| 330 | S | A | -0.7894 | |
| 331 | N | A | 0.0000 | |
| 332 | I | A | -0.2103 | |
| 333 | C | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | T | A | 0.0000 | |
| 336 | R | A | 0.0000 | |
| 337 | T | A | 0.0000 | |
| 338 | D | A | 0.0000 | |
| 339 | R | A | 0.0000 | |
| 340 | G | A | 0.0000 | |
| 341 | W | A | 0.0000 | |
| 342 | Y | A | 0.0000 | |
| 343 | C | A | 0.0000 | |
| 344 | D | A | -0.9787 | |
| 345 | N | A | -0.8937 | |
| 346 | A | A | -0.6816 | |
| 347 | G | A | -0.9334 | |
| 348 | S | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | S | A | 0.0000 | |
| 351 | F | A | 0.0000 | |
| 352 | F | A | 0.0000 | |
| 353 | P | A | 0.0000 | |
| 354 | Q | A | -0.8594 | |
| 355 | A | A | -0.8663 | |
| 356 | E | A | -1.6209 | |
| 357 | T | A | -0.9621 | |
| 358 | C | A | 0.0000 | |
| 359 | K | A | -0.4690 | |
| 360 | V | A | 0.2726 | |
| 361 | Q | A | 0.0226 | |
| 362 | S | A | -0.1866 | |
| 363 | N | A | 0.0000 | |
| 364 | R | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | F | A | 0.0000 | |
| 367 | C | A | 0.0000 | |
| 368 | D | A | 0.0000 | |
| 369 | T | A | 0.0000 | |
| 370 | M | A | -0.0108 | |
| 371 | N | A | -0.2369 | |
| 372 | S | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | T | A | 0.0000 | |
| 375 | L | A | 0.0000 | |
| 376 | P | A | -0.9001 | |
| 377 | S | A | -0.8386 | |
| 378 | E | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | N | A | -0.9308 | |
| 381 | L | A | -0.1660 | |
| 382 | C | A | 0.0000 | |
| 383 | N | A | 0.3457 | |
| 384 | V | A | 1.5233 | |
| 385 | D | A | 0.0000 | |
| 386 | I | A | 1.2104 | |
| 387 | F | A | 1.2341 | |
| 388 | N | A | 0.4044 | |
| 389 | P | A | -0.3136 | |
| 390 | K | A | -1.6084 | |
| 391 | Y | A | 0.0000 | |
| 392 | D | A | 0.0000 | |
| 393 | C | A | 0.0000 | |
| 394 | K | A | 0.0000 | |
| 395 | I | A | 0.0000 | |
| 396 | M | A | 0.0000 | |
| 397 | T | A | 0.0000 | |
| 398 | S | A | 0.0000 | |
| 399 | K | A | 0.0000 | |
| 400 | T | A | 0.0000 | |
| 401 | D | A | 0.0000 | |
| 402 | V | A | 0.0000 | |
| 403 | S | A | 0.0000 | |
| 404 | S | A | 0.0000 | |
| 405 | S | A | 0.0000 | |
| 406 | V | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | T | A | 0.0000 | |
| 409 | S | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | G | A | 0.0000 | |
| 412 | A | A | 0.0000 | |
| 413 | I | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | S | A | 0.0000 | |
| 416 | C | A | 0.0000 | |
| 417 | Y | A | 0.0000 | |
| 418 | G | A | -1.0799 | |
| 419 | K | A | -1.8973 | |
| 420 | T | A | 0.0000 | |
| 421 | K | A | -1.5214 | |
| 422 | C | A | 0.0000 | |
| 423 | T | A | 0.0000 | |
| 424 | A | A | 0.0000 | |
| 425 | S | A | 0.0000 | |
| 426 | N | A | -1.2804 | |
| 427 | K | A | -1.7533 | |
| 428 | N | A | -2.0881 | |
| 429 | R | A | -2.2562 | |
| 430 | G | A | -0.5005 | |
| 431 | I | A | 1.5305 | |
| 432 | I | A | 1.7202 | |
| 433 | K | A | 0.1425 | |
| 434 | T | A | 0.0677 | |
| 435 | F | A | -0.4101 | |
| 436 | S | A | -0.8661 | |
| 437 | N | A | -1.0835 | |
| 438 | G | A | -0.8159 | |
| 439 | C | A | 0.0000 | |
| 440 | D | A | -0.8813 | |
| 441 | Y | A | 0.0000 | |
| 442 | V | A | 0.0000 | |
| 443 | S | A | -1.3336 | |
| 444 | N | A | -2.0017 | |
| 445 | K | A | -1.4855 | |
| 446 | G | A | -0.6778 | |
| 447 | V | A | 0.0000 | |
| 448 | D | A | -1.2047 | |
| 449 | T | A | 0.0000 | |
| 450 | V | A | 0.0000 | |
| 451 | S | A | 0.0000 | |
| 452 | V | A | 0.0000 | |
| 453 | G | A | 0.0000 | |
| 454 | N | A | 0.0000 | |
| 455 | T | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | Y | A | 0.0000 | |
| 458 | Y | A | 0.0000 | |
| 459 | V | A | 0.0000 | |
| 460 | N | A | -0.6814 | |
| 461 | K | A | -1.4986 | |
| 462 | Q | A | -1.8138 | |
| 463 | E | A | -2.9788 | |
| 464 | G | A | -2.5313 | |
| 465 | K | A | -2.4342 | |
| 466 | S | A | -0.5070 | |
| 467 | L | A | 1.3552 | |
| 468 | Y | A | 1.1550 | |
| 469 | V | A | 0.5204 | |
| 470 | K | A | -1.5358 | |
| 471 | G | A | -1.7750 | |
| 472 | E | A | -2.3672 | |
| 473 | P | A | -1.0064 | |
| 474 | I | A | 0.2555 | |
| 475 | I | A | 0.3181 | |
| 476 | N | A | -0.6438 | |
| 477 | F | A | 0.1866 | |
| 478 | Y | A | 0.3694 | |
| 479 | D | A | -0.0905 | |
| 480 | P | A | 0.5797 | |
| 481 | L | A | 1.2469 | |
| 482 | V | A | 0.6241 | |
| 483 | F | A | 0.0000 | |
| 484 | P | A | 0.0000 | |
| 485 | S | A | 0.0000 | |
| 486 | D | A | 0.0000 | |
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| 488 | F | A | 0.0000 | |
| 489 | D | A | 0.0000 | |
| 490 | A | A | 0.0000 | |
| 491 | S | A | 0.0000 | |
| 492 | I | A | 0.0000 | |
| 493 | S | A | -1.3695 | |
| 494 | Q | A | -1.2726 | |
| 495 | V | A | -0.7228 | |
| 496 | N | A | -1.4455 | |
| 497 | E | A | -2.3788 | |
| 498 | K | A | 0.0000 | |
| 499 | I | A | -0.6540 | |
| 500 | N | A | -1.3663 | |
| 501 | Q | A | -0.6983 | |
| 502 | S | A | 0.0000 | |
| 503 | L | A | 0.5938 | |
| 504 | A | A | -0.0981 | |
| 505 | F | A | -0.1705 | |
| 506 | I | A | -0.1652 | |
| 507 | R | A | -2.1577 | |
| 508 | K | A | -1.5481 | |
| 509 | S | A | -1.2800 | |
| 510 | D | A | -2.6587 | |
| 511 | E | A | -2.5068 | |
| 512 | L | A | -0.7297 | |
| 513 | L | A | 0.2333 | |
| 514 | H | A | -0.8458 | |
| 1 | M | B | 0.4907 | |
| 2 | E | B | -0.7254 | |
| 3 | L | B | 1.2099 | |
| 4 | P | B | 0.0000 | |
| 5 | I | B | 2.2939 | |
| 6 | L | B | 1.5600 | |
| 7 | K | B | -0.0503 | |
| 8 | A | B | 0.0000 | |
| 9 | N | B | 0.0000 | |
| 10 | A | B | -0.5448 | |
| 11 | I | B | 0.0000 | |
| 12 | T | B | -0.0017 | |
| 13 | T | B | 0.1128 | |
| 14 | I | B | 0.0000 | |
| 15 | L | B | 1.2258 | |
| 16 | A | B | 0.7357 | |
| 17 | A | B | 0.4181 | |
| 18 | V | B | 0.4647 | |
| 19 | T | B | 0.2362 | |
| 20 | F | B | 0.0000 | |
| 21 | C | B | 0.6338 | |
| 22 | F | B | 0.3623 | |
| 23 | A | B | 0.0955 | |
| 24 | S | B | -0.3035 | |
| 25 | S | B | -0.7718 | |
| 26 | Q | B | -1.0083 | |
| 27 | N | B | -1.1922 | |
| 28 | I | B | 0.0000 | |
| 29 | T | B | -0.9255 | |
| 30 | E | B | 0.0000 | |
| 31 | E | B | 0.4647 | |
| 32 | F | B | 0.7579 | |
| 33 | Y | B | 0.0000 | |
| 34 | Q | B | -1.0049 | |
| 35 | S | B | -1.2013 | |
| 36 | T | B | 0.0000 | |
| 37 | C | B | 0.0000 | |
| 38 | S | B | 0.0000 | |
| 39 | A | B | 0.0000 | |
| 40 | V | B | 0.0000 | |
| 41 | S | B | 0.0000 | |
| 42 | K | B | -0.8148 | |
| 43 | G | B | -0.2006 | |
| 44 | Y | B | -0.2775 | |
| 45 | L | B | 0.0000 | |
| 46 | S | B | 0.0000 | |
| 47 | A | B | 0.0000 | |
| 48 | L | B | 0.0000 | |
| 49 | R | B | -0.2083 | |
| 50 | T | B | 0.0000 | |
| 51 | G | B | 0.0000 | |
| 52 | W | B | 0.0000 | |
| 53 | Y | B | 0.0000 | |
| 54 | T | B | 0.0000 | |
| 55 | S | B | 0.0000 | |
| 56 | V | B | 0.0000 | |
| 57 | I | B | 0.0000 | |
| 58 | T | B | -0.4174 | |
| 59 | I | B | 0.0000 | |
| 60 | E | B | -1.1965 | |
| 61 | L | B | 0.0000 | |
| 62 | S | B | -1.4352 | |
| 63 | N | B | 0.0000 | |
| 64 | I | B | 0.0000 | |
| 65 | K | B | -2.4513 | |
| 66 | E | B | -2.2266 | |
| 67 | N | B | -2.3306 | |
| 68 | K | B | -1.8430 | |
| 69 | C | B | -1.4404 | |
| 70 | N | B | -1.8897 | |
| 71 | G | B | -1.0620 | |
| 72 | T | B | -0.6066 | |
| 73 | D | B | -0.7514 | |
| 74 | A | B | 0.0000 | |
| 75 | K | B | -0.5078 | |
| 76 | V | B | 0.0000 | |
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| 78 | L | B | 0.0000 | |
| 79 | I | B | 0.0000 | |
| 80 | K | B | 0.0000 | |
| 81 | Q | B | 0.0000 | |
| 82 | E | B | 0.0000 | |
| 83 | L | B | 0.0000 | |
| 84 | D | B | 0.0000 | |
| 85 | K | B | -0.3527 | |
| 86 | Y | B | 0.0000 | |
| 87 | K | B | -1.0330 | |
| 88 | N | B | 0.0000 | |
| 89 | A | B | 0.0000 | |
| 90 | V | B | 0.0000 | |
| 91 | T | B | 0.0000 | |
| 92 | E | B | 0.0000 | |
| 93 | L | B | 0.0000 | |
| 94 | Q | B | 0.1354 | |
| 95 | L | B | 0.0000 | |
| 96 | L | B | 0.0000 | |
| 97 | M | B | 0.0000 | |
| 98 | Q | B | 0.0000 | |
| 99 | S | B | 0.0000 | |
| 100 | T | B | 0.0000 | |
| 101 | P | B | 0.0000 | |
| 102 | A | B | -0.0391 | |
| 103 | A | B | -0.7949 | |
| 104 | N | B | -1.4060 | |
| 105 | N | B | -2.3493 | |
| 106 | R | B | -2.6272 | |
| 107 | A | B | -1.6772 | |
| 108 | R | B | -1.6484 | |
| 109 | R | B | -1.1530 | |
| 110 | E | B | -0.6430 | |
| 111 | L | B | -0.0402 | |
| 112 | P | B | -0.4204 | |
| 113 | R | B | -0.1763 | |
| 114 | F | B | 0.7252 | |
| 115 | M | B | 0.0000 | |
| 116 | N | B | -0.9693 | |
| 117 | Y | B | 0.0000 | |
| 118 | T | B | 0.0000 | |
| 119 | L | B | 0.2555 | |
| 120 | N | B | -0.5400 | |
| 121 | N | B | -1.4966 | |
| 122 | T | B | -2.0818 | |
| 123 | K | B | -2.7272 | |
| 124 | K | B | -2.8347 | |
| 125 | T | B | 0.0000 | |
| 126 | N | B | 0.0000 | |
| 127 | V | B | 0.0000 | |
| 128 | T | B | 0.0000 | |
| 129 | L | B | 0.0000 | |
| 130 | S | B | 0.0000 | |
| 131 | K | B | 0.0000 | |
| 132 | K | B | 0.0000 | |
| 133 | R | B | 0.0000 | |
| 134 | K | B | -0.8771 | |
| 135 | R | B | -1.0258 | |
| 136 | R | B | 0.0000 | |
| 137 | F | B | 0.0000 | |
| 138 | L | B | 0.0000 | |
| 139 | G | B | 0.0000 | |
| 140 | F | B | 0.0000 | |
| 141 | L | B | 0.0000 | |
| 142 | L | B | 0.0000 | |
| 143 | G | B | 0.0000 | |
| 144 | V | B | 0.4035 | |
| 145 | G | B | 0.1596 | |
| 146 | S | B | -0.0061 | |
| 147 | A | B | -0.0110 | |
| 148 | I | B | 0.0000 | |
| 149 | A | B | 0.0700 | |
| 150 | S | B | 0.0000 | |
| 151 | G | B | 0.0000 | |
| 152 | I | B | 0.5341 | |
| 153 | A | B | 0.0000 | |
| 154 | V | B | 0.0000 | |
| 155 | S | B | 0.0000 | |
| 156 | K | B | -0.4520 | |
| 157 | V | B | 0.0000 | |
| 158 | L | B | 0.0000 | |
| 159 | H | B | -0.5036 | |
| 160 | L | B | 0.3003 | |
| 161 | E | B | -1.8381 | |
| 162 | G | B | -1.3222 | |
| 163 | E | B | 0.0000 | |
| 164 | V | B | 0.0000 | |
| 165 | N | B | -2.3576 | |
| 166 | K | B | -1.6643 | |
| 167 | I | B | 0.0000 | |
| 168 | K | B | -1.2189 | |
| 169 | S | B | -0.5261 | |
| 170 | A | B | 0.0000 | |
| 171 | L | B | 0.1791 | |
| 172 | L | B | 1.2778 | |
| 173 | S | B | 0.2813 | |
| 174 | T | B | -0.1935 | |
| 175 | N | B | -0.9070 | |
| 176 | K | B | -1.5495 | |
| 177 | A | B | -0.0130 | |
| 178 | V | B | 1.5991 | |
| 179 | V | B | 0.5665 | |
| 180 | S | B | 0.0234 | |
| 181 | L | B | 0.0000 | |
| 182 | S | B | -0.7898 | |
| 183 | N | B | -1.1387 | |
| 184 | G | B | -1.2725 | |
| 185 | V | B | 0.0000 | |
| 186 | S | B | 0.0188 | |
| 187 | V | B | 0.0000 | |
| 188 | L | B | 0.0000 | |
| 189 | T | B | 0.0000 | |
| 190 | S | B | 0.0000 | |
| 191 | K | B | -1.0993 | |
| 192 | V | B | 0.0000 | |
| 193 | L | B | 0.0000 | |
| 194 | D | B | -1.1905 | |
| 195 | L | B | 0.0000 | |
| 196 | K | B | -1.7859 | |
| 197 | N | B | -2.1773 | |
| 198 | Y | B | 0.0000 | |
| 199 | I | B | -1.6005 | |
| 200 | D | B | -2.6211 | |
| 201 | K | B | -2.2871 | |
| 202 | Q | B | -1.6628 | |
| 203 | L | B | 0.0000 | |
| 204 | L | B | -1.4851 | |
| 205 | P | B | -1.7203 | |
| 206 | I | B | 0.0000 | |
| 207 | V | B | 0.0000 | |
| 208 | N | B | -2.5165 | |
| 209 | K | B | -2.7879 | |
| 210 | Q | B | -2.4462 | |
| 211 | S | B | 0.0000 | |
| 212 | C | B | -0.1490 | |
| 213 | S | B | -0.1854 | |
| 214 | I | B | 0.0000 | |
| 215 | S | B | -0.3070 | |
| 216 | N | B | -0.4682 | |
| 217 | I | B | 0.0000 | |
| 218 | E | B | 0.0000 | |
| 219 | T | B | 0.0000 | |
| 220 | V | B | 0.0000 | |
| 221 | I | B | 0.0000 | |
| 222 | E | B | -0.6840 | |
| 223 | F | B | 0.0000 | |
| 224 | Q | B | -0.5799 | |
| 225 | Q | B | -0.6704 | |
| 226 | K | B | 0.0000 | |
| 227 | N | B | 0.0000 | |
| 228 | N | B | -0.7699 | |
| 229 | R | B | -0.6608 | |
| 230 | L | B | 0.0000 | |
| 231 | L | B | 0.0000 | |
| 232 | E | B | 0.0000 | |
| 233 | I | B | 0.0000 | |
| 234 | T | B | 0.0000 | |
| 235 | R | B | -1.1372 | |
| 236 | E | B | -0.5310 | |
| 237 | F | B | 0.0000 | |
| 238 | S | B | 0.0000 | |
| 239 | V | B | 0.0744 | |
| 240 | N | B | 0.0797 | |
| 241 | A | B | 0.4686 | |
| 242 | G | B | 0.4474 | |
| 243 | V | B | 1.2011 | |
| 244 | T | B | 0.0000 | |
| 245 | T | B | 0.2649 | |
| 246 | P | B | 0.0164 | |
| 247 | V | B | 0.0000 | |
| 248 | S | B | 0.0000 | |
| 249 | T | B | -0.0548 | |
| 250 | Y | B | 0.0274 | |
| 251 | M | B | 0.0000 | |
| 252 | L | B | 0.0000 | |
| 253 | T | B | -0.0387 | |
| 254 | N | B | 0.0000 | |
| 255 | S | B | -0.1821 | |
| 256 | E | B | -0.6313 | |
| 257 | L | B | -0.0786 | |
| 258 | L | B | -0.3160 | |
| 259 | S | B | -0.5682 | |
| 260 | L | B | 0.0000 | |
| 261 | I | B | 0.0000 | |
| 262 | N | B | -1.3932 | |
| 263 | D | B | 0.0000 | |
| 264 | M | B | 0.6156 | |
| 265 | P | B | 0.0829 | |
| 266 | I | B | 0.0000 | |
| 267 | T | B | -1.7295 | |
| 268 | N | B | -2.6931 | |
| 269 | D | B | -3.0790 | |
| 270 | Q | B | 0.0000 | |
| 271 | K | B | -2.1177 | |
| 272 | K | B | -2.8350 | |
| 273 | L | B | -1.4770 | |
| 274 | M | B | 0.0000 | |
| 275 | S | B | -0.9360 | |
| 276 | N | B | -0.6222 | |
| 277 | N | B | 0.0000 | |
| 278 | V | B | 0.0000 | |
| 279 | Q | B | 0.0000 | |
| 280 | I | B | 0.0000 | |
| 281 | V | B | 0.0000 | |
| 282 | R | B | 0.0000 | |
| 283 | Q | B | -0.6024 | |
| 284 | Q | B | -0.4049 | |
| 285 | S | B | 0.0000 | |
| 286 | Y | B | 0.9657 | |
| 287 | S | B | 0.0000 | |
| 288 | I | B | 0.0000 | |
| 289 | M | B | 0.0000 | |
| 290 | S | B | 0.0000 | |
| 291 | I | B | -0.4175 | |
| 292 | I | B | -0.9956 | |
| 293 | K | B | -2.2792 | |
| 294 | E | B | -2.5939 | |
| 295 | E | B | -2.0212 | |
| 296 | V | B | 0.0000 | |
| 297 | L | B | 0.0000 | |
| 298 | A | B | 0.0000 | |
| 299 | Y | B | 0.0000 | |
| 300 | V | B | 0.0000 | |
| 301 | V | B | 0.0000 | |
| 302 | Q | B | 0.0000 | |
| 303 | L | B | 0.2269 | |
| 304 | P | B | 0.0000 | |
| 305 | L | B | 0.0000 | |
| 306 | Y | B | 0.0000 | |
| 307 | G | B | 0.0000 | |
| 308 | V | B | 0.0000 | |
| 309 | I | B | 0.0000 | |
| 310 | D | B | -1.9584 | |
| 311 | T | B | 0.0000 | |
| 312 | P | B | -0.8558 | |
| 313 | C | B | 0.0000 | |
| 314 | W | B | -0.2106 | |
| 315 | K | B | -0.2700 | |
| 316 | L | B | 0.0000 | |
| 317 | H | B | 0.0000 | |
| 318 | T | B | 0.0000 | |
| 319 | S | B | 0.0000 | |
| 320 | P | B | 0.0000 | |
| 321 | L | B | 0.0235 | |
| 322 | C | B | 0.0000 | |
| 323 | T | B | -0.4618 | |
| 324 | T | B | 0.0000 | |
| 325 | N | B | 0.0000 | |
| 326 | T | B | 0.0000 | |
| 327 | K | B | -3.0029 | |
| 328 | E | B | -2.8329 | |
| 329 | G | B | -1.7394 | |
| 330 | S | B | -1.2500 | |
| 331 | N | B | 0.0000 | |
| 332 | I | B | 0.0000 | |
| 333 | C | B | 0.0000 | |
| 334 | L | B | 0.0000 | |
| 335 | T | B | 0.0000 | |
| 336 | R | B | 0.0000 | |
| 337 | T | B | 0.0000 | |
| 338 | D | B | -0.3522 | |
| 339 | R | B | -0.3107 | |
| 340 | G | B | 0.0000 | |
| 341 | W | B | 0.0000 | |
| 342 | Y | B | 0.0000 | |
| 343 | C | B | 0.0000 | |
| 344 | D | B | -0.4509 | |
| 345 | N | B | -0.8856 | |
| 346 | A | B | -1.0227 | |
| 347 | G | B | -0.8852 | |
| 348 | S | B | 0.0000 | |
| 349 | V | B | 0.0000 | |
| 350 | S | B | 0.0000 | |
| 351 | F | B | 0.0000 | |
| 352 | F | B | 0.0000 | |
| 353 | P | B | 0.0000 | |
| 354 | Q | B | 0.0000 | |
| 355 | A | B | 0.0000 | |
| 356 | E | B | -1.7672 | |
| 357 | T | B | -0.9147 | |
| 358 | C | B | 0.0000 | |
| 359 | K | B | -0.2084 | |
| 360 | V | B | 1.0377 | |
| 361 | Q | B | 0.3914 | |
| 362 | S | B | -0.1219 | |
| 363 | N | B | -0.2684 | |
| 364 | R | B | 0.0000 | |
| 365 | V | B | 0.0000 | |
| 366 | F | B | 0.0000 | |
| 367 | C | B | 0.0000 | |
| 368 | D | B | -0.3001 | |
| 369 | T | B | 0.0000 | |
| 370 | M | B | 0.2579 | |
| 371 | N | B | 0.0352 | |
| 372 | S | B | 0.0000 | |
| 373 | L | B | 0.0000 | |
| 374 | T | B | 0.0000 | |
| 375 | L | B | 0.0000 | |
| 376 | P | B | -1.0029 | |
| 377 | S | B | -0.6050 | |
| 378 | E | B | 0.0000 | |
| 379 | V | B | 0.0000 | |
| 380 | N | B | -0.3592 | |
| 381 | L | B | 0.2990 | |
| 382 | C | B | 0.0000 | |
| 383 | N | B | -0.0283 | |
| 384 | V | B | 0.0447 | |
| 385 | D | B | -1.1707 | |
| 386 | I | B | 0.8970 | |
| 387 | F | B | 1.5473 | |
| 388 | N | B | 0.0520 | |
| 389 | P | B | -0.9406 | |
| 390 | K | B | -1.9154 | |
| 391 | Y | B | 0.0000 | |
| 392 | D | B | -0.8236 | |
| 393 | C | B | 0.0000 | |
| 394 | K | B | 0.0000 | |
| 395 | I | B | 0.0000 | |
| 396 | M | B | 0.0000 | |
| 397 | T | B | 0.0000 | |
| 398 | S | B | 0.0000 | |
| 399 | K | B | 0.0000 | |
| 400 | T | B | 0.0000 | |
| 401 | D | B | 0.0000 | |
| 402 | V | B | 0.0000 | |
| 403 | S | B | 0.0000 | |
| 404 | S | B | 0.0000 | |
| 405 | S | B | 0.0000 | |
| 406 | V | B | 0.0000 | |
| 407 | I | B | 0.0000 | |
| 408 | T | B | 0.0000 | |
| 409 | S | B | -0.7295 | |
| 410 | L | B | 0.0000 | |
| 411 | G | B | 0.0000 | |
| 412 | A | B | 0.0000 | |
| 413 | I | B | 0.0000 | |
| 414 | V | B | 0.0000 | |
| 415 | S | B | 0.0000 | |
| 416 | C | B | 0.0000 | |
| 417 | Y | B | -0.6393 | |
| 418 | G | B | -1.0946 | |
| 419 | K | B | -1.6620 | |
| 420 | T | B | 0.0000 | |
| 421 | K | B | -1.0663 | |
| 422 | C | B | 0.0000 | |
| 423 | T | B | 0.0000 | |
| 424 | A | B | 0.0000 | |
| 425 | S | B | 0.0000 | |
| 426 | N | B | -0.8841 | |
| 427 | K | B | -1.4917 | |
| 428 | N | B | -2.3489 | |
| 429 | R | B | -2.1007 | |
| 430 | G | B | -0.5723 | |
| 431 | I | B | 1.4346 | |
| 432 | I | B | 1.7133 | |
| 433 | K | B | -0.2640 | |
| 434 | T | B | -0.1868 | |
| 435 | F | B | -0.1786 | |
| 436 | S | B | -0.5965 | |
| 437 | N | B | -0.6857 | |
| 438 | G | B | -0.4194 | |
| 439 | C | B | -0.2532 | |
| 440 | D | B | -0.2995 | |
| 441 | Y | B | 0.0000 | |
| 442 | V | B | 0.1904 | |
| 443 | S | B | -0.2483 | |
| 444 | N | B | -1.7619 | |
| 445 | K | B | -2.4409 | |
| 446 | G | B | -0.7727 | |
| 447 | V | B | 0.0000 | |
| 448 | D | B | 0.0000 | |
| 449 | T | B | 0.0000 | |
| 450 | V | B | 0.0000 | |
| 451 | S | B | 0.0000 | |
| 452 | V | B | 0.0000 | |
| 453 | G | B | 0.0000 | |
| 454 | N | B | 0.0000 | |
| 455 | T | B | 0.0000 | |
| 456 | L | B | 0.0000 | |
| 457 | Y | B | 0.0000 | |
| 458 | Y | B | 0.0000 | |
| 459 | V | B | 0.0000 | |
| 460 | N | B | 0.0000 | |
| 461 | K | B | -1.1886 | |
| 462 | Q | B | -2.0193 | |
| 463 | E | B | -2.5148 | |
| 464 | G | B | -2.0429 | |
| 465 | K | B | -2.2059 | |
| 466 | S | B | -0.0656 | |
| 467 | L | B | 1.8772 | |
| 468 | Y | B | 1.8143 | |
| 469 | V | B | 0.2199 | |
| 470 | K | B | -1.7548 | |
| 471 | G | B | -1.1972 | |
| 472 | E | B | -0.4137 | |
| 473 | P | B | -0.1582 | |
| 474 | I | B | 0.0000 | |
| 475 | I | B | -0.2739 | |
| 476 | N | B | -0.7817 | |
| 477 | F | B | 0.8186 | |
| 478 | Y | B | 0.0000 | |
| 479 | D | B | -1.5728 | |
| 480 | P | B | -0.8914 | |
| 481 | L | B | -0.4631 | |
| 482 | V | B | 0.0000 | |
| 483 | F | B | 0.0000 | |
| 484 | P | B | 0.0762 | |
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| 486 | D | B | 0.0000 | |
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| 492 | I | B | 0.0000 | |
| 493 | S | B | -0.7576 | |
| 494 | Q | B | 0.0000 | |
| 495 | V | B | 0.0000 | |
| 496 | N | B | -0.7219 | |
| 497 | E | B | -1.1712 | |
| 498 | K | B | -0.7439 | |
| 499 | I | B | 0.0000 | |
| 500 | N | B | -1.3365 | |
| 501 | Q | B | -0.9991 | |
| 502 | S | B | -0.6087 | |
| 503 | L | B | -0.8160 | |
| 504 | A | B | -1.2433 | |
| 505 | F | B | 0.0000 | |
| 506 | I | B | -1.3696 | |
| 507 | R | B | -2.9130 | |
| 508 | K | B | -2.2506 | |
| 509 | S | B | 0.0000 | |
| 510 | D | B | -2.8357 | |
| 511 | E | B | -2.6902 | |
| 512 | L | B | -0.3122 | |
| 513 | L | B | -0.4174 | |
| 514 | H | B | -1.4306 | |
| 1 | M | C | 0.8317 | |
| 2 | E | C | -0.0566 | |
| 3 | L | C | 0.1604 | |
| 4 | P | C | -0.0312 | |
| 5 | I | C | -0.0658 | |
| 6 | L | C | 0.0000 | |
| 7 | K | C | 0.0000 | |
| 8 | A | C | -0.3299 | |
| 9 | N | C | -1.0683 | |
| 10 | A | C | 0.0224 | |
| 11 | I | C | 1.2081 | |
| 12 | T | C | 0.4125 | |
| 13 | T | C | 0.5176 | |
| 14 | I | C | 0.0000 | |
| 15 | L | C | 1.3174 | |
| 16 | A | C | 0.7041 | |
| 17 | A | C | 0.0000 | |
| 18 | V | C | 2.5635 | |
| 19 | T | C | 1.8791 | |
| 20 | F | C | 2.7403 | |
| 21 | C | C | 1.5825 | |
| 22 | F | C | 0.7666 | |
| 23 | A | C | 0.2803 | |
| 24 | S | C | -0.2302 | |
| 25 | S | C | -0.8886 | |
| 26 | Q | C | -1.0094 | |
| 27 | N | C | -2.1256 | |
| 28 | I | C | 0.0000 | |
| 29 | T | C | -1.2063 | |
| 30 | E | C | 0.0000 | |
| 31 | E | C | 0.3075 | |
| 32 | F | C | 0.0000 | |
| 33 | Y | C | 0.0000 | |
| 34 | Q | C | -0.6782 | |
| 35 | S | C | -0.5773 | |
| 36 | T | C | 0.0000 | |
| 37 | C | C | 0.0000 | |
| 38 | S | C | 0.0000 | |
| 39 | A | C | 0.0000 | |
| 40 | V | C | 0.0000 | |
| 41 | S | C | 0.0000 | |
| 42 | K | C | -1.2374 | |
| 43 | G | C | -1.0245 | |
| 44 | Y | C | 0.0000 | |
| 45 | L | C | -0.5465 | |
| 46 | S | C | 0.0000 | |
| 47 | A | C | 0.0000 | |
| 48 | L | C | 0.0000 | |
| 49 | R | C | -0.2942 | |
| 50 | T | C | 0.0000 | |
| 51 | G | C | 0.0624 | |
| 52 | W | C | 0.2372 | |
| 53 | Y | C | 0.0000 | |
| 54 | T | C | 0.0000 | |
| 55 | S | C | 0.0000 | |
| 56 | V | C | 0.0000 | |
| 57 | I | C | 0.0000 | |
| 58 | T | C | 0.0000 | |
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| 60 | E | C | 0.0000 | |
| 61 | L | C | 0.0000 | |
| 62 | S | C | 0.0000 | |
| 63 | N | C | 0.0000 | |
| 64 | I | C | 0.0000 | |
| 65 | K | C | -0.5337 | |
| 66 | E | C | -0.8336 | |
| 67 | N | C | 0.0000 | |
| 68 | K | C | -1.3616 | |
| 69 | C | C | 0.0000 | |
| 70 | N | C | -1.8108 | |
| 71 | G | C | -1.4931 | |
| 72 | T | C | -1.5165 | |
| 73 | D | C | -2.2335 | |
| 74 | A | C | -1.2890 | |
| 75 | K | C | -1.1790 | |
| 76 | V | C | 0.0000 | |
| 77 | K | C | -1.2929 | |
| 78 | L | C | 0.0000 | |
| 79 | I | C | 0.0000 | |
| 80 | K | C | -1.3253 | |
| 81 | Q | C | -0.7606 | |
| 82 | E | C | 0.0000 | |
| 83 | L | C | 0.0000 | |
| 84 | D | C | -0.8441 | |
| 85 | K | C | -0.6744 | |
| 86 | Y | C | 0.0000 | |
| 87 | K | C | 0.0000 | |
| 88 | N | C | -0.2991 | |
| 89 | A | C | 0.0000 | |
| 90 | V | C | 0.0000 | |
| 91 | T | C | 0.2504 | |
| 92 | E | C | 0.0000 | |
| 93 | L | C | 0.0000 | |
| 94 | Q | C | 0.0000 | |
| 95 | L | C | 0.5360 | |
| 96 | L | C | 0.0000 | |
| 97 | M | C | 0.0000 | |
| 98 | Q | C | 0.0000 | |
| 99 | S | C | -0.2099 | |
| 100 | T | C | 0.1959 | |
| 101 | P | C | -0.2040 | |
| 102 | A | C | -0.4980 | |
| 103 | A | C | -0.4076 | |
| 104 | N | C | -1.2631 | |
| 105 | N | C | -1.8552 | |
| 106 | R | C | -1.9099 | |
| 107 | A | C | -1.6229 | |
| 108 | R | C | -2.2517 | |
| 109 | R | C | -3.0626 | |
| 110 | E | C | -2.8163 | |
| 111 | L | C | -1.2719 | |
| 112 | P | C | -1.0485 | |
| 113 | R | C | -0.9779 | |
| 114 | F | C | 0.0026 | |
| 115 | M | C | 0.0000 | |
| 116 | N | C | -0.7454 | |
| 117 | Y | C | 0.1117 | |
| 118 | T | C | -0.1332 | |
| 119 | L | C | -0.1988 | |
| 120 | N | C | -0.3492 | |
| 121 | N | C | -0.7342 | |
| 122 | T | C | -0.9265 | |
| 123 | K | C | -1.6755 | |
| 124 | K | C | -2.3130 | |
| 125 | T | C | 0.0000 | |
| 126 | N | C | -1.6423 | |
| 127 | V | C | 0.0000 | |
| 128 | T | C | 0.0000 | |
| 129 | L | C | 0.0000 | |
| 130 | S | C | 0.0000 | |
| 131 | K | C | 0.0000 | |
| 132 | K | C | 0.0000 | |
| 133 | R | C | 0.0000 | |
| 134 | K | C | -1.0994 | |
| 135 | R | C | -1.1556 | |
| 136 | R | C | 0.0000 | |
| 137 | F | C | 0.0000 | |
| 138 | L | C | 0.0000 | |
| 139 | G | C | 0.0000 | |
| 140 | F | C | 0.0000 | |
| 141 | L | C | 0.0000 | |
| 142 | L | C | 0.0000 | |
| 143 | G | C | 0.0000 | |
| 144 | V | C | 0.0000 | |
| 145 | G | C | -0.3808 | |
| 146 | S | C | -0.3624 | |
| 147 | A | C | -0.0629 | |
| 148 | I | C | 0.0000 | |
| 149 | A | C | 0.2192 | |
| 150 | S | C | 0.0000 | |
| 151 | G | C | 0.0000 | |
| 152 | I | C | 0.8549 | |
| 153 | A | C | 0.0000 | |
| 154 | V | C | 0.0000 | |
| 155 | S | C | 0.1180 | |
| 156 | K | C | -0.3684 | |
| 157 | V | C | 0.0000 | |
| 158 | L | C | 0.0000 | |
| 159 | H | C | -1.1174 | |
| 160 | L | C | 0.0000 | |
| 161 | E | C | -2.3299 | |
| 162 | G | C | -2.2706 | |
| 163 | E | C | -2.0508 | |
| 164 | V | C | 0.0000 | |
| 165 | N | C | -2.2691 | |
| 166 | K | C | -2.3247 | |
| 167 | I | C | 0.0000 | |
| 168 | K | C | -0.9625 | |
| 169 | S | C | -0.6641 | |
| 170 | A | C | -0.4858 | |
| 171 | L | C | 0.0000 | |
| 172 | L | C | 0.5856 | |
| 173 | S | C | -0.1094 | |
| 174 | T | C | -0.6931 | |
| 175 | N | C | -1.7845 | |
| 176 | K | C | -1.7749 | |
| 177 | A | C | -0.1330 | |
| 178 | V | C | 1.4609 | |
| 179 | V | C | 0.0000 | |
| 180 | S | C | -0.2118 | |
| 181 | L | C | 0.0000 | |
| 182 | S | C | -0.7796 | |
| 183 | N | C | -1.0700 | |
| 184 | G | C | -1.2778 | |
| 185 | V | C | 0.0000 | |
| 186 | S | C | 0.2510 | |
| 187 | V | C | 0.0000 | |
| 188 | L | C | 0.8315 | |
| 189 | T | C | 0.0000 | |
| 190 | S | C | -0.6630 | |
| 191 | K | C | -0.8039 | |
| 192 | V | C | 0.0000 | |
| 193 | L | C | -0.0129 | |
| 194 | D | C | -0.6180 | |
| 195 | L | C | 0.0000 | |
| 196 | K | C | -1.4352 | |
| 197 | N | C | -1.4764 | |
| 198 | Y | C | -0.8953 | |
| 199 | I | C | 0.0000 | |
| 200 | D | C | -2.2712 | |
| 201 | K | C | -1.2414 | |
| 202 | Q | C | 0.0000 | |
| 203 | L | C | 0.0000 | |
| 204 | L | C | 0.0000 | |
| 205 | P | C | -1.4810 | |
| 206 | I | C | -1.2081 | |
| 207 | V | C | 0.0000 | |
| 208 | N | C | -1.9633 | |
| 209 | K | C | -2.3513 | |
| 210 | Q | C | -1.7684 | |
| 211 | S | C | -1.6480 | |
| 212 | C | C | 0.0000 | |
| 213 | S | C | -1.2521 | |
| 214 | I | C | 0.0000 | |
| 215 | S | C | -0.4301 | |
| 216 | N | C | -0.5334 | |
| 217 | I | C | 0.0000 | |
| 218 | E | C | -0.3779 | |
| 219 | T | C | 0.0000 | |
| 220 | V | C | 0.0000 | |
| 221 | I | C | 0.0196 | |
| 222 | E | C | 0.0000 | |
| 223 | F | C | 0.0000 | |
| 224 | Q | C | -0.4254 | |
| 225 | Q | C | 0.0000 | |
| 226 | K | C | 0.0000 | |
| 227 | N | C | 0.0000 | |
| 228 | N | C | -1.2938 | |
| 229 | R | C | -0.8311 | |
| 230 | L | C | 0.0000 | |
| 231 | L | C | 0.0000 | |
| 232 | E | C | -0.9222 | |
| 233 | I | C | 0.0000 | |
| 234 | T | C | 0.0000 | |
| 235 | R | C | -0.7154 | |
| 236 | E | C | -0.4864 | |
| 237 | F | C | 0.0000 | |
| 238 | S | C | 0.0000 | |
| 239 | V | C | -0.0215 | |
| 240 | N | C | -0.1217 | |
| 241 | A | C | 0.0804 | |
| 242 | G | C | 0.2543 | |
| 243 | V | C | 0.6299 | |
| 244 | T | C | 0.0000 | |
| 245 | T | C | 0.0430 | |
| 246 | P | C | -0.0713 | |
| 247 | V | C | 0.0000 | |
| 248 | S | C | -0.1611 | |
| 249 | T | C | 0.0000 | |
| 250 | Y | C | -0.0740 | |
| 251 | M | C | 0.0000 | |
| 252 | L | C | 0.0000 | |
| 253 | T | C | 0.0000 | |
| 254 | N | C | 0.0000 | |
| 255 | S | C | 0.0000 | |
| 256 | E | C | -0.0716 | |
| 257 | L | C | 0.0000 | |
| 258 | L | C | 0.0000 | |
| 259 | S | C | -0.6330 | |
| 260 | L | C | -0.9271 | |
| 261 | I | C | 0.0000 | |
| 262 | N | C | -2.3222 | |
| 263 | D | C | -2.3769 | |
| 264 | M | C | 0.0000 | |
| 265 | P | C | -1.2091 | |
| 266 | I | C | 0.0000 | |
| 267 | T | C | -1.0532 | |
| 268 | N | C | -1.7553 | |
| 269 | D | C | 0.0000 | |
| 270 | Q | C | 0.0000 | |
| 271 | K | C | -1.6350 | |
| 272 | K | C | -0.9450 | |
| 273 | L | C | 0.0000 | |
| 274 | M | C | 0.0000 | |
| 275 | S | C | 0.0000 | |
| 276 | N | C | 0.0000 | |
| 277 | N | C | 0.0000 | |
| 278 | V | C | 0.0000 | |
| 279 | Q | C | 0.0000 | |
| 280 | I | C | 0.0000 | |
| 281 | V | C | 0.0000 | |
| 282 | R | C | 0.0000 | |
| 283 | Q | C | -0.4682 | |
| 284 | Q | C | -0.5223 | |
| 285 | S | C | 0.0000 | |
| 286 | Y | C | 0.4766 | |
| 287 | S | C | 0.0000 | |
| 288 | I | C | 0.7326 | |
| 289 | M | C | 0.0000 | |
| 290 | S | C | 0.0000 | |
| 291 | I | C | 0.0000 | |
| 292 | I | C | 0.0000 | |
| 293 | K | C | -1.2185 | |
| 294 | E | C | -1.2560 | |
| 295 | E | C | -1.2781 | |
| 296 | V | C | 0.0000 | |
| 297 | L | C | 0.0000 | |
| 298 | A | C | 0.0000 | |
| 299 | Y | C | 0.0000 | |
| 300 | V | C | 0.0000 | |
| 301 | V | C | 0.0000 | |
| 302 | Q | C | 0.2226 | |
| 303 | L | C | 0.0000 | |
| 304 | P | C | 0.0000 | |
| 305 | L | C | 0.0000 | |
| 306 | Y | C | 0.0000 | |
| 307 | G | C | 0.0000 | |
| 308 | V | C | 0.0000 | |
| 309 | I | C | 0.0000 | |
| 310 | D | C | 0.0000 | |
| 311 | T | C | 0.0000 | |
| 312 | P | C | -0.4192 | |
| 313 | C | C | 0.0000 | |
| 314 | W | C | -0.3867 | |
| 315 | K | C | 0.0000 | |
| 316 | L | C | 0.0000 | |
| 317 | H | C | 0.0000 | |
| 318 | T | C | 0.0000 | |
| 319 | S | C | 0.0000 | |
| 320 | P | C | 0.0000 | |
| 321 | L | C | 0.0000 | |
| 322 | C | C | 0.0044 | |
| 323 | T | C | -0.0571 | |
| 324 | T | C | -0.4740 | |
| 325 | N | C | -0.7696 | |
| 326 | T | C | -0.7864 | |
| 327 | K | C | -1.2914 | |
| 328 | E | C | -2.1309 | |
| 329 | G | C | -1.6531 | |
| 330 | S | C | 0.0000 | |
| 331 | N | C | -0.9063 | |
| 332 | I | C | 0.0000 | |
| 333 | C | C | 0.0000 | |
| 334 | L | C | 0.0000 | |
| 335 | T | C | 0.0000 | |
| 336 | R | C | 0.0000 | |
| 337 | T | C | 0.0000 | |
| 338 | D | C | 0.0000 | |
| 339 | R | C | -0.5100 | |
| 340 | G | C | 0.0000 | |
| 341 | W | C | 0.0000 | |
| 342 | Y | C | 0.0000 | |
| 343 | C | C | 0.0000 | |
| 344 | D | C | -0.6043 | |
| 345 | N | C | -0.7729 | |
| 346 | A | C | -0.5902 | |
| 347 | G | C | -1.0517 | |
| 348 | S | C | 0.0000 | |
| 349 | V | C | 0.0000 | |
| 350 | S | C | 0.0000 | |
| 351 | F | C | 0.0000 | |
| 352 | F | C | 0.0000 | |
| 353 | P | C | 0.0000 | |
| 354 | Q | C | -1.0234 | |
| 355 | A | C | -0.8556 | |
| 356 | E | C | -1.7171 | |
| 357 | T | C | -0.8180 | |
| 358 | C | C | -0.1710 | |
| 359 | K | C | 0.3502 | |
| 360 | V | C | 1.4228 | |
| 361 | Q | C | 0.0000 | |
| 362 | S | C | -0.0270 | |
| 363 | N | C | -0.5040 | |
| 364 | R | C | 0.0000 | |
| 365 | V | C | 0.0000 | |
| 366 | F | C | 0.0000 | |
| 367 | C | C | 0.0000 | |
| 368 | D | C | 0.0000 | |
| 369 | T | C | 0.0000 | |
| 370 | M | C | -0.0779 | |
| 371 | N | C | -0.2080 | |
| 372 | S | C | 0.0000 | |
| 373 | L | C | 0.0000 | |
| 374 | T | C | 0.0000 | |
| 375 | L | C | 0.0000 | |
| 376 | P | C | -0.4529 | |
| 377 | S | C | -0.2944 | |
| 378 | E | C | 0.0000 | |
| 379 | V | C | 0.0000 | |
| 380 | N | C | -0.0153 | |
| 381 | L | C | 0.4323 | |
| 382 | C | C | 0.0000 | |
| 383 | N | C | 0.0000 | |
| 384 | V | C | 0.6948 | |
| 385 | D | C | 0.0770 | |
| 386 | I | C | 1.5675 | |
| 387 | F | C | 0.0000 | |
| 388 | N | C | -0.1557 | |
| 389 | P | C | -0.8097 | |
| 390 | K | C | -1.7127 | |
| 391 | Y | C | -0.4134 | |
| 392 | D | C | 0.0000 | |
| 393 | C | C | 0.0000 | |
| 394 | K | C | 0.0000 | |
| 395 | I | C | 0.0000 | |
| 396 | M | C | 0.0000 | |
| 397 | T | C | 0.0000 | |
| 398 | S | C | 0.0000 | |
| 399 | K | C | 0.0000 | |
| 400 | T | C | 0.0000 | |
| 401 | D | C | 0.0000 | |
| 402 | V | C | 0.0000 | |
| 403 | S | C | 0.0000 | |
| 404 | S | C | 0.0000 | |
| 405 | S | C | 0.0000 | |
| 406 | V | C | 0.0000 | |
| 407 | I | C | 0.0000 | |
| 408 | T | C | -0.3015 | |
| 409 | S | C | -0.2264 | |
| 410 | L | C | 0.0000 | |
| 411 | G | C | 0.0000 | |
| 412 | A | C | 0.0000 | |
| 413 | I | C | 0.0000 | |
| 414 | V | C | 0.0000 | |
| 415 | S | C | 0.0000 | |
| 416 | C | C | 0.0000 | |
| 417 | Y | C | 0.0000 | |
| 418 | G | C | -1.6181 | |
| 419 | K | C | -2.6116 | |
| 420 | T | C | -1.8522 | |
| 421 | K | C | -1.5043 | |
| 422 | C | C | 0.0000 | |
| 423 | T | C | 0.0000 | |
| 424 | A | C | 0.0000 | |
| 425 | S | C | 0.0000 | |
| 426 | N | C | 0.0000 | |
| 427 | K | C | 0.0000 | |
| 428 | N | C | -2.3624 | |
| 429 | R | C | -2.4083 | |
| 430 | G | C | -1.1035 | |
| 431 | I | C | 0.4060 | |
| 432 | I | C | 1.5361 | |
| 433 | K | C | 0.2995 | |
| 434 | T | C | 0.0617 | |
| 435 | F | C | -0.0718 | |
| 436 | S | C | -0.8489 | |
| 437 | N | C | -0.9836 | |
| 438 | G | C | -0.7618 | |
| 439 | C | C | -0.3736 | |
| 440 | D | C | -0.3857 | |
| 441 | Y | C | 0.0000 | |
| 442 | V | C | -0.5361 | |
| 443 | S | C | 0.0000 | |
| 444 | N | C | -2.9516 | |
| 445 | K | C | -2.7197 | |
| 446 | G | C | -1.1511 | |
| 447 | V | C | 0.0000 | |
| 448 | D | C | 0.0000 | |
| 449 | T | C | 0.0000 | |
| 450 | V | C | 0.0000 | |
| 451 | S | C | 0.0000 | |
| 452 | V | C | 0.0000 | |
| 453 | G | C | 0.0000 | |
| 454 | N | C | 0.0000 | |
| 455 | T | C | 0.0000 | |
| 456 | L | C | 0.0000 | |
| 457 | Y | C | 0.0000 | |
| 458 | Y | C | 0.0000 | |
| 459 | V | C | 0.0000 | |
| 460 | N | C | -0.7768 | |
| 461 | K | C | 0.0000 | |
| 462 | Q | C | -2.2644 | |
| 463 | E | C | -1.9714 | |
| 464 | G | C | -2.3047 | |
| 465 | K | C | -2.3482 | |
| 466 | S | C | -0.5376 | |
| 467 | L | C | 1.5330 | |
| 468 | Y | C | 1.5171 | |
| 469 | V | C | 0.2854 | |
| 470 | K | C | -1.4607 | |
| 471 | G | C | -1.2240 | |
| 472 | E | C | 0.0000 | |
| 473 | P | C | -0.1972 | |
| 474 | I | C | 0.0000 | |
| 475 | I | C | -0.1734 | |
| 476 | N | C | -1.1823 | |
| 477 | F | C | -0.4727 | |
| 478 | Y | C | 0.0000 | |
| 479 | D | C | -1.6754 | |
| 480 | P | C | -0.4553 | |
| 481 | L | C | 0.3841 | |
| 482 | V | C | 0.6065 | |
| 483 | F | C | 0.1810 | |
| 484 | P | C | 0.0000 | |
| 485 | S | C | 0.0000 | |
| 486 | D | C | 0.0000 | |
| 487 | E | C | 0.0000 | |
| 488 | F | C | 0.0000 | |
| 489 | D | C | 0.0000 | |
| 490 | A | C | 0.0000 | |
| 491 | S | C | 0.0000 | |
| 492 | I | C | 0.0000 | |
| 493 | S | C | -0.9772 | |
| 494 | Q | C | 0.0000 | |
| 495 | V | C | 0.0000 | |
| 496 | N | C | -1.4515 | |
| 497 | E | C | -1.6753 | |
| 498 | K | C | 0.0000 | |
| 499 | I | C | -0.8951 | |
| 500 | N | C | -1.4325 | |
| 501 | Q | C | -0.6268 | |
| 502 | S | C | 0.0000 | |
| 503 | L | C | -0.2043 | |
| 504 | A | C | -0.7338 | |
| 505 | F | C | -0.2995 | |
| 506 | I | C | -0.6602 | |
| 507 | R | C | -2.4123 | |
| 508 | K | C | -1.5204 | |
| 509 | S | C | -1.5195 | |
| 510 | D | C | -2.4773 | |
| 511 | E | C | -1.8600 | |
| 512 | L | C | 0.0000 | |
| 513 | L | C | 0.3399 | |
| 514 | H | C | -0.9524 |
CABS-flex predictions of flexibility of input structure
In dynamic mode, A4D analysis is performed on the set of models reflecting fluctuations of the input structure (predicted
by CABS-flex method, models are numbered from 0 to 11) and the input model.
Their A4D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A4D score, -0.3632 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A4D Score |
|||
| model_8 | -0.3632 | View | CSV | PDB |
| model_7 | -0.3667 | View | CSV | PDB |
| model_6 | -0.3705 | View | CSV | PDB |
| model_10 | -0.3709 | View | CSV | PDB |
| model_1 | -0.3734 | View | CSV | PDB |
| model_11 | -0.3771 | View | CSV | PDB |
| CABS_average | -0.3781 | View | CSV | PDB |
| model_0 | -0.3798 | View | CSV | PDB |
| model_9 | -0.3826 | View | CSV | PDB |
| model_2 | -0.3838 | View | CSV | PDB |
| model_5 | -0.3856 | View | CSV | PDB |
| model_3 | -0.3911 | View | CSV | PDB |
| model_4 | -0.3921 | View | CSV | PDB |
| input | -0.4913 | View | CSV | PDB |