| Chain sequence(s) |
A: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLADEHDQGYDLYGDGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD
C: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLADEHDQGYDLYGDGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD B: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLADEHDQGYDLYGDGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD E: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLADEHDQGYDLYGDGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD D: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLADEHDQGYDLYGDGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD F: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLADEHDQGYDLYGDGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD input PDB |
| Selected Chain(s) | A,B,C,D,E,F |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:09)
[INFO] FoldX: Starting FoldX energy minimization (00:00:09)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:41:08)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6156102df9355bd/tmp/folded.pdb (00:41:08)
[INFO] Main: Simulation completed successfully. (01:08:29)
|
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 | I | A | -0.3909 | |
| 2 | R | A | -1.0700 | |
| 3 | L | A | 0.0000 | |
| 4 | Y | A | 0.0000 | |
| 5 | M | A | 0.0000 | |
| 6 | F | A | 0.0000 | |
| 7 | Q | A | -0.4907 | |
| 8 | S | A | 0.0000 | |
| 9 | G | A | 0.0000 | |
| 10 | T | A | -0.7973 | |
| 11 | L | A | 0.0000 | |
| 12 | K | A | -1.5253 | |
| 13 | C | A | -0.9082 | |
| 14 | K | A | -1.7495 | |
| 15 | T | A | -1.5473 | |
| 16 | N | A | 0.0000 | |
| 17 | N | A | -0.6902 | |
| 18 | I | A | 0.0000 | |
| 19 | K | A | -1.4593 | |
| 20 | M | A | -0.5379 | |
| 21 | N | A | -1.3426 | |
| 22 | A | A | -1.6321 | |
| 23 | D | A | -2.5782 | |
| 24 | P | A | -1.8526 | |
| 25 | A | A | -1.1020 | |
| 26 | P | A | -1.1974 | |
| 27 | Y | A | -1.0489 | |
| 28 | E | A | -1.7683 | |
| 29 | I | A | 0.0000 | |
| 30 | P | A | 0.0000 | |
| 31 | V | A | 0.0000 | |
| 32 | P | A | 0.0000 | |
| 33 | W | A | 0.0000 | |
| 34 | Y | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | I | A | 0.0000 | |
| 37 | T | A | -0.5281 | |
| 38 | H | A | 0.0000 | |
| 39 | P | A | -0.8637 | |
| 40 | K | A | -1.6339 | |
| 41 | G | A | -1.4264 | |
| 42 | N | A | -0.9485 | |
| 43 | V | A | 0.0000 | |
| 44 | V | A | 0.0000 | |
| 45 | I | A | 0.0000 | |
| 46 | D | A | 0.0000 | |
| 47 | G | A | 0.0000 | |
| 48 | G | A | 0.0000 | |
| 49 | N | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | V | A | -0.6735 | |
| 52 | E | A | -1.3237 | |
| 53 | C | A | 0.0000 | |
| 54 | A | A | -1.1073 | |
| 55 | T | A | -1.4250 | |
| 56 | D | A | -2.6290 | |
| 57 | P | A | -2.1195 | |
| 58 | E | A | -2.7819 | |
| 59 | G | A | -2.1931 | |
| 60 | H | A | -1.8527 | |
| 61 | W | A | 0.0000 | |
| 62 | G | A | -1.4562 | |
| 63 | G | A | -0.7543 | |
| 64 | I | A | 0.0007 | |
| 65 | T | A | 0.0000 | |
| 66 | T | A | 0.0765 | |
| 67 | V | A | 0.6274 | |
| 68 | Y | A | 0.1017 | |
| 69 | W | A | -0.2795 | |
| 70 | P | A | 0.0000 | |
| 71 | D | A | -1.0196 | |
| 72 | M | A | -0.7318 | |
| 73 | T | A | -0.9578 | |
| 74 | P | A | -1.2241 | |
| 75 | E | A | -2.4225 | |
| 76 | Q | A | -1.4606 | |
| 77 | G | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | E | A | -1.4620 | |
| 80 | A | A | -1.7523 | |
| 81 | Q | A | -1.8228 | |
| 82 | L | A | 0.0000 | |
| 83 | Q | A | -2.5271 | |
| 84 | K | A | -2.5820 | |
| 85 | L | A | -1.1489 | |
| 86 | G | A | -1.3019 | |
| 87 | I | A | -1.1584 | |
| 88 | A | A | -1.5293 | |
| 89 | K | A | -2.6365 | |
| 90 | D | A | -2.8364 | |
| 91 | S | A | -1.8461 | |
| 92 | V | A | 0.0000 | |
| 93 | R | A | -1.6329 | |
| 94 | Y | A | 0.0000 | |
| 95 | V | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | Q | A | 0.0000 | |
| 98 | S | A | 0.0000 | |
| 99 | H | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | H | A | 0.0000 | |
| 102 | L | A | 0.0000 | |
| 103 | D | A | 0.0000 | |
| 104 | H | A | 0.0000 | |
| 105 | T | A | 0.0000 | |
| 106 | G | A | 0.0000 | |
| 107 | A | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | G | A | -0.9386 | |
| 110 | R | A | -1.0397 | |
| 111 | F | A | 0.0000 | |
| 112 | P | A | -2.0135 | |
| 113 | K | A | -2.7638 | |
| 114 | A | A | 0.0000 | |
| 115 | T | A | 0.0000 | |
| 116 | H | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | Q | A | 0.0000 | |
| 120 | R | A | -0.4385 | |
| 121 | N | A | -0.6827 | |
| 122 | E | A | 0.0000 | |
| 123 | Y | A | -0.3674 | |
| 124 | E | A | -0.8263 | |
| 125 | Y | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | F | A | 0.0000 | |
| 128 | T | A | -0.2627 | |
| 129 | P | A | -0.0680 | |
| 130 | D | A | 0.0000 | |
| 131 | W | A | 0.2111 | |
| 132 | F | A | 0.2291 | |
| 133 | A | A | 0.0000 | |
| 134 | A | A | 0.1160 | |
| 135 | G | A | -0.0771 | |
| 136 | G | A | -0.1399 | |
| 137 | Y | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | R | A | -1.7098 | |
| 140 | K | A | -2.3242 | |
| 141 | D | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | D | A | -1.7938 | |
| 144 | K | A | -1.4983 | |
| 145 | P | A | -0.9440 | |
| 146 | G | A | -0.8941 | |
| 147 | L | A | -0.9784 | |
| 148 | K | A | -1.2342 | |
| 149 | W | A | -0.3717 | |
| 150 | Q | A | -0.4540 | |
| 151 | F | A | -0.0748 | |
| 152 | L | A | 0.0000 | |
| 153 | A | A | -0.6470 | |
| 154 | D | A | -0.9912 | |
| 155 | E | A | -1.4204 | |
| 156 | H | A | -1.4924 | |
| 157 | D | A | -1.0165 | |
| 158 | Q | A | -0.9952 | |
| 159 | G | A | 0.0000 | |
| 160 | Y | A | -0.4864 | |
| 161 | D | A | -1.0362 | |
| 162 | L | A | 0.0000 | |
| 163 | Y | A | 0.0000 | |
| 164 | G | A | -1.3639 | |
| 165 | D | A | -1.7613 | |
| 166 | G | A | -1.1367 | |
| 167 | V | A | 0.0000 | |
| 168 | I | A | 0.0000 | |
| 169 | R | A | -0.9035 | |
| 170 | M | A | 0.0000 | |
| 171 | F | A | 0.0000 | |
| 172 | Y | A | 0.0000 | |
| 173 | T | A | 0.0000 | |
| 174 | P | A | -0.4741 | |
| 175 | G | A | 0.0000 | |
| 176 | H | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | P | A | -0.3577 | |
| 179 | G | A | 0.0000 | |
| 180 | H | A | 0.0000 | |
| 181 | Q | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | F | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | S | A | -1.0731 | |
| 187 | L | A | 0.0000 | |
| 188 | P | A | -1.0414 | |
| 189 | S | A | -1.1154 | |
| 190 | A | A | -1.2090 | |
| 191 | E | A | -2.0922 | |
| 192 | K | A | -1.6255 | |
| 193 | Y | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | A | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | D | A | 0.0000 | |
| 199 | A | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | Y | A | 0.0000 | |
| 202 | T | A | -0.4292 | |
| 203 | V | A | -0.4293 | |
| 204 | D | A | -1.8498 | |
| 205 | H | A | 0.0000 | |
| 206 | W | A | -0.9369 | |
| 207 | E | A | -1.9353 | |
| 208 | E | A | -1.7040 | |
| 209 | K | A | -2.4148 | |
| 210 | A | A | -1.3885 | |
| 211 | L | A | -0.5005 | |
| 212 | P | A | 0.0000 | |
| 213 | G | A | 0.0000 | |
| 214 | F | A | 0.2483 | |
| 215 | L | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | S | A | -0.2948 | |
| 218 | T | A | 0.0000 | |
| 219 | V | A | -0.2023 | |
| 220 | D | A | -0.9024 | |
| 221 | T | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | R | A | -0.8394 | |
| 224 | S | A | 0.0000 | |
| 225 | V | A | 0.0000 | |
| 226 | Q | A | -1.1456 | |
| 227 | K | A | -1.0119 | |
| 228 | L | A | 0.0000 | |
| 229 | R | A | -1.2752 | |
| 230 | A | A | -1.1300 | |
| 231 | L | A | -0.9227 | |
| 232 | A | A | -1.3964 | |
| 233 | E | A | -1.6888 | |
| 234 | H | A | -1.3828 | |
| 235 | E | A | -1.7625 | |
| 236 | E | A | -2.5163 | |
| 237 | A | A | -1.7351 | |
| 238 | H | A | -1.1988 | |
| 239 | V | A | -0.1237 | |
| 240 | V | A | 0.0000 | |
| 241 | T | A | 0.0000 | |
| 242 | G | A | 0.0000 | |
| 243 | H | A | 0.0000 | |
| 244 | D | A | 0.0000 | |
| 245 | P | A | -1.1185 | |
| 246 | D | A | -1.7941 | |
| 247 | A | A | -0.8003 | |
| 248 | W | A | 0.0000 | |
| 249 | P | A | -1.0595 | |
| 250 | S | A | -0.9144 | |
| 251 | F | A | -0.7005 | |
| 252 | K | A | -1.5624 | |
| 253 | Q | A | -1.1976 | |
| 254 | A | A | -0.5575 | |
| 255 | P | A | -0.6347 | |
| 256 | A | A | -0.5156 | |
| 257 | Y | A | -0.5847 | |
| 258 | Y | A | -1.1796 | |
| 259 | D | A | -2.0508 | |
| 1 | I | B | -0.3710 | |
| 2 | R | B | -1.0711 | |
| 3 | L | B | 0.0000 | |
| 4 | Y | B | 0.0000 | |
| 5 | M | B | 0.0000 | |
| 6 | F | B | 0.0000 | |
| 7 | Q | B | -0.5313 | |
| 8 | S | B | 0.0000 | |
| 9 | G | B | 0.0000 | |
| 10 | T | B | -0.9672 | |
| 11 | L | B | 0.0000 | |
| 12 | K | B | -1.6154 | |
| 13 | C | B | 0.0000 | |
| 14 | K | B | -1.8049 | |
| 15 | T | B | -1.4941 | |
| 16 | N | B | 0.0000 | |
| 17 | N | B | -0.6367 | |
| 18 | I | B | 0.0000 | |
| 19 | K | B | -1.0854 | |
| 20 | M | B | -0.3470 | |
| 21 | N | B | -1.2860 | |
| 22 | A | B | -1.5240 | |
| 23 | D | B | -2.5370 | |
| 24 | P | B | -1.8555 | |
| 25 | A | B | -1.1694 | |
| 26 | P | B | -1.2591 | |
| 27 | Y | B | -1.1108 | |
| 28 | E | B | -1.6967 | |
| 29 | I | B | 0.0000 | |
| 30 | P | B | 0.0000 | |
| 31 | V | B | 0.0000 | |
| 32 | P | B | 0.0000 | |
| 33 | W | B | 0.0000 | |
| 34 | Y | B | 0.0000 | |
| 35 | L | B | 0.0000 | |
| 36 | I | B | 0.0000 | |
| 37 | T | B | -0.5095 | |
| 38 | H | B | 0.0000 | |
| 39 | P | B | -0.7996 | |
| 40 | K | B | -1.4812 | |
| 41 | G | B | -1.3741 | |
| 42 | N | B | -0.9596 | |
| 43 | V | B | 0.0000 | |
| 44 | V | B | 0.0000 | |
| 45 | I | B | 0.0000 | |
| 46 | D | B | 0.0000 | |
| 47 | G | B | 0.0000 | |
| 48 | G | B | 0.0000 | |
| 49 | N | B | 0.0000 | |
| 50 | A | B | 0.0000 | |
| 51 | V | B | -0.7756 | |
| 52 | E | B | -1.4524 | |
| 53 | C | B | 0.0000 | |
| 54 | A | B | -1.3308 | |
| 55 | T | B | -1.5430 | |
| 56 | D | B | -2.6512 | |
| 57 | P | B | -2.2068 | |
| 58 | E | B | -2.7726 | |
| 59 | G | B | -2.2065 | |
| 60 | H | B | -1.8767 | |
| 61 | W | B | 0.0000 | |
| 62 | G | B | -1.4552 | |
| 63 | G | B | -0.7429 | |
| 64 | I | B | 0.0220 | |
| 65 | T | B | 0.0000 | |
| 66 | T | B | 0.0930 | |
| 67 | V | B | 0.6193 | |
| 68 | Y | B | 0.0670 | |
| 69 | W | B | -0.3042 | |
| 70 | P | B | 0.0000 | |
| 71 | D | B | -1.6082 | |
| 72 | M | B | 0.0000 | |
| 73 | T | B | -1.1907 | |
| 74 | P | B | -1.3467 | |
| 75 | E | B | -2.5024 | |
| 76 | Q | B | -1.5953 | |
| 77 | G | B | 0.0000 | |
| 78 | V | B | 0.0000 | |
| 79 | E | B | -1.5042 | |
| 80 | A | B | -1.7768 | |
| 81 | Q | B | -1.8446 | |
| 82 | L | B | 0.0000 | |
| 83 | Q | B | -2.5471 | |
| 84 | K | B | -2.5836 | |
| 85 | L | B | -1.1464 | |
| 86 | G | B | -1.3083 | |
| 87 | I | B | -1.1980 | |
| 88 | A | B | -1.6256 | |
| 89 | K | B | -2.8444 | |
| 90 | D | B | -3.0737 | |
| 91 | S | B | -1.9543 | |
| 92 | V | B | 0.0000 | |
| 93 | R | B | -1.6740 | |
| 94 | Y | B | 0.0000 | |
| 95 | V | B | 0.0000 | |
| 96 | L | B | 0.0000 | |
| 97 | Q | B | 0.0000 | |
| 98 | S | B | 0.0000 | |
| 99 | H | B | 0.0000 | |
| 100 | L | B | 0.0000 | |
| 101 | H | B | 0.0000 | |
| 102 | L | B | 0.0000 | |
| 103 | D | B | 0.0000 | |
| 104 | H | B | 0.0000 | |
| 105 | T | B | 0.0000 | |
| 106 | G | B | 0.0000 | |
| 107 | A | B | 0.0000 | |
| 108 | I | B | 0.0000 | |
| 109 | G | B | -0.9556 | |
| 110 | R | B | -1.0921 | |
| 111 | F | B | 0.0000 | |
| 112 | P | B | -2.0993 | |
| 113 | K | B | -2.8510 | |
| 114 | A | B | 0.0000 | |
| 115 | T | B | 0.0000 | |
| 116 | H | B | 0.0000 | |
| 117 | I | B | 0.0000 | |
| 118 | V | B | 0.0000 | |
| 119 | Q | B | 0.0000 | |
| 120 | R | B | -0.4552 | |
| 121 | N | B | -0.6656 | |
| 122 | E | B | 0.0000 | |
| 123 | Y | B | -0.3853 | |
| 124 | E | B | -0.8830 | |
| 125 | Y | B | 0.0000 | |
| 126 | A | B | 0.0000 | |
| 127 | F | B | 0.0000 | |
| 128 | T | B | -0.3056 | |
| 129 | P | B | -0.0777 | |
| 130 | D | B | 0.0000 | |
| 131 | W | B | 0.2423 | |
| 132 | F | B | 0.2282 | |
| 133 | A | B | 0.0000 | |
| 134 | A | B | 0.0742 | |
| 135 | G | B | -0.0686 | |
| 136 | G | B | -0.0936 | |
| 137 | Y | B | 0.0000 | |
| 138 | I | B | 0.0000 | |
| 139 | R | B | -1.7161 | |
| 140 | K | B | -2.3361 | |
| 141 | D | B | 0.0000 | |
| 142 | F | B | 0.0000 | |
| 143 | D | B | -1.8359 | |
| 144 | K | B | -1.5213 | |
| 145 | P | B | -0.9643 | |
| 146 | G | B | -0.9137 | |
| 147 | L | B | -1.0181 | |
| 148 | K | B | -1.2975 | |
| 149 | W | B | -0.4060 | |
| 150 | Q | B | -0.4981 | |
| 151 | F | B | -0.1351 | |
| 152 | L | B | 0.0000 | |
| 153 | A | B | -0.6678 | |
| 154 | D | B | -1.0066 | |
| 155 | E | B | -1.4198 | |
| 156 | H | B | -1.5379 | |
| 157 | D | B | -1.0387 | |
| 158 | Q | B | -1.0110 | |
| 159 | G | B | 0.0000 | |
| 160 | Y | B | -0.4792 | |
| 161 | D | B | -0.9981 | |
| 162 | L | B | 0.0000 | |
| 163 | Y | B | -1.0054 | |
| 164 | G | B | -1.2889 | |
| 165 | D | B | -1.6791 | |
| 166 | G | B | -1.0906 | |
| 167 | V | B | 0.0000 | |
| 168 | I | B | 0.0000 | |
| 169 | R | B | -0.9046 | |
| 170 | M | B | 0.0000 | |
| 171 | F | B | 0.0000 | |
| 172 | Y | B | 0.0000 | |
| 173 | T | B | 0.0000 | |
| 174 | P | B | -0.4816 | |
| 175 | G | B | 0.0000 | |
| 176 | H | B | 0.0000 | |
| 177 | A | B | 0.0000 | |
| 178 | P | B | -0.3594 | |
| 179 | G | B | 0.0000 | |
| 180 | H | B | 0.0000 | |
| 181 | Q | B | 0.0000 | |
| 182 | S | B | 0.0000 | |
| 183 | F | B | 0.0000 | |
| 184 | L | B | 0.0000 | |
| 185 | V | B | 0.0000 | |
| 186 | S | B | -1.0535 | |
| 187 | L | B | 0.0000 | |
| 188 | P | B | -1.0168 | |
| 189 | S | B | -1.0755 | |
| 190 | A | B | -1.1596 | |
| 191 | E | B | -1.9961 | |
| 192 | K | B | -1.6289 | |
| 193 | Y | B | 0.0000 | |
| 194 | L | B | 0.0000 | |
| 195 | L | B | 0.0000 | |
| 196 | A | B | 0.0000 | |
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| 203 | V | B | -0.4678 | |
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| 1 | I | C | -0.3689 | |
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| 50 | A | C | 0.0000 | |
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| 89 | K | C | -2.9265 | |
| 90 | D | C | -2.9828 | |
| 91 | S | C | -1.9164 | |
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| 94 | Y | C | 0.0000 | |
| 95 | V | C | 0.0000 | |
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| 98 | S | C | 0.0000 | |
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| 100 | L | C | 0.0000 | |
| 101 | H | C | 0.0000 | |
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| 110 | R | C | -1.0886 | |
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| 112 | P | C | -2.0790 | |
| 113 | K | C | -2.8169 | |
| 114 | A | C | 0.0000 | |
| 115 | T | C | 0.0000 | |
| 116 | H | C | 0.0000 | |
| 117 | I | C | 0.0000 | |
| 118 | V | C | 0.0000 | |
| 119 | Q | C | 0.0000 | |
| 120 | R | C | -0.3959 | |
| 121 | N | C | -0.6341 | |
| 122 | E | C | 0.0000 | |
| 123 | Y | C | -0.3072 | |
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| 125 | Y | C | 0.0000 | |
| 126 | A | C | 0.0000 | |
| 127 | F | C | 0.0000 | |
| 128 | T | C | 0.0000 | |
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| 131 | W | C | 0.2095 | |
| 132 | F | C | 0.2418 | |
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| 135 | G | C | -0.0957 | |
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| 137 | Y | C | 0.0000 | |
| 138 | I | C | 0.0000 | |
| 139 | R | C | -1.6981 | |
| 140 | K | C | -2.2841 | |
| 141 | D | C | 0.0000 | |
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| 143 | D | C | -1.7747 | |
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| 147 | L | C | -0.9892 | |
| 148 | K | C | -1.2568 | |
| 149 | W | C | -0.3875 | |
| 150 | Q | C | -0.4043 | |
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| 152 | L | C | 0.0000 | |
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| 158 | Q | C | -1.0577 | |
| 159 | G | C | 0.0000 | |
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| 164 | G | C | -1.4101 | |
| 165 | D | C | -1.8370 | |
| 166 | G | C | -1.1847 | |
| 167 | V | C | 0.0000 | |
| 168 | I | C | 0.0000 | |
| 169 | R | C | -0.9577 | |
| 170 | M | C | 0.0000 | |
| 171 | F | C | 0.0000 | |
| 172 | Y | C | 0.0000 | |
| 173 | T | C | 0.0000 | |
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| 175 | G | C | 0.0000 | |
| 176 | H | C | 0.0000 | |
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| 180 | H | C | 0.0000 | |
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| 190 | A | C | -1.1607 | |
| 191 | E | C | -2.0044 | |
| 192 | K | C | -1.6136 | |
| 193 | Y | C | 0.0000 | |
| 194 | L | C | 0.0000 | |
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| 200 | A | C | 0.0000 | |
| 201 | Y | C | 0.0000 | |
| 202 | T | C | 0.0000 | |
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| 205 | H | C | 0.0000 | |
| 206 | W | C | 0.0000 | |
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| 209 | K | C | -2.2006 | |
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| 220 | D | C | -1.1258 | |
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| 255 | P | C | -0.5945 | |
| 256 | A | C | -0.4424 | |
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| 1 | I | D | -0.3141 | |
| 2 | R | D | -0.9781 | |
| 3 | L | D | 0.0000 | |
| 4 | Y | D | 0.0000 | |
| 5 | M | D | 0.0000 | |
| 6 | F | D | 0.0000 | |
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| 11 | L | D | 0.0000 | |
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| 13 | C | D | 0.0000 | |
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| 15 | T | D | -1.5518 | |
| 16 | N | D | 0.0000 | |
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| 18 | I | D | 0.0000 | |
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| 20 | M | D | -0.3413 | |
| 21 | N | D | -1.1862 | |
| 22 | A | D | -1.5453 | |
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| 26 | P | D | -1.3158 | |
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| 29 | I | D | 0.0000 | |
| 30 | P | D | 0.0000 | |
| 31 | V | D | 0.0000 | |
| 32 | P | D | 0.0000 | |
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| 35 | L | D | 0.0000 | |
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| 38 | H | D | 0.0000 | |
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| 42 | N | D | -0.9642 | |
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| 45 | I | D | 0.0000 | |
| 46 | D | D | 0.0000 | |
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| 49 | N | D | 0.0000 | |
| 50 | A | D | 0.0000 | |
| 51 | V | D | -0.9430 | |
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| 57 | P | D | -2.1437 | |
| 58 | E | D | -2.7622 | |
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| 60 | H | D | 0.0000 | |
| 61 | W | D | 0.0000 | |
| 62 | G | D | -1.4262 | |
| 63 | G | D | -0.7383 | |
| 64 | I | D | 0.0200 | |
| 65 | T | D | 0.0000 | |
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| 67 | V | D | 0.6145 | |
| 68 | Y | D | 0.0691 | |
| 69 | W | D | -0.2656 | |
| 70 | P | D | 0.0000 | |
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| 73 | T | D | -1.0315 | |
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| 75 | E | D | -2.5587 | |
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| 80 | A | D | -2.1105 | |
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| 84 | K | D | -2.6956 | |
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| 89 | K | D | -3.1067 | |
| 90 | D | D | -2.9722 | |
| 91 | S | D | -1.9287 | |
| 92 | V | D | 0.0000 | |
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| 94 | Y | D | 0.0000 | |
| 95 | V | D | 0.0000 | |
| 96 | L | D | 0.0000 | |
| 97 | Q | D | 0.0000 | |
| 98 | S | D | 0.0000 | |
| 99 | H | D | 0.0000 | |
| 100 | L | D | 0.0000 | |
| 101 | H | D | 0.0000 | |
| 102 | L | D | 0.0000 | |
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| 104 | H | D | 0.0000 | |
| 105 | T | D | 0.0000 | |
| 106 | G | D | 0.0000 | |
| 107 | A | D | 0.0000 | |
| 108 | I | D | 0.0000 | |
| 109 | G | D | -0.9617 | |
| 110 | R | D | -1.2427 | |
| 111 | F | D | 0.0000 | |
| 112 | P | D | -2.0904 | |
| 113 | K | D | -2.8253 | |
| 114 | A | D | 0.0000 | |
| 115 | T | D | 0.0000 | |
| 116 | H | D | 0.0000 | |
| 117 | I | D | 0.0000 | |
| 118 | V | D | 0.0000 | |
| 119 | Q | D | 0.0000 | |
| 120 | R | D | -0.4973 | |
| 121 | N | D | -0.6494 | |
| 122 | E | D | 0.0000 | |
| 123 | Y | D | -0.3375 | |
| 124 | E | D | -0.7881 | |
| 125 | Y | D | -0.3937 | |
| 126 | A | D | 0.0000 | |
| 127 | F | D | 0.0000 | |
| 128 | T | D | 0.0000 | |
| 129 | P | D | -0.1235 | |
| 130 | D | D | -0.2208 | |
| 131 | W | D | 0.0225 | |
| 132 | F | D | 0.1776 | |
| 133 | A | D | 0.0000 | |
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| 135 | G | D | -0.0913 | |
| 136 | G | D | -0.1328 | |
| 137 | Y | D | 0.0000 | |
| 138 | I | D | 0.0000 | |
| 139 | R | D | -1.7169 | |
| 140 | K | D | -2.3223 | |
| 141 | D | D | 0.0000 | |
| 142 | F | D | 0.0000 | |
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| 144 | K | D | -1.5380 | |
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| 149 | W | D | -0.3822 | |
| 150 | Q | D | -0.3576 | |
| 151 | F | D | 0.0065 | |
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| 156 | H | D | -1.5396 | |
| 157 | D | D | -1.1337 | |
| 158 | Q | D | -1.0127 | |
| 159 | G | D | 0.0000 | |
| 160 | Y | D | -0.5260 | |
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| 163 | Y | D | 0.0000 | |
| 164 | G | D | -1.3412 | |
| 165 | D | D | -1.7157 | |
| 166 | G | D | -1.1200 | |
| 167 | V | D | 0.0000 | |
| 168 | I | D | 0.0000 | |
| 169 | R | D | -0.9366 | |
| 170 | M | D | 0.0000 | |
| 171 | F | D | 0.0000 | |
| 172 | Y | D | 0.0000 | |
| 173 | T | D | 0.0000 | |
| 174 | P | D | -0.5124 | |
| 175 | G | D | 0.0000 | |
| 176 | H | D | 0.0000 | |
| 177 | A | D | 0.0000 | |
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| 180 | H | D | 0.0000 | |
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| 185 | V | D | 0.0000 | |
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| 189 | S | D | -1.0146 | |
| 190 | A | D | -1.1437 | |
| 191 | E | D | -1.9347 | |
| 192 | K | D | -1.5720 | |
| 193 | Y | D | 0.0000 | |
| 194 | L | D | 0.0000 | |
| 195 | L | D | 0.0000 | |
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| 201 | Y | D | 0.0000 | |
| 202 | T | D | 0.0000 | |
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| 205 | H | D | 0.0000 | |
| 206 | W | D | 0.0000 | |
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| 210 | A | D | -1.0710 | |
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| 214 | F | D | 0.3021 | |
| 215 | L | D | 0.0000 | |
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| 218 | T | D | 0.0000 | |
| 219 | V | D | -0.2712 | |
| 220 | D | D | -1.0017 | |
| 221 | T | D | 0.0000 | |
| 222 | V | D | 0.0000 | |
| 223 | R | D | -1.0695 | |
| 224 | S | D | 0.0000 | |
| 225 | V | D | 0.0000 | |
| 226 | Q | D | -1.2276 | |
| 227 | K | D | -0.9727 | |
| 228 | L | D | 0.0000 | |
| 229 | R | D | -1.2872 | |
| 230 | A | D | -1.0986 | |
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| 232 | A | D | -1.3950 | |
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| 234 | H | D | -1.4067 | |
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| 236 | E | D | -2.5104 | |
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| 238 | H | D | -1.1838 | |
| 239 | V | D | -0.1322 | |
| 240 | V | D | 0.0000 | |
| 241 | T | D | 0.0000 | |
| 242 | G | D | 0.0000 | |
| 243 | H | D | 0.0000 | |
| 244 | D | D | 0.0000 | |
| 245 | P | D | -1.1539 | |
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| 247 | A | D | -0.7971 | |
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| 249 | P | D | -1.0524 | |
| 250 | S | D | -0.9024 | |
| 251 | F | D | -0.6715 | |
| 252 | K | D | -1.5227 | |
| 253 | Q | D | -1.1871 | |
| 254 | A | D | -0.5643 | |
| 255 | P | D | -0.6438 | |
| 256 | A | D | -0.5072 | |
| 257 | Y | D | -0.5284 | |
| 258 | Y | D | -1.0526 | |
| 259 | D | D | -1.8045 | |
| 1 | I | E | -0.3744 | |
| 2 | R | E | -1.0875 | |
| 3 | L | E | 0.0000 | |
| 4 | Y | E | 0.0000 | |
| 5 | M | E | 0.0000 | |
| 6 | F | E | 0.0000 | |
| 7 | Q | E | -0.4885 | |
| 8 | S | E | 0.0000 | |
| 9 | G | E | 0.0000 | |
| 10 | T | E | -0.9672 | |
| 11 | L | E | 0.0000 | |
| 12 | K | E | -1.7073 | |
| 13 | C | E | 0.0000 | |
| 14 | K | E | -1.9188 | |
| 15 | T | E | -1.5776 | |
| 16 | N | E | 0.0000 | |
| 17 | N | E | -0.6703 | |
| 18 | I | E | 0.0000 | |
| 19 | K | E | -1.2211 | |
| 20 | M | E | -0.3612 | |
| 21 | N | E | -1.2644 | |
| 22 | A | E | -1.5470 | |
| 23 | D | E | -2.5581 | |
| 24 | P | E | -1.8982 | |
| 25 | A | E | -1.2014 | |
| 26 | P | E | -1.3358 | |
| 27 | Y | E | -1.2437 | |
| 28 | E | E | -1.8436 | |
| 29 | I | E | 0.0000 | |
| 30 | P | E | 0.0000 | |
| 31 | V | E | 0.0000 | |
| 32 | P | E | 0.0000 | |
| 33 | W | E | 0.0000 | |
| 34 | Y | E | 0.0000 | |
| 35 | L | E | 0.0000 | |
| 36 | I | E | 0.0000 | |
| 37 | T | E | -0.5124 | |
| 38 | H | E | 0.0000 | |
| 39 | P | E | -0.7879 | |
| 40 | K | E | -1.4439 | |
| 41 | G | E | -1.3690 | |
| 42 | N | E | -0.9687 | |
| 43 | V | E | 0.0000 | |
| 44 | V | E | 0.0000 | |
| 45 | I | E | 0.0000 | |
| 46 | D | E | 0.0000 | |
| 47 | G | E | 0.0000 | |
| 48 | G | E | 0.0000 | |
| 49 | N | E | 0.0000 | |
| 50 | A | E | 0.0000 | |
| 51 | V | E | -0.6908 | |
| 52 | E | E | -1.3343 | |
| 53 | C | E | 0.0000 | |
| 54 | A | E | -1.2617 | |
| 55 | T | E | -1.4942 | |
| 56 | D | E | -2.6183 | |
| 57 | P | E | -2.1680 | |
| 58 | E | E | -2.7586 | |
| 59 | G | E | -2.1908 | |
| 60 | H | E | -1.8356 | |
| 61 | W | E | 0.0000 | |
| 62 | G | E | -1.4402 | |
| 63 | G | E | -0.7180 | |
| 64 | I | E | 0.0726 | |
| 65 | T | E | 0.0000 | |
| 66 | T | E | 0.1163 | |
| 67 | V | E | 0.6503 | |
| 68 | Y | E | 0.0501 | |
| 69 | W | E | -0.3228 | |
| 70 | P | E | 0.0000 | |
| 71 | D | E | -1.5331 | |
| 72 | M | E | 0.0000 | |
| 73 | T | E | -1.1481 | |
| 74 | P | E | -1.3225 | |
| 75 | E | E | -2.4991 | |
| 76 | Q | E | -1.5637 | |
| 77 | G | E | 0.0000 | |
| 78 | V | E | 0.0000 | |
| 79 | E | E | -1.5594 | |
| 80 | A | E | -1.7922 | |
| 81 | Q | E | -1.8497 | |
| 82 | L | E | 0.0000 | |
| 83 | Q | E | -2.5732 | |
| 84 | K | E | -2.5905 | |
| 85 | L | E | -1.1476 | |
| 86 | G | E | -1.3156 | |
| 87 | I | E | -1.2206 | |
| 88 | A | E | -1.6669 | |
| 89 | K | E | -2.9282 | |
| 90 | D | E | -3.1098 | |
| 91 | S | E | -1.9809 | |
| 92 | V | E | 0.0000 | |
| 93 | R | E | -1.6963 | |
| 94 | Y | E | 0.0000 | |
| 95 | V | E | 0.0000 | |
| 96 | L | E | 0.0000 | |
| 97 | Q | E | 0.0000 | |
| 98 | S | E | 0.0000 | |
| 99 | H | E | 0.0000 | |
| 100 | L | E | 0.0000 | |
| 101 | H | E | 0.0000 | |
| 102 | L | E | 0.0000 | |
| 103 | D | E | 0.0000 | |
| 104 | H | E | 0.0000 | |
| 105 | T | E | 0.0000 | |
| 106 | G | E | 0.0000 | |
| 107 | A | E | 0.0000 | |
| 108 | I | E | 0.0000 | |
| 109 | G | E | -0.9505 | |
| 110 | R | E | -1.1023 | |
| 111 | F | E | 0.0000 | |
| 112 | P | E | -2.1153 | |
| 113 | K | E | -2.8691 | |
| 114 | A | E | 0.0000 | |
| 115 | T | E | 0.0000 | |
| 116 | H | E | 0.0000 | |
| 117 | I | E | 0.0000 | |
| 118 | V | E | 0.0000 | |
| 119 | Q | E | 0.0000 | |
| 120 | R | E | -0.4543 | |
| 121 | N | E | -0.6116 | |
| 122 | E | E | 0.0000 | |
| 123 | Y | E | -0.2615 | |
| 124 | E | E | -0.6714 | |
| 125 | Y | E | -0.3295 | |
| 126 | A | E | 0.0000 | |
| 127 | F | E | 0.0000 | |
| 128 | T | E | 0.0000 | |
| 129 | P | E | -0.0926 | |
| 130 | D | E | -0.1607 | |
| 131 | W | E | 0.0470 | |
| 132 | F | E | 0.1907 | |
| 133 | A | E | 0.0000 | |
| 134 | A | E | 0.0978 | |
| 135 | G | E | -0.0689 | |
| 136 | G | E | -0.1193 | |
| 137 | Y | E | 0.0000 | |
| 138 | I | E | 0.0000 | |
| 139 | R | E | -1.6762 | |
| 140 | K | E | -2.2564 | |
| 141 | D | E | 0.0000 | |
| 142 | F | E | 0.0000 | |
| 143 | D | E | -1.7747 | |
| 144 | K | E | -1.4855 | |
| 145 | P | E | -0.9578 | |
| 146 | G | E | -0.9125 | |
| 147 | L | E | -1.0162 | |
| 148 | K | E | -1.3115 | |
| 149 | W | E | -0.3175 | |
| 150 | Q | E | -0.3909 | |
| 151 | F | E | -0.0376 | |
| 152 | L | E | 0.0000 | |
| 153 | A | E | -0.6850 | |
| 154 | D | E | -0.9634 | |
| 155 | E | E | -1.3726 | |
| 156 | H | E | -1.5414 | |
| 157 | D | E | -1.1216 | |
| 158 | Q | E | -1.0129 | |
| 159 | G | E | 0.0000 | |
| 160 | Y | E | -0.5029 | |
| 161 | D | E | -1.0151 | |
| 162 | L | E | 0.0000 | |
| 163 | Y | E | -0.9971 | |
| 164 | G | E | -1.2828 | |
| 165 | D | E | -1.6737 | |
| 166 | G | E | -1.0899 | |
| 167 | V | E | 0.0000 | |
| 168 | I | E | 0.0000 | |
| 169 | R | E | -0.9220 | |
| 170 | M | E | 0.0000 | |
| 171 | F | E | 0.0000 | |
| 172 | Y | E | -0.3799 | |
| 173 | T | E | 0.0000 | |
| 174 | P | E | -0.4822 | |
| 175 | G | E | 0.0000 | |
| 176 | H | E | 0.0000 | |
| 177 | A | E | 0.0000 | |
| 178 | P | E | -0.3047 | |
| 179 | G | E | 0.0000 | |
| 180 | H | E | 0.0000 | |
| 181 | Q | E | 0.0000 | |
| 182 | S | E | 0.0000 | |
| 183 | F | E | 0.0000 | |
| 184 | L | E | 0.0000 | |
| 185 | V | E | 0.0000 | |
| 186 | S | E | -1.0661 | |
| 187 | L | E | 0.0000 | |
| 188 | P | E | -1.0257 | |
| 189 | S | E | -1.0689 | |
| 190 | A | E | -1.1585 | |
| 191 | E | E | -2.0095 | |
| 192 | K | E | -1.6297 | |
| 193 | Y | E | 0.0000 | |
| 194 | L | E | 0.0000 | |
| 195 | L | E | 0.0000 | |
| 196 | A | E | 0.0000 | |
| 197 | V | E | 0.0000 | |
| 198 | D | E | 0.0000 | |
| 199 | A | E | 0.0000 | |
| 200 | A | E | 0.0000 | |
| 201 | Y | E | 0.0000 | |
| 202 | T | E | 0.0000 | |
| 203 | V | E | -0.8048 | |
| 204 | D | E | -2.4605 | |
| 205 | H | E | 0.0000 | |
| 206 | W | E | 0.0000 | |
| 207 | E | E | -2.4263 | |
| 208 | E | E | -1.9308 | |
| 209 | K | E | -2.6218 | |
| 210 | A | E | -1.5012 | |
| 211 | L | E | -0.4784 | |
| 212 | P | E | 0.0000 | |
| 213 | G | E | 0.0000 | |
| 214 | F | E | 0.3361 | |
| 215 | L | E | 0.0000 | |
| 216 | A | E | 0.0000 | |
| 217 | S | E | -0.2563 | |
| 218 | T | E | 0.0000 | |
| 219 | V | E | -0.3403 | |
| 220 | D | E | -1.0853 | |
| 221 | T | E | 0.0000 | |
| 222 | V | E | 0.0000 | |
| 223 | R | E | -1.2728 | |
| 224 | S | E | 0.0000 | |
| 225 | V | E | 0.0000 | |
| 226 | Q | E | -1.5181 | |
| 227 | K | E | -1.1868 | |
| 228 | L | E | 0.0000 | |
| 229 | R | E | -1.5343 | |
| 230 | A | E | -1.2199 | |
| 231 | L | E | -0.9836 | |
| 232 | A | E | -1.4654 | |
| 233 | E | E | -1.7319 | |
| 234 | H | E | -1.4086 | |
| 235 | E | E | -1.7795 | |
| 236 | E | E | -2.5170 | |
| 237 | A | E | -1.7437 | |
| 238 | H | E | -1.1903 | |
| 239 | V | E | -0.1556 | |
| 240 | V | E | 0.0000 | |
| 241 | T | E | 0.0000 | |
| 242 | G | E | 0.0000 | |
| 243 | H | E | 0.0000 | |
| 244 | D | E | 0.0000 | |
| 245 | P | E | -1.1171 | |
| 246 | D | E | -1.7972 | |
| 247 | A | E | -0.8032 | |
| 248 | W | E | 0.0000 | |
| 249 | P | E | -1.0355 | |
| 250 | S | E | -0.8822 | |
| 251 | F | E | -0.6227 | |
| 252 | K | E | -1.4221 | |
| 253 | Q | E | -1.1126 | |
| 254 | A | E | -0.5014 | |
| 255 | P | E | -0.5914 | |
| 256 | A | E | -0.4368 | |
| 257 | Y | E | -0.4953 | |
| 258 | Y | E | -1.1646 | |
| 259 | D | E | -2.0883 | |
| 1 | I | F | -0.4116 | |
| 2 | R | F | -1.0938 | |
| 3 | L | F | 0.0000 | |
| 4 | Y | F | 0.0000 | |
| 5 | M | F | 0.0000 | |
| 6 | F | F | 0.0000 | |
| 7 | Q | F | -0.5300 | |
| 8 | S | F | 0.0000 | |
| 9 | G | F | 0.0000 | |
| 10 | T | F | -0.9659 | |
| 11 | L | F | 0.0000 | |
| 12 | K | F | -1.6318 | |
| 13 | C | F | -0.9227 | |
| 14 | K | F | -1.7794 | |
| 15 | T | F | -1.5021 | |
| 16 | N | F | 0.0000 | |
| 17 | N | F | -0.6351 | |
| 18 | I | F | 0.0000 | |
| 19 | K | F | -1.1813 | |
| 20 | M | F | -0.3826 | |
| 21 | N | F | -1.2695 | |
| 22 | A | F | -1.5492 | |
| 23 | D | F | -2.5518 | |
| 24 | P | F | -1.8536 | |
| 25 | A | F | -1.1499 | |
| 26 | P | F | -1.2391 | |
| 27 | Y | F | -1.0880 | |
| 28 | E | F | -1.7318 | |
| 29 | I | F | 0.0000 | |
| 30 | P | F | 0.0000 | |
| 31 | V | F | 0.0000 | |
| 32 | P | F | 0.0000 | |
| 33 | W | F | 0.0000 | |
| 34 | Y | F | 0.0000 | |
| 35 | L | F | 0.0000 | |
| 36 | I | F | 0.0000 | |
| 37 | T | F | -0.5382 | |
| 38 | H | F | 0.0000 | |
| 39 | P | F | -0.8783 | |
| 40 | K | F | -1.6606 | |
| 41 | G | F | -1.4424 | |
| 42 | N | F | -0.9834 | |
| 43 | V | F | 0.0000 | |
| 44 | V | F | 0.0000 | |
| 45 | I | F | 0.0000 | |
| 46 | D | F | 0.0000 | |
| 47 | G | F | 0.0000 | |
| 48 | G | F | 0.0000 | |
| 49 | N | F | 0.0000 | |
| 50 | A | F | 0.0000 | |
| 51 | V | F | -0.7020 | |
| 52 | E | F | -1.3159 | |
| 53 | C | F | 0.0000 | |
| 54 | A | F | -1.2629 | |
| 55 | T | F | -1.4895 | |
| 56 | D | F | -2.6054 | |
| 57 | P | F | -2.1682 | |
| 58 | E | F | -2.7593 | |
| 59 | G | F | -2.1853 | |
| 60 | H | F | -1.8447 | |
| 61 | W | F | 0.0000 | |
| 62 | G | F | -1.4557 | |
| 63 | G | F | -0.7434 | |
| 64 | I | F | 0.0198 | |
| 65 | T | F | 0.0000 | |
| 66 | T | F | 0.0973 | |
| 67 | V | F | 0.6388 | |
| 68 | Y | F | 0.0756 | |
| 69 | W | F | -0.3201 | |
| 70 | P | F | 0.0000 | |
| 71 | D | F | -1.5552 | |
| 72 | M | F | 0.0000 | |
| 73 | T | F | -1.1513 | |
| 74 | P | F | -1.3182 | |
| 75 | E | F | -2.4967 | |
| 76 | Q | F | -1.5742 | |
| 77 | G | F | 0.0000 | |
| 78 | V | F | 0.0000 | |
| 79 | E | F | -1.5510 | |
| 80 | A | F | -1.7871 | |
| 81 | Q | F | -1.8488 | |
| 82 | L | F | 0.0000 | |
| 83 | Q | F | -2.5753 | |
| 84 | K | F | -2.5895 | |
| 85 | L | F | -1.1511 | |
| 86 | G | F | -1.3254 | |
| 87 | I | F | -1.2099 | |
| 88 | A | F | -1.6325 | |
| 89 | K | F | -2.8580 | |
| 90 | D | F | -2.9460 | |
| 91 | S | F | -1.9213 | |
| 92 | V | F | 0.0000 | |
| 93 | R | F | -1.6745 | |
| 94 | Y | F | 0.0000 | |
| 95 | V | F | 0.0000 | |
| 96 | L | F | 0.0000 | |
| 97 | Q | F | 0.0000 | |
| 98 | S | F | 0.0000 | |
| 99 | H | F | 0.0000 | |
| 100 | L | F | 0.0000 | |
| 101 | H | F | 0.0000 | |
| 102 | L | F | 0.0000 | |
| 103 | D | F | 0.0000 | |
| 104 | H | F | 0.0000 | |
| 105 | T | F | 0.0000 | |
| 106 | G | F | 0.0000 | |
| 107 | A | F | 0.0000 | |
| 108 | I | F | 0.0000 | |
| 109 | G | F | -0.9488 | |
| 110 | R | F | -1.0911 | |
| 111 | F | F | 0.0000 | |
| 112 | P | F | -2.0688 | |
| 113 | K | F | -2.8112 | |
| 114 | A | F | 0.0000 | |
| 115 | T | F | 0.0000 | |
| 116 | H | F | 0.0000 | |
| 117 | I | F | 0.0000 | |
| 118 | V | F | 0.0000 | |
| 119 | Q | F | 0.0000 | |
| 120 | R | F | -0.3681 | |
| 121 | N | F | -0.5996 | |
| 122 | E | F | 0.0000 | |
| 123 | Y | F | -0.2826 | |
| 124 | E | F | -0.7067 | |
| 125 | Y | F | 0.0000 | |
| 126 | A | F | 0.0000 | |
| 127 | F | F | 0.0000 | |
| 128 | T | F | 0.0000 | |
| 129 | P | F | -0.1221 | |
| 130 | D | F | -0.0919 | |
| 131 | W | F | 0.1932 | |
| 132 | F | F | 0.2098 | |
| 133 | A | F | 0.0000 | |
| 134 | A | F | 0.0946 | |
| 135 | G | F | -0.0805 | |
| 136 | G | F | -0.1395 | |
| 137 | Y | F | 0.0000 | |
| 138 | I | F | 0.0000 | |
| 139 | R | F | -1.7199 | |
| 140 | K | F | -2.3280 | |
| 141 | D | F | 0.0000 | |
| 142 | F | F | 0.0000 | |
| 143 | D | F | -1.7891 | |
| 144 | K | F | -1.4902 | |
| 145 | P | F | -0.9475 | |
| 146 | G | F | -0.9038 | |
| 147 | L | F | -1.0017 | |
| 148 | K | F | -1.2846 | |
| 149 | W | F | -0.3587 | |
| 150 | Q | F | -0.3449 | |
| 151 | F | F | 0.0574 | |
| 152 | L | F | 0.0000 | |
| 153 | A | F | -0.5979 | |
| 154 | D | F | -0.8971 | |
| 155 | E | F | -1.2946 | |
| 156 | H | F | -1.4486 | |
| 157 | D | F | -0.9633 | |
| 158 | Q | F | -0.9157 | |
| 159 | G | F | 0.0000 | |
| 160 | Y | F | -0.4712 | |
| 161 | D | F | -1.0402 | |
| 162 | L | F | 0.0000 | |
| 163 | Y | F | 0.0000 | |
| 164 | G | F | -1.3704 | |
| 165 | D | F | -1.7754 | |
| 166 | G | F | -1.1436 | |
| 167 | V | F | 0.0000 | |
| 168 | I | F | 0.0000 | |
| 169 | R | F | -0.9310 | |
| 170 | M | F | 0.0000 | |
| 171 | F | F | 0.0000 | |
| 172 | Y | F | 0.0000 | |
| 173 | T | F | 0.0000 | |
| 174 | P | F | -0.5168 | |
| 175 | G | F | 0.0000 | |
| 176 | H | F | 0.0000 | |
| 177 | A | F | 0.0000 | |
| 178 | P | F | -0.3004 | |
| 179 | G | F | 0.0000 | |
| 180 | H | F | 0.0000 | |
| 181 | Q | F | 0.0000 | |
| 182 | S | F | 0.0000 | |
| 183 | F | F | 0.0000 | |
| 184 | L | F | 0.0000 | |
| 185 | V | F | 0.0000 | |
| 186 | S | F | -1.0459 | |
| 187 | L | F | 0.0000 | |
| 188 | P | F | -1.0210 | |
| 189 | S | F | -1.0750 | |
| 190 | A | F | -1.1389 | |
| 191 | E | F | -1.9570 | |
| 192 | K | F | -1.5798 | |
| 193 | Y | F | 0.0000 | |
| 194 | L | F | 0.0000 | |
| 195 | L | F | 0.0000 | |
| 196 | A | F | 0.0000 | |
| 197 | V | F | 0.0000 | |
| 198 | D | F | 0.0000 | |
| 199 | A | F | 0.0000 | |
| 200 | A | F | 0.0000 | |
| 201 | Y | F | 0.0000 | |
| 202 | T | F | 0.0000 | |
| 203 | V | F | -0.4792 | |
| 204 | D | F | -1.8588 | |
| 205 | H | F | 0.0000 | |
| 206 | W | F | -1.0445 | |
| 207 | E | F | -2.1520 | |
| 208 | E | F | -1.7698 | |
| 209 | K | F | -2.4228 | |
| 210 | A | F | -1.3246 | |
| 211 | L | F | -0.3927 | |
| 212 | P | F | 0.0000 | |
| 213 | G | F | 0.0000 | |
| 214 | F | F | 0.2962 | |
| 215 | L | F | 0.0000 | |
| 216 | A | F | 0.0000 | |
| 217 | S | F | -0.2154 | |
| 218 | T | F | 0.0000 | |
| 219 | V | F | -0.3737 | |
| 220 | D | F | -1.0184 | |
| 221 | T | F | 0.0000 | |
| 222 | V | F | 0.0000 | |
| 223 | R | F | -1.7376 | |
| 224 | S | F | 0.0000 | |
| 225 | V | F | 0.0000 | |
| 226 | Q | F | -1.5822 | |
| 227 | K | F | -1.2541 | |
| 228 | L | F | 0.0000 | |
| 229 | R | F | -1.4603 | |
| 230 | A | F | -1.1588 | |
| 231 | L | F | -0.9422 | |
| 232 | A | F | -1.4371 | |
| 233 | E | F | -1.7306 | |
| 234 | H | F | -1.4133 | |
| 235 | E | F | -1.7688 | |
| 236 | E | F | -2.5181 | |
| 237 | A | F | -1.7455 | |
| 238 | H | F | -1.2421 | |
| 239 | V | F | -0.1479 | |
| 240 | V | F | 0.0000 | |
| 241 | T | F | 0.0000 | |
| 242 | G | F | 0.0000 | |
| 243 | H | F | 0.0000 | |
| 244 | D | F | 0.0000 | |
| 245 | P | F | -1.0964 | |
| 246 | D | F | -1.7954 | |
| 247 | A | F | -0.8001 | |
| 248 | W | F | 0.0000 | |
| 249 | P | F | -1.0205 | |
| 250 | S | F | -0.8636 | |
| 251 | F | F | -0.5947 | |
| 252 | K | F | -1.3620 | |
| 253 | Q | F | -1.1048 | |
| 254 | A | F | -0.5180 | |
| 255 | P | F | -0.6098 | |
| 256 | A | F | -0.4652 | |
| 257 | Y | F | -0.5523 | |
| 258 | Y | F | -1.1438 | |
| 259 | D | F | -2.0622 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.3317 | 1.3415 | View | CSV | PDB |
| 4.5 | -0.3908 | 1.2859 | View | CSV | PDB |
| 5.0 | -0.4628 | 1.2926 | View | CSV | PDB |
| 5.5 | -0.5357 | 1.3114 | View | CSV | PDB |
| 6.0 | -0.596 | 1.3555 | View | CSV | PDB |
| 6.5 | -0.6329 | 1.4335 | View | CSV | PDB |
| 7.0 | -0.645 | 1.5377 | View | CSV | PDB |
| 7.5 | -0.6403 | 1.6547 | View | CSV | PDB |
| 8.0 | -0.6263 | 1.7763 | View | CSV | PDB |
| 8.5 | -0.6044 | 1.8992 | View | CSV | PDB |
| 9.0 | -0.5731 | 2.0213 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine