| Chain sequence(s) |
A: ARLAPQAVLTPPSAASLFLVLVAGDSDDDRRATVCCDVISGIDGPLKAVGFRELAGSLSCVVGVGAQFWDRVSASSKPAHLHPFVPLSGPVHSAPSTPGDLLFHIKAARKDLCFELGRQIVSALGSAATVVDEVHGFRYFDSRDLLGFVDGTENPTDDDAADSALIGDEDPDFRGGSYVIVQKYLHDMSAWNTLSTEEQERVIGRTKLEENVELDDDAQPSNSHVTLNTIVDDDGVEHDILRDNMAFGSLGEAEYGTYFIGYAKDPAVTELMLRRRMFLGEPPGNYDRRVLDFSTAATGTLFFVPSRDVLESL
C: ARLAPQAVLTPPSAASLFLVLVAGDSDDDRATVCDVISGIDDGPLKAVGFRELAGSLSCVVGVGAQFWDRVSASSKPAHLHPFVPLSGPVHSAPSTPGDLLFHIKAARKDLCFELGRQIVSALGSAATVVDEVHGFRYFDSRDLLGFVDGTENPTDDDAADSALIGDEDPDFRGGSYVIVQKYLHDMSAWNTLSTEEQERRVIGRTKLEENVELDDDAQPSNSHVTLNTIVDDDGVEHDILRDNMAFGSLGEAEYGTYFIGYAKDPAVTELMLRRMFLGEPPGNYDRVLDFSTAATGTLFFVPSRDVLESL B: ARLAPQAVLTPPSAASLFLVLVAGDSDDDRATVCCDVISGIDDGPLKAVGFRELAGSLSCVVGVGAQFWDRVSASSKPAHLHPFVPLSGPVHSAPSTPGDLLFHIKAARKDLCFELGRQIVSALGSAATVVDEVHGFRYFDSRDLLGFVDGTENPTDDDAADSALIGDEDPDFRGGSYVIVQKYLHDMSAWNTLSTEEQERVIGRTKLENVELDDDAQPSNSHVTLNTIVDDDGVEHDILRDNMAFGSLGEEAEYGTYFIGYAKDPAVTELMLRRMFLGEPPGNYDRVLDFSTAATGTLFFVPSRDVLESLG input PDB |
| Selected Chain(s) | A,C,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | AY20A,NA246B,HY138A,KW113A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 2.06644 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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] FoldX: Building mutant model (00:06:24)
[INFO] FoldX: Starting FoldX energy minimalization (00:06:37)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:09:42)
[INFO] Main: Simulation completed successfully. (00:09:50)
|
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 | |
| 6 | A | A | -0.4839 | |
| 7 | R | A | -0.5711 | |
| 8 | L | A | 0.0000 | |
| 9 | A | A | -0.9028 | |
| 10 | P | A | 0.0000 | |
| 11 | Q | A | 0.0000 | |
| 12 | A | A | 0.0914 | |
| 13 | V | A | 0.0000 | |
| 14 | L | A | 0.0948 | |
| 15 | T | A | -0.1189 | |
| 16 | P | A | -0.5056 | |
| 17 | P | A | -0.6010 | |
| 18 | S | A | -0.5211 | |
| 19 | A | A | -0.7479 | |
| 20 | A | A | 0.0000 | mutated: AY20A |
| 21 | S | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | F | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | V | A | 0.0000 | |
| 26 | L | A | 0.0000 | |
| 27 | V | A | 0.3787 | |
| 28 | A | A | -0.4640 | |
| 29 | G | A | -1.7098 | |
| 30 | D | A | -2.7458 | |
| 31 | S | A | -2.7127 | |
| 32 | D | A | -3.4649 | |
| 33 | D | A | -3.2911 | |
| 34 | D | A | -2.7766 | |
| 35 | R | A | -2.6130 | |
| 36 | A | A | -1.8514 | |
| 37 | T | A | -1.7102 | |
| 38 | V | A | 0.0000 | |
| 39 | C | A | -1.3142 | |
| 40 | D | A | -2.1001 | |
| 41 | V | A | 0.0000 | |
| 42 | I | A | 0.0000 | |
| 43 | S | A | -1.7218 | |
| 44 | G | A | -1.3610 | |
| 45 | I | A | 0.0000 | |
| 46 | D | A | -1.2256 | |
| 47 | G | A | -0.8046 | |
| 48 | P | A | -0.3870 | |
| 49 | L | A | 0.0000 | |
| 50 | K | A | -0.7143 | |
| 51 | A | A | 0.0000 | |
| 52 | V | A | 0.0000 | |
| 53 | G | A | 0.0000 | |
| 54 | F | A | 0.0000 | |
| 55 | R | A | 0.0000 | |
| 56 | E | A | 0.0000 | |
| 57 | L | A | 0.5509 | |
| 58 | A | A | 0.1607 | |
| 59 | G | A | -0.0373 | |
| 60 | S | A | -0.1851 | |
| 61 | L | A | 0.0000 | |
| 62 | S | A | 0.0000 | |
| 63 | C | A | 0.0000 | |
| 64 | V | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | A | A | -1.5230 | |
| 70 | Q | A | -1.9753 | |
| 71 | F | A | 0.0000 | |
| 72 | W | A | 0.0000 | |
| 73 | D | A | -2.6206 | |
| 74 | R | A | -2.0960 | |
| 75 | V | A | -0.9828 | |
| 76 | S | A | -0.9391 | |
| 77 | A | A | -1.2765 | |
| 78 | S | A | -0.8315 | |
| 79 | S | A | -1.3204 | |
| 80 | K | A | -2.0739 | |
| 81 | P | A | 0.0000 | |
| 82 | A | A | -1.1671 | |
| 83 | H | A | -0.9961 | |
| 84 | L | A | 0.0000 | |
| 85 | H | A | -0.8723 | |
| 86 | P | A | -0.6815 | |
| 87 | F | A | 0.0000 | |
| 88 | V | A | 0.0447 | |
| 89 | P | A | -0.3289 | |
| 90 | L | A | 0.0000 | |
| 91 | S | A | -0.1804 | |
| 92 | G | A | 0.0610 | |
| 93 | P | A | 0.4051 | |
| 94 | V | A | 1.4188 | |
| 95 | H | A | 0.3166 | |
| 96 | S | A | -0.1043 | |
| 97 | A | A | 0.0000 | |
| 98 | P | A | -0.2965 | |
| 99 | S | A | -0.2629 | |
| 100 | T | A | -0.1498 | |
| 101 | P | A | -0.0942 | |
| 102 | G | A | 0.0000 | |
| 103 | D | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | F | A | 0.0000 | |
| 107 | H | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | K | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | A | A | -0.4319 | |
| 112 | R | A | -1.0927 | |
| 113 | K | A | -1.0097 | mutated: KW113A |
| 114 | D | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | C | A | 0.0000 | |
| 117 | F | A | 0.0000 | |
| 118 | E | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | G | A | 0.0000 | |
| 121 | R | A | -0.2695 | |
| 122 | Q | A | -0.2434 | |
| 123 | I | A | 0.0000 | |
| 124 | V | A | -0.0516 | |
| 125 | S | A | -0.3510 | |
| 126 | A | A | -0.4087 | |
| 127 | L | A | 0.0000 | |
| 128 | G | A | -0.6057 | |
| 129 | S | A | -0.5090 | |
| 130 | A | A | 0.0000 | |
| 131 | A | A | -0.2475 | |
| 132 | T | A | 0.1007 | |
| 133 | V | A | 0.3394 | |
| 134 | V | A | 0.6863 | |
| 135 | D | A | 0.0906 | |
| 136 | E | A | -0.5330 | |
| 137 | V | A | 0.0000 | |
| 138 | H | A | -0.4400 | mutated: HY138A |
| 139 | G | A | 0.0000 | |
| 140 | F | A | 0.0000 | |
| 141 | R | A | -1.5076 | |
| 142 | Y | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | D | A | -1.6729 | |
| 145 | S | A | -1.3554 | |
| 146 | R | A | -0.9935 | |
| 147 | D | A | -0.7757 | |
| 148 | L | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | G | A | -0.1740 | |
| 151 | F | A | 0.0000 | |
| 152 | V | A | -0.5019 | |
| 153 | D | A | -1.1955 | |
| 154 | G | A | -1.3207 | |
| 155 | T | A | -1.3825 | |
| 156 | E | A | -2.5076 | |
| 157 | N | A | -1.9997 | |
| 158 | P | A | -2.4937 | |
| 159 | T | A | -2.4316 | |
| 160 | D | A | -3.4171 | |
| 161 | D | A | -3.9750 | |
| 162 | D | A | -4.0964 | |
| 163 | A | A | 0.0000 | |
| 164 | A | A | -2.3446 | |
| 165 | D | A | -3.3762 | |
| 166 | S | A | -2.5831 | |
| 167 | A | A | 0.0000 | |
| 168 | L | A | -0.9901 | |
| 169 | I | A | 0.0000 | |
| 170 | G | A | -2.9403 | |
| 171 | D | A | -3.5282 | |
| 172 | E | A | -3.5052 | |
| 173 | D | A | -3.0844 | |
| 174 | P | A | -3.0241 | |
| 175 | D | A | -3.1249 | |
| 176 | F | A | 0.0000 | |
| 177 | R | A | -3.4322 | |
| 178 | G | A | -1.7978 | |
| 179 | G | A | 0.0000 | |
| 180 | S | A | 0.0000 | |
| 181 | Y | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | I | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | Q | A | 0.0000 | |
| 186 | K | A | -0.2387 | |
| 187 | Y | A | 0.0000 | |
| 188 | L | A | -0.3978 | |
| 189 | H | A | -0.9055 | |
| 190 | D | A | -1.8425 | |
| 191 | M | A | -1.1144 | |
| 192 | S | A | -1.0533 | |
| 193 | A | A | -0.9892 | |
| 194 | W | A | 0.0000 | |
| 195 | N | A | -1.4974 | |
| 196 | T | A | -0.8390 | |
| 197 | L | A | -1.1882 | |
| 198 | S | A | -1.5723 | |
| 199 | T | A | -1.6935 | |
| 200 | E | A | -2.9310 | |
| 201 | E | A | -2.8491 | |
| 202 | Q | A | 0.0000 | |
| 203 | E | A | -1.7951 | |
| 204 | R | A | -2.1987 | |
| 205 | V | A | 0.0000 | |
| 206 | I | A | -0.9926 | |
| 207 | G | A | 0.0000 | |
| 208 | R | A | 0.0000 | |
| 209 | T | A | -0.8090 | |
| 210 | K | A | -0.4881 | |
| 211 | L | A | 0.4833 | |
| 212 | E | A | -1.0581 | |
| 213 | N | A | -0.5854 | |
| 214 | V | A | -0.3539 | |
| 215 | E | A | -2.3892 | |
| 216 | L | A | 0.0000 | |
| 217 | D | A | -3.5665 | |
| 218 | D | A | -3.8745 | |
| 219 | D | A | -3.3108 | |
| 220 | A | A | -2.4300 | |
| 221 | Q | A | -2.4058 | |
| 222 | P | A | -1.3526 | |
| 223 | S | A | -1.2521 | |
| 224 | N | A | -1.3769 | |
| 225 | S | A | 0.0000 | |
| 226 | H | A | -0.4786 | |
| 227 | V | A | -0.4602 | |
| 228 | T | A | -0.5620 | |
| 229 | L | A | 0.0000 | |
| 230 | N | A | -0.1999 | |
| 231 | T | A | -0.2724 | |
| 232 | I | A | 0.0000 | |
| 233 | V | A | -0.4576 | |
| 234 | D | A | -1.8184 | |
| 235 | D | A | -2.8246 | |
| 236 | D | A | -2.7193 | |
| 237 | G | A | -1.5844 | |
| 238 | V | A | -0.6506 | |
| 239 | E | A | -1.7660 | |
| 240 | H | A | -1.7093 | |
| 241 | D | A | -2.2562 | |
| 242 | I | A | 0.0000 | |
| 243 | L | A | -0.8991 | |
| 244 | R | A | -1.0161 | |
| 245 | D | A | -0.6264 | |
| 246 | N | A | -0.6844 | |
| 247 | M | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | F | A | 0.0000 | |
| 250 | G | A | -0.7303 | |
| 251 | S | A | -1.1397 | |
| 252 | L | A | 0.0000 | |
| 253 | G | A | -1.1181 | |
| 254 | E | A | -2.1228 | |
| 255 | A | A | -1.4715 | |
| 256 | E | A | -1.6161 | |
| 257 | Y | A | -0.8316 | |
| 258 | G | A | 0.0000 | |
| 259 | T | A | -0.1306 | |
| 260 | Y | A | 0.0000 | |
| 261 | F | A | -0.0815 | |
| 262 | I | A | 0.0000 | |
| 263 | G | A | 0.0000 | |
| 264 | Y | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | K | A | -1.6207 | |
| 267 | D | A | -0.9915 | |
| 268 | P | A | 0.0000 | |
| 269 | A | A | -0.0334 | |
| 270 | V | A | 0.0278 | |
| 271 | T | A | 0.0000 | |
| 272 | E | A | 0.0000 | |
| 273 | L | A | 0.3968 | |
| 274 | M | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | R | A | -0.6137 | |
| 277 | R | A | -0.8907 | |
| 278 | M | A | 0.0000 | |
| 279 | F | A | 0.0000 | |
| 280 | L | A | -0.2313 | |
| 281 | G | A | 0.0000 | |
| 282 | E | A | -1.8533 | |
| 283 | P | A | -1.3584 | |
| 284 | P | A | -1.1091 | |
| 285 | G | A | -0.7568 | |
| 286 | N | A | -1.2260 | |
| 287 | Y | A | -0.7625 | |
| 288 | D | A | 0.0000 | |
| 289 | R | A | -1.4651 | |
| 290 | V | A | -0.5916 | |
| 291 | L | A | 0.0000 | |
| 292 | D | A | -0.8108 | |
| 293 | F | A | 0.0000 | |
| 294 | S | A | 0.0000 | |
| 295 | T | A | -0.4225 | |
| 296 | A | A | 0.0000 | |
| 297 | A | A | -0.0985 | |
| 298 | T | A | -0.1891 | |
| 299 | G | A | 0.0000 | |
| 300 | T | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | F | A | 0.0000 | |
| 303 | F | A | 0.0000 | |
| 304 | V | A | 0.0000 | |
| 305 | P | A | 0.0000 | |
| 306 | S | A | 0.0000 | |
| 307 | R | A | -1.7810 | |
| 308 | D | A | -2.6472 | |
| 309 | V | A | -1.6802 | |
| 310 | L | A | 0.0000 | |
| 311 | E | A | -2.7683 | |
| 312 | S | A | -1.5022 | |
| 313 | L | A | -0.6512 | |
| 6 | A | B | -0.7481 | |
| 7 | R | B | -1.6734 | |
| 8 | L | B | 0.0000 | |
| 9 | A | B | -1.1150 | |
| 10 | P | B | 0.0000 | |
| 11 | Q | B | 0.0000 | |
| 12 | A | B | 0.0000 | |
| 13 | V | B | 0.0000 | |
| 14 | L | B | 0.1103 | |
| 15 | T | B | -0.2835 | |
| 16 | P | B | -0.4626 | |
| 17 | P | B | -0.5589 | |
| 18 | S | B | -0.5319 | |
| 19 | A | B | -0.7480 | |
| 20 | A | B | 0.0000 | |
| 21 | S | B | 0.0000 | |
| 22 | L | B | 0.0000 | |
| 23 | F | B | 0.0000 | |
| 24 | L | B | 0.0000 | |
| 25 | V | B | 0.0000 | |
| 26 | L | B | 0.0000 | |
| 27 | V | B | 0.2907 | |
| 28 | A | B | -0.5422 | |
| 29 | G | B | -1.7227 | |
| 30 | D | B | -2.7091 | |
| 31 | S | B | -2.6771 | |
| 32 | D | B | -3.4664 | |
| 33 | D | B | -3.3009 | |
| 34 | D | B | -2.8023 | |
| 35 | R | B | -2.6951 | |
| 36 | A | B | -2.0057 | |
| 37 | T | B | -1.7558 | |
| 38 | V | B | 0.0000 | |
| 39 | C | B | 0.0000 | |
| 40 | D | B | -2.2971 | |
| 41 | V | B | 0.0000 | |
| 42 | I | B | 0.0000 | |
| 43 | S | B | -2.1872 | |
| 44 | G | B | -1.6191 | |
| 45 | I | B | 0.0000 | |
| 46 | D | B | -1.7588 | |
| 47 | G | B | -1.0513 | |
| 48 | P | B | -0.5785 | |
| 49 | L | B | 0.0000 | |
| 50 | K | B | -0.7079 | |
| 51 | A | B | -0.3312 | |
| 52 | V | B | 0.0000 | |
| 53 | G | B | 0.0000 | |
| 54 | F | B | 0.9522 | |
| 55 | R | B | -0.6716 | |
| 56 | E | B | 0.1978 | |
| 57 | L | B | 1.4108 | |
| 58 | A | B | 0.4824 | |
| 59 | G | B | 0.0083 | |
| 60 | S | B | -0.1290 | |
| 61 | L | B | 0.0000 | |
| 62 | S | B | 0.0000 | |
| 63 | C | B | 0.0000 | |
| 64 | V | B | 0.0000 | |
| 65 | V | B | 0.0000 | |
| 66 | G | B | 0.0000 | |
| 67 | V | B | 0.0000 | |
| 68 | G | B | 0.0000 | |
| 69 | A | B | 0.0000 | |
| 70 | Q | B | -1.6379 | |
| 71 | F | B | 0.0000 | |
| 72 | W | B | 0.0000 | |
| 73 | D | B | -2.5592 | |
| 74 | R | B | -2.0358 | |
| 75 | V | B | -1.0001 | |
| 76 | S | B | -1.1788 | |
| 77 | A | B | -1.2002 | |
| 78 | S | B | -0.9857 | |
| 79 | S | B | -1.4571 | |
| 80 | K | B | -2.2674 | |
| 81 | P | B | 0.0000 | |
| 82 | A | B | -1.2131 | |
| 83 | H | B | -0.9489 | |
| 84 | L | B | 0.0000 | |
| 85 | H | B | -0.6434 | |
| 86 | P | B | -0.5895 | |
| 87 | F | B | 0.0000 | |
| 88 | V | B | 0.1448 | |
| 89 | P | B | -0.3296 | |
| 90 | L | B | 0.0000 | |
| 91 | S | B | -0.3130 | |
| 92 | G | B | 0.0039 | |
| 93 | P | B | 0.4261 | |
| 94 | V | B | 1.3801 | |
| 95 | H | B | 0.3466 | |
| 96 | S | B | -0.0693 | |
| 97 | A | B | 0.0000 | |
| 98 | P | B | -0.2738 | |
| 99 | S | B | -0.2363 | |
| 100 | T | B | -0.1248 | |
| 101 | P | B | -0.1264 | |
| 102 | G | B | 0.0000 | |
| 103 | D | B | -0.2293 | |
| 104 | L | B | 0.0000 | |
| 105 | L | B | 0.0000 | |
| 106 | F | B | 0.0000 | |
| 107 | H | B | 0.0000 | |
| 108 | I | B | 0.0000 | |
| 109 | K | B | 0.0000 | |
| 110 | A | B | 0.0000 | |
| 111 | A | B | -0.4993 | |
| 112 | R | B | -1.1980 | |
| 113 | K | B | -1.0467 | |
| 114 | D | B | 0.0000 | |
| 115 | L | B | 0.0000 | |
| 116 | C | B | 0.0000 | |
| 117 | F | B | 0.0000 | |
| 118 | E | B | 0.0000 | |
| 119 | L | B | 0.0000 | |
| 120 | G | B | 0.0000 | |
| 121 | R | B | -0.5402 | |
| 122 | Q | B | -0.5935 | |
| 123 | I | B | 0.0000 | |
| 124 | V | B | -0.1733 | |
| 125 | S | B | -0.4852 | |
| 126 | A | B | -0.5172 | |
| 127 | L | B | 0.0000 | |
| 128 | G | B | -0.5925 | |
| 129 | S | B | -0.6942 | |
| 130 | A | B | 0.0000 | |
| 131 | A | B | -0.2687 | |
| 132 | T | B | 0.0897 | |
| 133 | V | B | 0.3715 | |
| 134 | V | B | 0.7015 | |
| 135 | D | B | 0.0000 | |
| 136 | E | B | -0.4347 | |
| 137 | V | B | 0.0000 | |
| 138 | H | B | -0.3867 | |
| 139 | G | B | 0.0000 | |
| 140 | F | B | 0.0000 | |
| 141 | R | B | -1.2587 | |
| 142 | Y | B | 0.0000 | |
| 143 | F | B | 0.0000 | |
| 144 | D | B | -0.7381 | |
| 145 | S | B | -0.8961 | |
| 146 | R | B | 0.0000 | |
| 147 | D | B | -0.5629 | |
| 148 | L | B | 0.0000 | |
| 149 | L | B | 0.0000 | |
| 150 | G | B | 0.0000 | |
| 151 | F | B | 0.0000 | |
| 152 | V | B | -0.4370 | |
| 153 | D | B | -1.1214 | |
| 154 | G | B | -1.2459 | |
| 155 | T | B | -1.3283 | |
| 156 | E | B | -2.4197 | |
| 157 | N | B | -1.7860 | |
| 158 | P | B | -2.2823 | |
| 159 | T | B | -2.4198 | |
| 160 | D | B | -3.4190 | |
| 161 | D | B | -3.9590 | |
| 162 | D | B | -4.0092 | |
| 163 | A | B | 0.0000 | |
| 164 | A | B | -2.3571 | |
| 165 | D | B | -3.3293 | |
| 166 | S | B | -2.2242 | |
| 167 | A | B | 0.0000 | |
| 168 | L | B | -0.8091 | |
| 169 | I | B | 0.0000 | |
| 170 | G | B | -2.8910 | |
| 171 | D | B | -3.5052 | |
| 172 | E | B | -3.4748 | |
| 173 | D | B | -3.0975 | |
| 174 | P | B | -2.9960 | |
| 175 | D | B | -3.1488 | |
| 176 | F | B | 0.0000 | |
| 177 | R | B | -3.2610 | |
| 178 | G | B | -1.8215 | |
| 179 | G | B | 0.0000 | |
| 180 | S | B | 0.0000 | |
| 181 | Y | B | 0.0000 | |
| 182 | V | B | 0.0000 | |
| 183 | I | B | 0.0000 | |
| 184 | V | B | 0.0000 | |
| 185 | Q | B | 0.0000 | |
| 186 | K | B | -0.1958 | |
| 187 | Y | B | 0.0000 | |
| 188 | L | B | -0.3256 | |
| 189 | H | B | -0.8196 | |
| 190 | D | B | -1.6712 | |
| 191 | M | B | -1.0205 | |
| 192 | S | B | -0.9758 | |
| 193 | A | B | -0.9323 | |
| 194 | W | B | 0.0000 | |
| 195 | N | B | -1.4158 | |
| 196 | T | B | -0.7704 | |
| 197 | L | B | -0.8549 | |
| 198 | S | B | -1.5295 | |
| 199 | T | B | -1.6211 | |
| 200 | E | B | -2.3058 | |
| 201 | E | B | -2.7234 | |
| 202 | Q | B | 0.0000 | |
| 203 | E | B | -1.9403 | |
| 204 | R | B | -2.8530 | |
| 205 | V | B | 0.0000 | |
| 206 | I | B | -1.0343 | |
| 207 | G | B | 0.0000 | |
| 208 | R | B | 0.0000 | |
| 209 | T | B | -0.8591 | |
| 210 | K | B | 0.0000 | |
| 211 | L | B | -0.5710 | |
| 212 | E | B | -1.5331 | |
| 213 | N | B | -0.7144 | |
| 214 | V | B | -0.1213 | |
| 215 | E | B | -2.1178 | |
| 216 | L | B | -2.2262 | |
| 217 | D | B | -3.4069 | |
| 218 | D | B | -3.8152 | |
| 219 | D | B | -3.2248 | |
| 220 | A | B | -2.5451 | |
| 221 | Q | B | -2.6016 | |
| 222 | P | B | -1.5129 | |
| 223 | S | B | -1.1283 | |
| 224 | N | B | -1.2339 | |
| 225 | S | B | 0.0000 | |
| 226 | H | B | -0.6220 | |
| 227 | V | B | -0.6632 | |
| 228 | T | B | -0.6062 | |
| 229 | L | B | 0.0000 | |
| 230 | N | B | -0.3174 | |
| 231 | T | B | -0.2551 | |
| 232 | I | B | 0.0000 | |
| 233 | V | B | -0.3027 | |
| 234 | D | B | -1.7259 | |
| 235 | D | B | -2.7956 | |
| 236 | D | B | -2.6838 | |
| 237 | G | B | -1.5312 | |
| 238 | V | B | -0.5141 | |
| 239 | E | B | -1.5912 | |
| 240 | H | B | -1.2553 | |
| 241 | D | B | -1.7971 | |
| 242 | I | B | 0.0000 | |
| 243 | L | B | -0.7177 | |
| 244 | R | B | -0.8075 | |
| 245 | D | B | -0.4853 | |
| 246 | A | B | -0.4533 | mutated: NA246B |
| 247 | M | B | 0.0000 | |
| 248 | A | B | 0.0000 | |
| 249 | F | B | 0.0000 | |
| 250 | G | B | -0.6764 | |
| 251 | S | B | -1.0998 | |
| 252 | L | B | 0.0000 | |
| 253 | G | B | -1.1266 | |
| 254 | E | B | -2.0919 | |
| 255 | A | B | -1.4237 | |
| 256 | E | B | -1.5390 | |
| 257 | Y | B | -0.7620 | |
| 258 | G | B | 0.0000 | |
| 259 | T | B | -0.1531 | |
| 260 | Y | B | 0.0000 | |
| 261 | F | B | 0.0761 | |
| 262 | I | B | 0.0000 | |
| 263 | G | B | 0.0000 | |
| 264 | Y | B | 0.0000 | |
| 265 | A | B | 0.0000 | |
| 266 | K | B | -1.5187 | |
| 267 | D | B | -0.9602 | |
| 268 | P | B | 0.0000 | |
| 269 | A | B | -0.0316 | |
| 270 | V | B | -0.1310 | |
| 271 | T | B | 0.0000 | |
| 272 | E | B | -0.2441 | |
| 273 | L | B | 0.0249 | |
| 274 | M | B | 0.0000 | |
| 275 | L | B | 0.0000 | |
| 276 | R | B | -1.5187 | |
| 277 | R | B | -1.3997 | |
| 278 | M | B | 0.0000 | |
| 279 | F | B | 0.0000 | |
| 280 | L | B | -0.6215 | |
| 281 | G | B | -1.4742 | |
| 282 | E | B | -2.2267 | |
| 283 | P | B | -1.5189 | |
| 284 | P | B | -1.3041 | |
| 285 | G | B | -1.0336 | |
| 286 | N | B | -1.1635 | |
| 287 | Y | B | -1.0425 | |
| 288 | D | B | 0.0000 | |
| 289 | R | B | -1.0105 | |
| 290 | V | B | -0.3629 | |
| 291 | L | B | 0.0000 | |
| 292 | D | B | -0.9343 | |
| 293 | F | B | -0.9125 | |
| 294 | S | B | 0.0000 | |
| 295 | T | B | -0.4319 | |
| 296 | A | B | 0.0000 | |
| 297 | A | B | -0.0871 | |
| 298 | T | B | -0.1643 | |
| 299 | G | B | 0.0000 | |
| 300 | T | B | 0.0000 | |
| 301 | L | B | 0.0000 | |
| 302 | F | B | 0.0000 | |
| 303 | F | B | 0.0000 | |
| 304 | V | B | 0.0000 | |
| 305 | P | B | 0.0000 | |
| 306 | S | B | -1.7454 | |
| 307 | R | B | -2.7457 | |
| 308 | D | B | -3.1274 | |
| 309 | V | B | -2.1121 | |
| 310 | L | B | 0.0000 | |
| 311 | E | B | -3.2721 | |
| 312 | S | B | -1.9561 | |
| 313 | L | B | 0.0000 | |
| 314 | G | B | -1.1114 | |
| 6 | A | C | -0.7244 | |
| 7 | R | C | -1.6775 | |
| 8 | L | C | 0.0000 | |
| 9 | A | C | -1.1248 | |
| 10 | P | C | 0.0000 | |
| 11 | Q | C | 0.0000 | |
| 12 | A | C | -0.2927 | |
| 13 | V | C | 0.0000 | |
| 14 | L | C | 0.4933 | |
| 15 | T | C | -0.0535 | |
| 16 | P | C | -0.1749 | |
| 17 | P | C | -0.1420 | |
| 18 | S | C | -0.1471 | |
| 19 | A | C | -0.1132 | |
| 20 | A | C | 0.0000 | |
| 21 | S | C | 0.0000 | |
| 22 | L | C | 0.0000 | |
| 23 | F | C | 0.0000 | |
| 24 | L | C | 0.0000 | |
| 25 | V | C | 0.0000 | |
| 26 | L | C | 0.0000 | |
| 27 | V | C | 0.4098 | |
| 28 | A | C | -0.5140 | |
| 29 | G | C | -1.7717 | |
| 30 | D | C | -2.7329 | |
| 31 | S | C | -2.6579 | |
| 32 | D | C | -3.5475 | |
| 33 | D | C | -3.2943 | |
| 34 | D | C | -2.8348 | |
| 35 | R | C | -2.7449 | |
| 36 | A | C | -1.9083 | |
| 37 | T | C | -1.7791 | |
| 38 | V | C | 0.0000 | |
| 39 | C | C | 0.0000 | |
| 40 | D | C | -2.0881 | |
| 41 | V | C | 0.0000 | |
| 42 | I | C | 0.0000 | |
| 43 | S | C | -1.9110 | |
| 44 | G | C | -1.4892 | |
| 45 | I | C | 0.0000 | |
| 46 | D | C | -1.4673 | |
| 47 | G | C | -0.9706 | |
| 48 | P | C | -0.6981 | |
| 49 | L | C | 0.0000 | |
| 50 | K | C | -0.7728 | |
| 51 | A | C | -0.3998 | |
| 52 | V | C | 0.0000 | |
| 53 | G | C | 0.0000 | |
| 54 | F | C | 0.9401 | |
| 55 | R | C | -0.6092 | |
| 56 | E | C | 0.0000 | |
| 57 | L | C | 1.5236 | |
| 58 | A | C | 0.5720 | |
| 59 | G | C | 0.0725 | |
| 60 | S | C | -0.1955 | |
| 61 | L | C | 0.0000 | |
| 62 | S | C | 0.0000 | |
| 63 | C | C | 0.0000 | |
| 64 | V | C | 0.0000 | |
| 65 | V | C | 0.0000 | |
| 66 | G | C | 0.0000 | |
| 67 | V | C | 0.0000 | |
| 68 | G | C | 0.0000 | |
| 69 | A | C | -1.5677 | |
| 70 | Q | C | -2.0373 | |
| 71 | F | C | 0.0000 | |
| 72 | W | C | 0.0000 | |
| 73 | D | C | -2.7211 | |
| 74 | R | C | -2.1406 | |
| 75 | V | C | -0.7945 | |
| 76 | S | C | -0.9151 | |
| 77 | A | C | -1.1822 | |
| 78 | S | C | -0.8578 | |
| 79 | S | C | -1.5006 | |
| 80 | K | C | -2.4218 | |
| 81 | P | C | 0.0000 | |
| 82 | A | C | -1.1748 | |
| 83 | H | C | -0.9880 | |
| 84 | L | C | 0.0000 | |
| 85 | H | C | -0.7929 | |
| 86 | P | C | -0.5658 | |
| 87 | F | C | 0.0000 | |
| 88 | V | C | 0.2415 | |
| 89 | P | C | -0.2315 | |
| 90 | L | C | 0.0000 | |
| 91 | S | C | -0.1650 | |
| 92 | G | C | 0.0305 | |
| 93 | P | C | 0.3829 | |
| 94 | V | C | 1.3658 | |
| 95 | H | C | 0.2563 | |
| 96 | S | C | -0.1160 | |
| 97 | A | C | 0.0000 | |
| 98 | P | C | -0.2626 | |
| 99 | S | C | -0.2318 | |
| 100 | T | C | -0.1136 | |
| 101 | P | C | -0.1332 | |
| 102 | G | C | -0.0711 | |
| 103 | D | C | -0.3658 | |
| 104 | L | C | 0.0000 | |
| 105 | L | C | 0.0000 | |
| 106 | F | C | 0.0000 | |
| 107 | H | C | 0.0000 | |
| 108 | I | C | 0.0000 | |
| 109 | K | C | 0.0000 | |
| 110 | A | C | 0.0000 | |
| 111 | A | C | -1.2164 | |
| 112 | R | C | -2.3268 | |
| 113 | K | C | -2.5267 | |
| 114 | D | C | -1.8929 | |
| 115 | L | C | 0.0000 | |
| 116 | C | C | 0.0000 | |
| 117 | F | C | 0.0778 | |
| 118 | E | C | -0.5774 | |
| 119 | L | C | 0.0000 | |
| 120 | G | C | 0.0000 | |
| 121 | R | C | -1.1282 | |
| 122 | Q | C | -0.7582 | |
| 123 | I | C | 0.0000 | |
| 124 | V | C | -0.0729 | |
| 125 | S | C | -0.5718 | |
| 126 | A | C | -0.5448 | |
| 127 | L | C | 0.0000 | |
| 128 | G | C | -0.5176 | |
| 129 | S | C | -0.6355 | |
| 130 | A | C | 0.0000 | |
| 131 | A | C | 0.0000 | |
| 132 | T | C | 0.6257 | |
| 133 | V | C | 1.0012 | |
| 134 | V | C | 0.9504 | |
| 135 | D | C | 0.0000 | |
| 136 | E | C | -1.6988 | |
| 137 | V | C | 0.0000 | |
| 138 | H | C | -1.2107 | |
| 139 | G | C | 0.0000 | |
| 140 | F | C | 0.4466 | |
| 141 | R | C | 0.7847 | |
| 142 | Y | C | 1.2455 | |
| 143 | F | C | 1.9300 | |
| 144 | D | C | 0.6709 | |
| 145 | S | C | 0.0000 | |
| 146 | R | C | 0.0000 | |
| 147 | D | C | 0.2043 | |
| 148 | L | C | 0.3470 | |
| 149 | L | C | 0.0000 | |
| 150 | G | C | 0.0000 | |
| 151 | F | C | 0.0000 | |
| 152 | V | C | 0.0000 | |
| 153 | D | C | -0.6649 | |
| 154 | G | C | -0.8567 | |
| 155 | T | C | 0.0000 | |
| 156 | E | C | -1.8024 | |
| 157 | N | C | -1.2997 | |
| 158 | P | C | 0.0000 | |
| 159 | T | C | 0.0000 | |
| 160 | D | C | -2.6744 | |
| 161 | D | C | -3.5712 | |
| 162 | D | C | -3.7341 | |
| 163 | A | C | 0.0000 | |
| 164 | A | C | -2.1345 | |
| 165 | D | C | -3.1961 | |
| 166 | S | C | -2.2198 | |
| 167 | A | C | 0.0000 | |
| 168 | L | C | -0.8810 | |
| 169 | I | C | 0.0000 | |
| 170 | G | C | -2.9642 | |
| 171 | D | C | -3.5210 | |
| 172 | E | C | -3.4427 | |
| 173 | D | C | -2.9105 | |
| 174 | P | C | -2.9978 | |
| 175 | D | C | -3.1508 | |
| 176 | F | C | 0.0000 | |
| 177 | R | C | -3.4395 | |
| 178 | G | C | -2.0819 | |
| 179 | G | C | 0.0000 | |
| 180 | S | C | 0.0000 | |
| 181 | Y | C | 0.0000 | |
| 182 | V | C | 0.0000 | |
| 183 | I | C | 0.0000 | |
| 184 | V | C | 0.0000 | |
| 185 | Q | C | 0.0000 | |
| 186 | K | C | -0.4159 | |
| 187 | Y | C | 0.0000 | |
| 188 | L | C | -0.3974 | |
| 189 | H | C | -0.8111 | |
| 190 | D | C | -1.6373 | |
| 191 | M | C | -0.9337 | |
| 192 | S | C | -0.9624 | |
| 193 | A | C | -0.9624 | |
| 194 | W | C | 0.0000 | |
| 195 | N | C | -1.4578 | |
| 196 | T | C | -0.7648 | |
| 197 | L | C | -0.9225 | |
| 198 | S | C | -1.3796 | |
| 199 | T | C | -1.5195 | |
| 200 | E | C | -2.3262 | |
| 201 | E | C | -2.1679 | |
| 202 | Q | C | 0.0000 | |
| 203 | E | C | -1.5310 | |
| 204 | R | C | -2.0022 | |
| 205 | V | C | 0.0000 | |
| 206 | I | C | -0.7929 | |
| 207 | G | C | 0.0000 | |
| 208 | R | C | 0.0000 | |
| 209 | T | C | -0.4822 | |
| 210 | K | C | 0.0000 | |
| 211 | L | C | 0.0131 | |
| 212 | E | C | -0.3136 | |
| 213 | N | C | 0.0000 | |
| 214 | V | C | -0.2066 | |
| 215 | E | C | -1.3099 | |
| 216 | L | C | -1.8287 | |
| 217 | D | C | -3.3066 | |
| 218 | D | C | -3.6851 | |
| 219 | D | C | -3.2494 | |
| 220 | A | C | -2.3136 | |
| 221 | Q | C | -2.2175 | |
| 222 | P | C | -1.3616 | |
| 223 | S | C | -1.1063 | |
| 224 | N | C | -1.4503 | |
| 225 | S | C | 0.0000 | |
| 226 | H | C | -0.6490 | |
| 227 | V | C | -0.3793 | |
| 228 | T | C | -0.4518 | |
| 229 | L | C | 0.0000 | |
| 230 | N | C | -0.2296 | |
| 231 | T | C | -0.1818 | |
| 232 | I | C | 0.0000 | |
| 233 | V | C | -0.1357 | |
| 234 | D | C | -1.7627 | |
| 235 | D | C | -2.8139 | |
| 236 | D | C | -2.7016 | |
| 237 | G | C | -1.5005 | |
| 238 | V | C | -0.4453 | |
| 239 | E | C | -1.5316 | |
| 240 | H | C | -1.4549 | |
| 241 | D | C | -1.7813 | |
| 242 | I | C | 0.0000 | |
| 243 | L | C | -0.5202 | |
| 244 | R | C | -0.6939 | |
| 245 | D | C | -0.4216 | |
| 246 | N | C | -0.3696 | |
| 247 | M | C | 0.0000 | |
| 248 | A | C | 0.0000 | |
| 249 | F | C | 0.0000 | |
| 250 | G | C | -0.6596 | |
| 251 | S | C | -0.5355 | |
| 252 | L | C | 0.4256 | |
| 253 | G | C | -0.8402 | |
| 254 | E | C | -1.9118 | |
| 255 | A | C | -1.0255 | |
| 256 | E | C | -1.4219 | |
| 257 | Y | C | -0.4280 | |
| 258 | G | C | 0.0000 | |
| 259 | T | C | 0.0315 | |
| 260 | Y | C | 0.0000 | |
| 261 | F | C | -0.0450 | |
| 262 | I | C | 0.0000 | |
| 263 | G | C | 0.0000 | |
| 264 | Y | C | 0.0000 | |
| 265 | A | C | 0.0000 | |
| 266 | K | C | -1.5858 | |
| 267 | D | C | -0.7413 | |
| 268 | P | C | 0.0000 | |
| 269 | A | C | 0.0514 | |
| 270 | V | C | 0.1332 | |
| 271 | T | C | 0.0000 | |
| 272 | E | C | 0.0000 | |
| 273 | L | C | 0.4571 | |
| 274 | M | C | 0.0000 | |
| 275 | L | C | 0.0000 | |
| 276 | R | C | -0.5339 | |
| 277 | R | C | -0.9252 | |
| 278 | M | C | 0.0000 | |
| 279 | F | C | 0.0000 | |
| 280 | L | C | -0.2186 | |
| 281 | G | C | -1.3227 | |
| 282 | E | C | -1.8578 | |
| 283 | P | C | -1.3651 | |
| 284 | P | C | -1.1287 | |
| 285 | G | C | -0.7630 | |
| 286 | N | C | -1.2746 | |
| 287 | Y | C | -0.8736 | |
| 288 | D | C | 0.0000 | |
| 289 | R | C | -1.5752 | |
| 290 | V | C | -0.7924 | |
| 291 | L | C | 0.0000 | |
| 292 | D | C | -1.0509 | |
| 293 | F | C | 0.0000 | |
| 294 | S | C | 0.0000 | |
| 295 | T | C | -0.4603 | |
| 296 | A | C | 0.0000 | |
| 297 | A | C | -0.1044 | |
| 298 | T | C | -0.1627 | |
| 299 | G | C | 0.0000 | |
| 300 | T | C | 0.0000 | |
| 301 | L | C | 0.0000 | |
| 302 | F | C | 0.0000 | |
| 303 | F | C | 0.0000 | |
| 304 | V | C | 0.0000 | |
| 305 | P | C | 0.0000 | |
| 306 | S | C | -2.2835 | |
| 307 | R | C | -3.2294 | |
| 308 | D | C | -3.3100 | |
| 309 | V | C | -2.0890 | |
| 310 | L | C | 0.0000 | |
| 311 | E | C | -3.0396 | |
| 312 | S | C | -1.4442 | |
| 313 | L | C | -0.1076 |
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