| Chain sequence(s) |
A: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLPGGEHETVYTLEGGEGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD
C: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLPGGEHETVYTLEGGEGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD B: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLPGGEHETVYTLEGGEGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD E: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLPGGEHETVYTLEGGEGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD D: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLPGGEHETVYTLEGGEGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD F: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLPGGEHETVYTLEGGEGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:08)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:38:23)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/bd60870ef7a2293/tmp/folded.pdb (00:38:23)
[INFO] Main: Simulation completed successfully. (01:06:09)
|
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 | -0.7939 | |
| 2 | R | A | -1.2090 | |
| 3 | L | A | 0.0000 | |
| 4 | Y | A | 0.0000 | |
| 5 | M | A | 0.0000 | |
| 6 | F | A | 0.0000 | |
| 7 | Q | A | -0.6158 | |
| 8 | S | A | 0.0000 | |
| 9 | G | A | 0.0000 | |
| 10 | T | A | -0.9479 | |
| 11 | L | A | 0.0000 | |
| 12 | K | A | -1.7066 | |
| 13 | C | A | 0.0000 | |
| 14 | K | A | -1.8916 | |
| 15 | T | A | -1.4996 | |
| 16 | N | A | 0.0000 | |
| 17 | N | A | -0.6992 | |
| 18 | I | A | 0.0000 | |
| 19 | K | A | -1.1257 | |
| 20 | M | A | -0.3354 | |
| 21 | N | A | -1.2262 | |
| 22 | A | A | -1.5195 | |
| 23 | D | A | -2.5243 | |
| 24 | P | A | -1.8161 | |
| 25 | A | A | -0.9853 | |
| 26 | P | A | -1.2693 | |
| 27 | Y | A | -1.1748 | |
| 28 | E | A | -1.8459 | |
| 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 | -0.5987 | |
| 38 | H | A | 0.0000 | |
| 39 | P | A | -1.2050 | |
| 40 | K | A | -2.0720 | |
| 41 | G | A | 0.0000 | |
| 42 | N | A | 0.0000 | |
| 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 | -0.6207 | |
| 52 | E | A | -1.2586 | |
| 53 | C | A | 0.0000 | |
| 54 | A | A | -1.1546 | |
| 55 | T | A | -1.3384 | |
| 56 | D | A | -2.6334 | |
| 57 | P | A | -2.1534 | |
| 58 | E | A | -2.7625 | |
| 59 | G | A | -2.1821 | |
| 60 | H | A | -1.9167 | |
| 61 | W | A | 0.0000 | |
| 62 | G | A | -1.4390 | |
| 63 | G | A | -0.8330 | |
| 64 | I | A | -0.0496 | |
| 65 | T | A | 0.0000 | |
| 66 | T | A | -0.0125 | |
| 67 | V | A | 0.3927 | |
| 68 | Y | A | 0.0000 | |
| 69 | W | A | -0.3940 | |
| 70 | P | A | 0.0000 | |
| 71 | D | A | -1.4770 | |
| 72 | M | A | -0.9066 | |
| 73 | T | A | -0.9618 | |
| 74 | P | A | -1.1080 | |
| 75 | E | A | -2.2107 | |
| 76 | Q | A | -1.4023 | |
| 77 | G | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | E | A | -1.4163 | |
| 80 | A | A | -1.7160 | |
| 81 | Q | A | -1.8282 | |
| 82 | L | A | 0.0000 | |
| 83 | Q | A | -2.4955 | |
| 84 | K | A | -2.5895 | |
| 85 | L | A | -1.1982 | |
| 86 | G | A | -1.3043 | |
| 87 | I | A | -1.1356 | |
| 88 | A | A | -1.4826 | |
| 89 | K | A | -2.6111 | |
| 90 | D | A | -3.0349 | |
| 91 | S | A | -2.1193 | |
| 92 | V | A | 0.0000 | |
| 93 | R | A | -2.3788 | |
| 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 | -1.0430 | |
| 110 | R | A | -1.0214 | |
| 111 | F | A | 0.0000 | |
| 112 | P | A | -2.2182 | |
| 113 | K | A | -3.1002 | |
| 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 | -0.4592 | |
| 121 | N | A | -0.8941 | |
| 122 | E | A | 0.0000 | |
| 123 | Y | A | -0.2902 | |
| 124 | E | A | -0.6088 | |
| 125 | Y | A | -0.3181 | |
| 126 | A | A | 0.0000 | |
| 127 | F | A | 0.0000 | |
| 128 | T | A | 0.0000 | |
| 129 | P | A | -0.0255 | |
| 130 | D | A | -0.0830 | |
| 131 | W | A | 0.3557 | |
| 132 | F | A | 0.2561 | |
| 133 | A | A | 0.0000 | |
| 134 | A | A | 0.0696 | |
| 135 | G | A | -0.1306 | |
| 136 | G | A | 0.0000 | |
| 137 | Y | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | R | A | -1.7529 | |
| 140 | K | A | -2.3472 | |
| 141 | D | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | D | A | -1.8572 | |
| 144 | K | A | -1.5341 | |
| 145 | P | A | -1.0448 | |
| 146 | G | A | -1.0773 | |
| 147 | L | A | -1.3321 | |
| 148 | K | A | -1.9209 | |
| 149 | W | A | -0.6375 | |
| 150 | Q | A | -0.5306 | |
| 151 | F | A | 0.0430 | |
| 152 | L | A | 0.0000 | |
| 153 | P | A | -1.1446 | |
| 154 | G | A | -1.3663 | |
| 155 | G | A | -1.8319 | |
| 156 | E | A | -2.4949 | |
| 157 | H | A | -2.0168 | |
| 158 | E | A | -0.9716 | |
| 159 | T | A | 0.2985 | |
| 160 | V | A | 1.4785 | |
| 161 | Y | A | 0.0000 | |
| 162 | T | A | -0.0035 | |
| 163 | L | A | 0.0000 | |
| 164 | E | A | 0.0000 | |
| 165 | G | A | -1.6390 | |
| 166 | G | A | -1.2498 | |
| 167 | E | A | -1.6110 | |
| 168 | G | A | 0.0000 | |
| 169 | V | A | 0.2173 | |
| 170 | I | A | 0.0000 | |
| 171 | R | A | 0.2958 | |
| 172 | M | A | 0.0000 | |
| 173 | F | A | 0.0000 | |
| 174 | Y | A | -0.9354 | |
| 175 | T | A | 0.0000 | |
| 176 | P | A | -0.6454 | |
| 177 | G | A | 0.0000 | |
| 178 | H | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | P | A | -0.3525 | |
| 181 | G | A | 0.0000 | |
| 182 | H | A | 0.0000 | |
| 183 | Q | A | 0.0000 | |
| 184 | S | A | 0.0000 | |
| 185 | F | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | V | A | 0.0000 | |
| 188 | S | A | -0.9210 | |
| 189 | L | A | 0.0000 | |
| 190 | P | A | -1.3349 | |
| 191 | S | A | -1.1029 | |
| 192 | A | A | -0.9695 | |
| 193 | E | A | -2.0075 | |
| 194 | K | A | -1.5608 | |
| 195 | Y | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | L | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | A | A | 0.0000 | |
| 203 | Y | A | 0.0000 | |
| 204 | T | A | 0.0000 | |
| 205 | V | A | -0.3007 | |
| 206 | D | A | -1.4990 | |
| 207 | H | A | 0.0000 | |
| 208 | W | A | -0.7703 | |
| 209 | E | A | -1.7606 | |
| 210 | E | A | -1.5809 | |
| 211 | K | A | -2.3096 | |
| 212 | A | A | -1.2148 | |
| 213 | L | A | -0.3299 | |
| 214 | P | A | 0.0000 | |
| 215 | G | A | 0.0000 | |
| 216 | F | A | 0.3271 | |
| 217 | L | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | S | A | -0.2604 | |
| 220 | T | A | 0.0000 | |
| 221 | V | A | -0.3282 | |
| 222 | D | A | -1.0460 | |
| 223 | T | A | 0.0000 | |
| 224 | V | A | 0.0000 | |
| 225 | R | A | -1.1571 | |
| 226 | S | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | Q | A | -1.0746 | |
| 229 | K | A | -0.8985 | |
| 230 | L | A | 0.0000 | |
| 231 | R | A | -1.3041 | |
| 232 | A | A | -1.2598 | |
| 233 | L | A | -1.2090 | |
| 234 | A | A | 0.0000 | |
| 235 | E | A | -2.7690 | |
| 236 | H | A | -1.8673 | |
| 237 | E | A | -2.1825 | |
| 238 | E | A | -3.0267 | |
| 239 | A | A | -1.9674 | |
| 240 | H | A | -1.3066 | |
| 241 | V | A | -0.2837 | |
| 242 | V | A | 0.0000 | |
| 243 | T | A | 0.0000 | |
| 244 | G | A | 0.0000 | |
| 245 | H | A | 0.0000 | |
| 246 | D | A | 0.0000 | |
| 247 | P | A | -1.1202 | |
| 248 | D | A | -1.7943 | |
| 249 | A | A | -0.7851 | |
| 250 | W | A | 0.0000 | |
| 251 | P | A | -1.0859 | |
| 252 | S | A | -0.8862 | |
| 253 | F | A | -0.6557 | |
| 254 | K | A | -1.5951 | |
| 255 | Q | A | -1.7609 | |
| 256 | A | A | 0.0000 | |
| 257 | P | A | -0.8006 | |
| 258 | A | A | -0.6462 | |
| 259 | Y | A | -0.6912 | |
| 260 | Y | A | -1.2499 | |
| 261 | D | A | -2.1638 | |
| 1 | I | B | -0.8077 | |
| 2 | R | B | -1.2114 | |
| 3 | L | B | 0.0000 | |
| 4 | Y | B | 0.0000 | |
| 5 | M | B | 0.0000 | |
| 6 | F | B | 0.0000 | |
| 7 | Q | B | -0.6767 | |
| 8 | S | B | 0.0000 | |
| 9 | G | B | 0.0000 | |
| 10 | T | B | -0.9711 | |
| 11 | L | B | 0.0000 | |
| 12 | K | B | -1.7251 | |
| 13 | C | B | -1.0926 | |
| 14 | K | B | -1.9085 | |
| 15 | T | B | -1.5404 | |
| 16 | N | B | 0.0000 | |
| 17 | N | B | -0.7117 | |
| 18 | I | B | 0.0000 | |
| 19 | K | B | -1.1548 | |
| 20 | M | B | -0.3480 | |
| 21 | N | B | -1.2381 | |
| 22 | A | B | -1.5324 | |
| 23 | D | B | -2.5336 | |
| 24 | P | B | -1.8278 | |
| 25 | A | B | -0.9964 | |
| 26 | P | B | -1.3073 | |
| 27 | Y | B | -1.2567 | |
| 28 | E | B | -1.9956 | |
| 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 | -0.6133 | |
| 38 | H | B | 0.0000 | |
| 39 | P | B | -1.2448 | |
| 40 | K | B | -2.0095 | |
| 41 | G | B | -1.5713 | |
| 42 | N | B | 0.0000 | |
| 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 | -0.5096 | |
| 52 | E | B | -1.1972 | |
| 53 | C | B | 0.0000 | |
| 54 | A | B | -1.0957 | |
| 55 | T | B | -1.3034 | |
| 56 | D | B | -2.5936 | |
| 57 | P | B | -2.1213 | |
| 58 | E | B | -2.7546 | |
| 59 | G | B | -2.1742 | |
| 60 | H | B | -1.8968 | |
| 61 | W | B | 0.0000 | |
| 62 | G | B | -1.4314 | |
| 63 | G | B | -0.8243 | |
| 64 | I | B | -0.0381 | |
| 65 | T | B | 0.0000 | |
| 66 | T | B | 0.0141 | |
| 67 | V | B | 0.4370 | |
| 68 | Y | B | 0.0000 | |
| 69 | W | B | -0.3845 | |
| 70 | P | B | 0.0000 | |
| 71 | D | B | -1.4425 | |
| 72 | M | B | -0.8649 | |
| 73 | T | B | -0.9205 | |
| 74 | P | B | -1.0649 | |
| 75 | E | B | -2.1628 | |
| 76 | Q | B | -1.3910 | |
| 77 | G | B | 0.0000 | |
| 78 | V | B | 0.0000 | |
| 79 | E | B | -1.4006 | |
| 80 | A | B | -1.7106 | |
| 81 | Q | B | -1.8290 | |
| 82 | L | B | 0.0000 | |
| 83 | Q | B | -2.4481 | |
| 84 | K | B | -2.5654 | |
| 85 | L | B | -1.1512 | |
| 86 | G | B | -1.2522 | |
| 87 | I | B | -1.0687 | |
| 88 | A | B | -1.3700 | |
| 89 | K | B | -2.3071 | |
| 90 | D | B | -2.8111 | |
| 91 | S | B | -1.8982 | |
| 92 | V | B | 0.0000 | |
| 93 | R | B | -1.7910 | |
| 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 | -1.0177 | |
| 110 | R | B | -0.9534 | |
| 111 | F | B | 0.0000 | |
| 112 | P | B | -2.0771 | |
| 113 | K | B | -2.8945 | |
| 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 | -0.3677 | |
| 121 | N | B | -0.6359 | |
| 122 | E | B | 0.0000 | |
| 123 | Y | B | -0.2918 | |
| 124 | E | B | -0.6825 | |
| 125 | Y | B | 0.0000 | |
| 126 | A | B | 0.0000 | |
| 127 | F | B | 0.0000 | |
| 128 | T | B | 0.0000 | |
| 129 | P | B | -0.0631 | |
| 130 | D | B | -0.0675 | |
| 131 | W | B | 0.3866 | |
| 132 | F | B | 0.2765 | |
| 133 | A | B | 0.0000 | |
| 134 | A | B | 0.0646 | |
| 135 | G | B | -0.1222 | |
| 136 | G | B | 0.0000 | |
| 137 | Y | B | 0.0000 | |
| 138 | I | B | 0.0000 | |
| 139 | R | B | -1.7093 | |
| 140 | K | B | -2.3181 | |
| 141 | D | B | 0.0000 | |
| 142 | F | B | 0.0000 | |
| 143 | D | B | -1.7965 | |
| 144 | K | B | -1.5019 | |
| 145 | P | B | -1.0310 | |
| 146 | G | B | -1.0697 | |
| 147 | L | B | -1.3258 | |
| 148 | K | B | -1.9389 | |
| 149 | W | B | -0.6578 | |
| 150 | Q | B | -0.6036 | |
| 151 | F | B | 0.0727 | |
| 152 | L | B | 0.0000 | |
| 153 | P | B | -1.0149 | |
| 154 | G | B | -1.1436 | |
| 155 | G | B | -1.7075 | |
| 156 | E | B | -2.3989 | |
| 157 | H | B | -1.8542 | |
| 158 | E | B | -1.2651 | |
| 159 | T | B | 0.0594 | |
| 160 | V | B | 1.1631 | |
| 161 | Y | B | 0.0000 | |
| 162 | T | B | -0.0411 | |
| 163 | L | B | 0.0000 | |
| 164 | E | B | 0.0000 | |
| 165 | G | B | -1.6846 | |
| 166 | G | B | -1.3487 | |
| 167 | E | B | -1.7880 | |
| 168 | G | B | 0.0000 | |
| 169 | V | B | 0.1708 | |
| 170 | I | B | 0.0000 | |
| 171 | R | B | 0.1051 | |
| 172 | M | B | 0.0000 | |
| 173 | F | B | 0.0000 | |
| 174 | Y | B | 0.0000 | |
| 175 | T | B | 0.0000 | |
| 176 | P | B | -0.6834 | |
| 177 | G | B | 0.0000 | |
| 178 | H | B | 0.0000 | |
| 179 | A | B | 0.0000 | |
| 180 | P | B | -0.3281 | |
| 181 | G | B | 0.0000 | |
| 182 | H | B | 0.0000 | |
| 183 | Q | B | 0.0000 | |
| 184 | S | B | 0.0000 | |
| 185 | F | B | 0.0000 | |
| 186 | L | B | 0.0000 | |
| 187 | V | B | 0.0000 | |
| 188 | S | B | -0.9463 | |
| 189 | L | B | 0.0000 | |
| 190 | P | B | -1.3772 | |
| 191 | S | B | -1.1135 | |
| 192 | A | B | -0.9825 | |
| 193 | E | B | -2.0406 | |
| 194 | K | B | -1.5787 | |
| 195 | Y | B | 0.0000 | |
| 196 | L | B | 0.0000 | |
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| 198 | A | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | 0.0000 | |
| 201 | A | B | 0.0000 | |
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| 1 | I | C | -0.8944 | |
| 2 | R | C | -1.1716 | |
| 3 | L | C | 0.0000 | |
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| 5 | M | C | 0.0000 | |
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| 10 | T | C | -0.9313 | |
| 11 | L | C | 0.0000 | |
| 12 | K | C | -1.7900 | |
| 13 | C | C | 0.0000 | |
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| 15 | T | C | -1.5619 | |
| 16 | N | C | 0.0000 | |
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| 18 | I | C | 0.0000 | |
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| 20 | M | C | -0.3373 | |
| 21 | N | C | -1.2272 | |
| 22 | A | C | -1.5177 | |
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| 25 | A | C | -0.9903 | |
| 26 | P | C | -1.3562 | |
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| 28 | E | C | -2.2140 | |
| 29 | I | C | 0.0000 | |
| 30 | P | C | 0.0000 | |
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| 35 | L | C | 0.0000 | |
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| 39 | P | C | -1.2735 | |
| 40 | K | C | -2.1002 | |
| 41 | G | C | -1.7855 | |
| 42 | N | C | 0.0000 | |
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| 45 | I | C | 0.0000 | |
| 46 | D | C | 0.0000 | |
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| 49 | N | C | 0.0000 | |
| 50 | A | C | 0.0000 | |
| 51 | V | C | -0.4926 | |
| 52 | E | C | -1.1669 | |
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| 57 | P | C | -2.0793 | |
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| 59 | G | C | -2.1708 | |
| 60 | H | C | -1.8951 | |
| 61 | W | C | 0.0000 | |
| 62 | G | C | -1.4377 | |
| 63 | G | C | -0.8317 | |
| 64 | I | C | -0.0548 | |
| 65 | T | C | 0.0000 | |
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| 67 | V | C | 0.3964 | |
| 68 | Y | C | 0.0000 | |
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| 70 | P | C | 0.0000 | |
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| 72 | M | C | -0.7197 | |
| 73 | T | C | -0.8759 | |
| 74 | P | C | -1.0961 | |
| 75 | E | C | -2.2431 | |
| 76 | Q | C | -1.3814 | |
| 77 | G | C | 0.0000 | |
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| 80 | A | C | -1.7321 | |
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| 82 | L | C | 0.0000 | |
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| 84 | K | C | -2.5759 | |
| 85 | L | C | -1.1480 | |
| 86 | G | C | -1.2422 | |
| 87 | I | C | -1.0519 | |
| 88 | A | C | -1.3491 | |
| 89 | K | C | -2.3383 | |
| 90 | D | C | -2.9067 | |
| 91 | S | C | -2.0558 | |
| 92 | V | C | 0.0000 | |
| 93 | R | C | -2.3994 | |
| 94 | Y | C | 0.0000 | |
| 95 | V | C | 0.0000 | |
| 96 | L | C | 0.0000 | |
| 97 | Q | C | 0.0000 | |
| 98 | S | C | 0.0000 | |
| 99 | H | C | 0.0000 | |
| 100 | L | C | 0.0000 | |
| 101 | H | C | -0.1822 | |
| 102 | L | C | 0.0000 | |
| 103 | D | C | 0.0000 | |
| 104 | H | C | 0.0000 | |
| 105 | T | C | 0.0000 | |
| 106 | G | C | 0.0000 | |
| 107 | A | C | 0.0000 | |
| 108 | I | C | 0.0000 | |
| 109 | G | C | -1.0145 | |
| 110 | R | C | -0.9464 | |
| 111 | F | C | 0.0000 | |
| 112 | P | C | -2.1484 | |
| 113 | K | C | -3.0580 | |
| 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 | -0.3798 | |
| 121 | N | C | -0.6594 | |
| 122 | E | C | 0.0000 | |
| 123 | Y | C | 0.0000 | |
| 124 | E | C | -0.6728 | |
| 125 | Y | C | 0.0000 | |
| 126 | A | C | 0.0000 | |
| 127 | F | C | 0.0000 | |
| 128 | T | C | 0.0000 | |
| 129 | P | C | 0.0057 | |
| 130 | D | C | 0.0000 | |
| 131 | W | C | 0.4307 | |
| 132 | F | C | 0.3009 | |
| 133 | A | C | 0.0000 | |
| 134 | A | C | 0.0904 | |
| 135 | G | C | -0.1223 | |
| 136 | G | C | 0.0000 | |
| 137 | Y | C | 0.0000 | |
| 138 | I | C | 0.0000 | |
| 139 | R | C | -1.7496 | |
| 140 | K | C | -2.3379 | |
| 141 | D | C | 0.0000 | |
| 142 | F | C | 0.0000 | |
| 143 | D | C | -1.8410 | |
| 144 | K | C | -1.5282 | |
| 145 | P | C | -1.0338 | |
| 146 | G | C | -1.0596 | |
| 147 | L | C | -1.2964 | |
| 148 | K | C | -1.8643 | |
| 149 | W | C | -0.6018 | |
| 150 | Q | C | -0.5118 | |
| 151 | F | C | 0.1068 | |
| 152 | L | C | 0.0000 | |
| 153 | P | C | -1.0054 | |
| 154 | G | C | -1.1513 | |
| 155 | G | C | -1.7089 | |
| 156 | E | C | -2.3921 | |
| 157 | H | C | -1.8330 | |
| 158 | E | C | -1.2174 | |
| 159 | T | C | 0.1772 | |
| 160 | V | C | 1.4237 | |
| 161 | Y | C | 0.0000 | |
| 162 | T | C | -0.0687 | |
| 163 | L | C | 0.0000 | |
| 164 | E | C | 0.0000 | |
| 165 | G | C | -1.8027 | |
| 166 | G | C | -1.5271 | |
| 167 | E | C | -2.1231 | |
| 168 | G | C | 0.0000 | |
| 169 | V | C | 0.1065 | |
| 170 | I | C | 0.0000 | |
| 171 | R | C | 0.1971 | |
| 172 | M | C | 0.0000 | |
| 173 | F | C | 0.0000 | |
| 174 | Y | C | 0.0000 | |
| 175 | T | C | 0.0000 | |
| 176 | P | C | -0.6272 | |
| 177 | G | C | 0.0000 | |
| 178 | H | C | 0.0000 | |
| 179 | A | C | 0.0000 | |
| 180 | P | C | -0.2963 | |
| 181 | G | C | 0.0000 | |
| 182 | H | C | 0.0000 | |
| 183 | Q | C | 0.0000 | |
| 184 | S | C | 0.0000 | |
| 185 | F | C | 0.0000 | |
| 186 | L | C | 0.0000 | |
| 187 | V | C | 0.0000 | |
| 188 | S | C | -0.9934 | |
| 189 | L | C | 0.0000 | |
| 190 | P | C | -1.4504 | |
| 191 | S | C | -1.1305 | |
| 192 | A | C | -1.0063 | |
| 193 | E | C | -2.0549 | |
| 194 | K | C | -1.6171 | |
| 195 | Y | C | 0.0000 | |
| 196 | L | C | 0.0000 | |
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| 198 | A | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | 0.0000 | |
| 201 | A | C | 0.0000 | |
| 202 | A | C | 0.0000 | |
| 203 | Y | C | 0.0000 | |
| 204 | T | C | 0.0000 | |
| 205 | V | C | -0.3468 | |
| 206 | D | C | -1.5588 | |
| 207 | H | C | 0.0000 | |
| 208 | W | C | -0.9022 | |
| 209 | E | C | -1.9834 | |
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| 211 | K | C | -2.3508 | |
| 212 | A | C | -1.2330 | |
| 213 | L | C | -0.3233 | |
| 214 | P | C | 0.0000 | |
| 215 | G | C | 0.0000 | |
| 216 | F | C | 0.3140 | |
| 217 | L | C | 0.0000 | |
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| 220 | T | C | 0.0000 | |
| 221 | V | C | -0.2875 | |
| 222 | D | C | -0.8903 | |
| 223 | T | C | 0.0000 | |
| 224 | V | C | 0.0000 | |
| 225 | R | C | -1.3975 | |
| 226 | S | C | 0.0000 | |
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| 230 | L | C | 0.0000 | |
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| 240 | H | C | -1.1723 | |
| 241 | V | C | -0.1791 | |
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| 245 | H | C | 0.0000 | |
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| 250 | W | C | 0.0000 | |
| 251 | P | C | -1.1023 | |
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| 254 | K | C | -1.6904 | |
| 255 | Q | C | -1.8138 | |
| 256 | A | C | -1.0423 | |
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| 1 | I | D | -0.7564 | |
| 2 | R | D | -1.2286 | |
| 3 | L | D | 0.0000 | |
| 4 | Y | D | 0.0000 | |
| 5 | M | D | 0.0000 | |
| 6 | F | D | 0.0000 | |
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| 8 | S | D | 0.0000 | |
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| 10 | T | D | -0.8286 | |
| 11 | L | D | 0.0000 | |
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| 13 | C | D | 0.0000 | |
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| 15 | T | D | -1.5037 | |
| 16 | N | D | 0.0000 | |
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| 18 | I | D | 0.0000 | |
| 19 | K | D | -1.1211 | |
| 20 | M | D | -0.3358 | |
| 21 | N | D | -1.2404 | |
| 22 | A | D | -1.5132 | |
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| 26 | P | D | -1.2873 | |
| 27 | Y | D | -1.2432 | |
| 28 | E | D | -1.9438 | |
| 29 | I | D | 0.0000 | |
| 30 | P | D | 0.0000 | |
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| 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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| 40 | K | D | -2.1394 | |
| 41 | G | D | 0.0000 | |
| 42 | N | D | 0.0000 | |
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| 45 | I | D | 0.0000 | |
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| 48 | G | D | 0.0000 | |
| 49 | N | D | 0.0000 | |
| 50 | A | D | 0.0000 | |
| 51 | V | D | -0.6116 | |
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| 53 | C | D | 0.0000 | |
| 54 | A | D | -1.0547 | |
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| 57 | P | D | -2.0953 | |
| 58 | E | D | -2.7691 | |
| 59 | G | D | -2.1795 | |
| 60 | H | D | -1.9080 | |
| 61 | W | D | 0.0000 | |
| 62 | G | D | -1.4437 | |
| 63 | G | D | -0.8366 | |
| 64 | I | D | -0.0637 | |
| 65 | T | D | 0.0000 | |
| 66 | T | D | -0.0272 | |
| 67 | V | D | 0.3867 | |
| 68 | Y | D | 0.0000 | |
| 69 | W | D | -0.3544 | |
| 70 | P | D | 0.0000 | |
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| 73 | T | D | -0.8784 | |
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| 75 | E | D | -2.2441 | |
| 76 | Q | D | -1.4132 | |
| 77 | G | D | 0.0000 | |
| 78 | V | D | 0.0000 | |
| 79 | E | D | -1.4020 | |
| 80 | A | D | -1.7223 | |
| 81 | Q | D | -1.8319 | |
| 82 | L | D | 0.0000 | |
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| 84 | K | D | -2.5657 | |
| 85 | L | D | -1.1488 | |
| 86 | G | D | -1.2753 | |
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| 89 | K | D | -2.5608 | |
| 90 | D | D | -3.0191 | |
| 91 | S | D | -2.1212 | |
| 92 | V | D | 0.0000 | |
| 93 | R | D | -2.4303 | |
| 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 | -0.1763 | |
| 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 | -0.9862 | |
| 110 | R | D | -0.9932 | |
| 111 | F | D | 0.0000 | |
| 112 | P | D | -2.1790 | |
| 113 | K | D | -3.0660 | |
| 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 | -0.3003 | |
| 121 | N | D | -0.6009 | |
| 122 | E | D | 0.0000 | |
| 123 | Y | D | -0.2381 | |
| 124 | E | D | -0.6160 | |
| 125 | Y | D | 0.0000 | |
| 126 | A | D | 0.0000 | |
| 127 | F | D | 0.0000 | |
| 128 | T | D | 0.0000 | |
| 129 | P | D | 0.0120 | |
| 130 | D | D | 0.0000 | |
| 131 | W | D | 0.4077 | |
| 132 | F | D | 0.2989 | |
| 133 | A | D | 0.0000 | |
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| 135 | G | D | -0.1246 | |
| 136 | G | D | 0.0000 | |
| 137 | Y | D | 0.0000 | |
| 138 | I | D | 0.0000 | |
| 139 | R | D | -1.6665 | |
| 140 | K | D | -2.2880 | |
| 141 | D | D | 0.0000 | |
| 142 | F | D | 0.0000 | |
| 143 | D | D | -1.7465 | |
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| 145 | P | D | -0.9895 | |
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| 149 | W | D | -0.4561 | |
| 150 | Q | D | -0.3586 | |
| 151 | F | D | 0.1714 | |
| 152 | L | D | -0.0702 | |
| 153 | P | D | -0.9457 | |
| 154 | G | D | -1.1241 | |
| 155 | G | D | -1.6879 | |
| 156 | E | D | -2.3703 | |
| 157 | H | D | -1.8373 | |
| 158 | E | D | -1.2085 | |
| 159 | T | D | 0.1949 | |
| 160 | V | D | 1.4180 | |
| 161 | Y | D | 0.0000 | |
| 162 | T | D | -0.0506 | |
| 163 | L | D | 0.0000 | |
| 164 | E | D | -1.8745 | |
| 165 | G | D | -1.7078 | |
| 166 | G | D | -1.2926 | |
| 167 | E | D | -1.5939 | |
| 168 | G | D | 0.0000 | |
| 169 | V | D | 0.2356 | |
| 170 | I | D | 0.0000 | |
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| 172 | M | D | 0.0000 | |
| 173 | F | D | 0.0000 | |
| 174 | Y | D | 0.0000 | |
| 175 | T | D | 0.0000 | |
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| 194 | K | D | -1.5758 | |
| 195 | Y | D | 0.0000 | |
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| 204 | T | D | 0.0000 | |
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| 207 | H | D | 0.0000 | |
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| 211 | K | D | -2.3399 | |
| 212 | A | D | -1.2309 | |
| 213 | L | D | -0.3348 | |
| 214 | P | D | 0.0000 | |
| 215 | G | D | 0.0000 | |
| 216 | F | D | 0.3172 | |
| 217 | L | D | 0.0000 | |
| 218 | A | D | 0.0000 | |
| 219 | S | D | -0.2027 | |
| 220 | T | D | 0.0000 | |
| 221 | V | D | -0.0005 | |
| 222 | D | D | -0.7563 | |
| 223 | T | D | 0.0000 | |
| 224 | V | D | 0.0000 | |
| 225 | R | D | -0.8404 | |
| 226 | S | D | 0.0000 | |
| 227 | V | D | 0.0000 | |
| 228 | Q | D | -1.1870 | |
| 229 | K | D | -1.0416 | |
| 230 | L | D | 0.0000 | |
| 231 | R | D | -1.4192 | |
| 232 | A | D | -1.4287 | |
| 233 | L | D | 0.0000 | |
| 234 | A | D | 0.0000 | |
| 235 | E | D | -2.8317 | |
| 236 | H | D | -1.9273 | |
| 237 | E | D | -2.2898 | |
| 238 | E | D | -3.0811 | |
| 239 | A | D | -2.0114 | |
| 240 | H | D | -1.3115 | |
| 241 | V | D | -0.2849 | |
| 242 | V | D | 0.0000 | |
| 243 | T | D | 0.0000 | |
| 244 | G | D | 0.0000 | |
| 245 | H | D | 0.0000 | |
| 246 | D | D | 0.0000 | |
| 247 | P | D | -1.1549 | |
| 248 | D | D | -1.7940 | |
| 249 | A | D | -0.7842 | |
| 250 | W | D | 0.0000 | |
| 251 | P | D | -1.1227 | |
| 252 | S | D | -0.9320 | |
| 253 | F | D | -0.7486 | |
| 254 | K | D | -1.7713 | |
| 255 | Q | D | -1.8426 | |
| 256 | A | D | -1.0482 | |
| 257 | P | D | -0.8091 | |
| 258 | A | D | -0.6942 | |
| 259 | Y | D | -0.7265 | |
| 260 | Y | D | -1.2789 | |
| 261 | D | D | -2.1677 | |
| 1 | I | E | -0.9390 | |
| 2 | R | E | -1.2326 | |
| 3 | L | E | 0.0000 | |
| 4 | Y | E | 0.0000 | |
| 5 | M | E | 0.0000 | |
| 6 | F | E | 0.0000 | |
| 7 | Q | E | -0.6309 | |
| 8 | S | E | 0.0000 | |
| 9 | G | E | 0.0000 | |
| 10 | T | E | -0.8339 | |
| 11 | L | E | 0.0000 | |
| 12 | K | E | -1.5923 | |
| 13 | C | E | -1.0771 | |
| 14 | K | E | -1.9125 | |
| 15 | T | E | -1.5226 | |
| 16 | N | E | 0.0000 | |
| 17 | N | E | -0.6997 | |
| 18 | I | E | 0.0000 | |
| 19 | K | E | -1.1094 | |
| 20 | M | E | -0.3331 | |
| 21 | N | E | -1.1163 | |
| 22 | A | E | -1.5194 | |
| 23 | D | E | -2.5282 | |
| 24 | P | E | -1.8255 | |
| 25 | A | E | -0.9932 | |
| 26 | P | E | -1.2968 | |
| 27 | Y | E | -1.2561 | |
| 28 | E | E | -1.9665 | |
| 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 | -0.6247 | |
| 38 | H | E | 0.0000 | |
| 39 | P | E | -1.1387 | |
| 40 | K | E | -2.1376 | |
| 41 | G | E | -1.7493 | |
| 42 | N | E | 0.0000 | |
| 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 | -0.5970 | |
| 52 | E | E | -1.2509 | |
| 53 | C | E | 0.0000 | |
| 54 | A | E | -1.0485 | |
| 55 | T | E | -1.3191 | |
| 56 | D | E | -2.5985 | |
| 57 | P | E | -2.0953 | |
| 58 | E | E | -2.7640 | |
| 59 | G | E | -2.1707 | |
| 60 | H | E | -1.9073 | |
| 61 | W | E | 0.0000 | |
| 62 | G | E | -1.4362 | |
| 63 | G | E | -0.8334 | |
| 64 | I | E | -0.0605 | |
| 65 | T | E | -0.3843 | |
| 66 | T | E | -0.0061 | |
| 67 | V | E | 0.4169 | |
| 68 | Y | E | 0.0000 | |
| 69 | W | E | -0.3335 | |
| 70 | P | E | 0.0000 | |
| 71 | D | E | -1.0706 | |
| 72 | M | E | -0.6965 | |
| 73 | T | E | -0.8574 | |
| 74 | P | E | -1.0776 | |
| 75 | E | E | -2.1612 | |
| 76 | Q | E | -1.3230 | |
| 77 | G | E | 0.0000 | |
| 78 | V | E | 0.0000 | |
| 79 | E | E | -1.3559 | |
| 80 | A | E | -1.6696 | |
| 81 | Q | E | -1.7728 | |
| 82 | L | E | 0.0000 | |
| 83 | Q | E | -2.4503 | |
| 84 | K | E | -2.5483 | |
| 85 | L | E | -1.1362 | |
| 86 | G | E | -1.2706 | |
| 87 | I | E | -1.0995 | |
| 88 | A | E | -1.4469 | |
| 89 | K | E | -2.5244 | |
| 90 | D | E | -2.9736 | |
| 91 | S | E | -2.0589 | |
| 92 | V | E | 0.0000 | |
| 93 | R | E | -2.1792 | |
| 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 | -1.0396 | |
| 110 | R | E | -0.9957 | |
| 111 | F | E | 0.0000 | |
| 112 | P | E | -2.1776 | |
| 113 | K | E | -3.0380 | |
| 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 | -0.6568 | |
| 121 | N | E | -1.0786 | |
| 122 | E | E | 0.0000 | |
| 123 | Y | E | 0.0000 | |
| 124 | E | E | -0.7409 | |
| 125 | Y | E | 0.0000 | |
| 126 | A | E | 0.0000 | |
| 127 | F | E | 0.0000 | |
| 128 | T | E | 0.0000 | |
| 129 | P | E | 0.0146 | |
| 130 | D | E | 0.0000 | |
| 131 | W | E | 0.4350 | |
| 132 | F | E | 0.3096 | |
| 133 | A | E | 0.0000 | |
| 134 | A | E | 0.1013 | |
| 135 | G | E | -0.1082 | |
| 136 | G | E | 0.0000 | |
| 137 | Y | E | 0.0000 | |
| 138 | I | E | 0.0000 | |
| 139 | R | E | -1.7499 | |
| 140 | K | E | -2.3467 | |
| 141 | D | E | 0.0000 | |
| 142 | F | E | 0.0000 | |
| 143 | D | E | -1.8796 | |
| 144 | K | E | -1.5336 | |
| 145 | P | E | -1.0457 | |
| 146 | G | E | -1.0763 | |
| 147 | L | E | -1.3314 | |
| 148 | K | E | -1.9277 | |
| 149 | W | E | -0.6831 | |
| 150 | Q | E | -0.5889 | |
| 151 | F | E | -0.1644 | |
| 152 | L | E | 0.0000 | |
| 153 | P | E | -1.0206 | |
| 154 | G | E | -1.1684 | |
| 155 | G | E | -1.6578 | |
| 156 | E | E | -2.3519 | |
| 157 | H | E | -1.7240 | |
| 158 | E | E | -1.0442 | |
| 159 | T | E | 0.2665 | |
| 160 | V | E | 1.4459 | |
| 161 | Y | E | 0.0000 | |
| 162 | T | E | -0.1663 | |
| 163 | L | E | 0.0000 | |
| 164 | E | E | -2.0560 | |
| 165 | G | E | -1.9223 | |
| 166 | G | E | -1.5901 | |
| 167 | E | E | -2.1639 | |
| 168 | G | E | 0.0000 | |
| 169 | V | E | 0.0700 | |
| 170 | I | E | 0.0000 | |
| 171 | R | E | 0.2196 | |
| 172 | M | E | 0.0000 | |
| 173 | F | E | 0.0000 | |
| 174 | Y | E | -0.8619 | |
| 175 | T | E | 0.0000 | |
| 176 | P | E | -0.6323 | |
| 177 | G | E | 0.0000 | |
| 178 | H | E | 0.0000 | |
| 179 | A | E | 0.0000 | |
| 180 | P | E | -0.4167 | |
| 181 | G | E | 0.0000 | |
| 182 | H | E | 0.0000 | |
| 183 | Q | E | 0.0000 | |
| 184 | S | E | 0.0000 | |
| 185 | F | E | 0.0000 | |
| 186 | L | E | 0.0000 | |
| 187 | V | E | 0.0000 | |
| 188 | S | E | -0.9878 | |
| 189 | L | E | 0.0000 | |
| 190 | P | E | -1.4552 | |
| 191 | S | E | -1.0985 | |
| 192 | A | E | -0.9592 | |
| 193 | E | E | -2.0112 | |
| 194 | K | E | -1.5465 | |
| 195 | Y | E | 0.0000 | |
| 196 | L | E | 0.0000 | |
| 197 | L | E | 0.0000 | |
| 198 | A | E | 0.0000 | |
| 199 | V | E | 0.0000 | |
| 200 | D | E | 0.0000 | |
| 201 | A | E | 0.0000 | |
| 202 | A | E | 0.0000 | |
| 203 | Y | E | 0.0000 | |
| 204 | T | E | 0.0000 | |
| 205 | V | E | -0.3061 | |
| 206 | D | E | -1.5090 | |
| 207 | H | E | 0.0000 | |
| 208 | W | E | -0.8039 | |
| 209 | E | E | -1.7669 | |
| 210 | E | E | -1.5663 | |
| 211 | K | E | -2.2880 | |
| 212 | A | E | -1.1974 | |
| 213 | L | E | -0.3180 | |
| 214 | P | E | 0.0000 | |
| 215 | G | E | 0.0000 | |
| 216 | F | E | 0.3132 | |
| 217 | L | E | 0.0000 | |
| 218 | A | E | 0.0000 | |
| 219 | S | E | -0.3124 | |
| 220 | T | E | 0.0000 | |
| 221 | V | E | -0.3523 | |
| 222 | D | E | -1.1020 | |
| 223 | T | E | 0.0000 | |
| 224 | V | E | 0.0000 | |
| 225 | R | E | -1.2848 | |
| 226 | S | E | 0.0000 | |
| 227 | V | E | 0.0000 | |
| 228 | Q | E | -1.3713 | |
| 229 | K | E | -1.1398 | |
| 230 | L | E | 0.0000 | |
| 231 | R | E | -1.4435 | |
| 232 | A | E | -1.3744 | |
| 233 | L | E | -1.2919 | |
| 234 | A | E | 0.0000 | |
| 235 | E | E | -2.7606 | |
| 236 | H | E | -1.8290 | |
| 237 | E | E | -2.2351 | |
| 238 | E | E | -3.0291 | |
| 239 | A | E | -1.9860 | |
| 240 | H | E | -1.3028 | |
| 241 | V | E | -0.2827 | |
| 242 | V | E | 0.0000 | |
| 243 | T | E | 0.0000 | |
| 244 | G | E | 0.0000 | |
| 245 | H | E | 0.0000 | |
| 246 | D | E | 0.0000 | |
| 247 | P | E | -1.1622 | |
| 248 | D | E | -1.7941 | |
| 249 | A | E | -0.7818 | |
| 250 | W | E | 0.0000 | |
| 251 | P | E | -1.0952 | |
| 252 | S | E | -0.8979 | |
| 253 | F | E | -0.6838 | |
| 254 | K | E | -1.6555 | |
| 255 | Q | E | -1.7943 | |
| 256 | A | E | -1.0316 | |
| 257 | P | E | -0.7985 | |
| 258 | A | E | -0.6745 | |
| 259 | Y | E | -0.7333 | |
| 260 | Y | E | -1.2694 | |
| 261 | D | E | -2.1725 | |
| 1 | I | F | -0.9028 | |
| 2 | R | F | -1.2160 | |
| 3 | L | F | 0.0000 | |
| 4 | Y | F | 0.0000 | |
| 5 | M | F | 0.0000 | |
| 6 | F | F | 0.0000 | |
| 7 | Q | F | -0.5567 | |
| 8 | S | F | 0.0000 | |
| 9 | G | F | 0.0000 | |
| 10 | T | F | -0.9871 | |
| 11 | L | F | 0.0000 | |
| 12 | K | F | -1.7860 | |
| 13 | C | F | 0.0000 | |
| 14 | K | F | -1.9472 | |
| 15 | T | F | -1.5477 | |
| 16 | N | F | 0.0000 | |
| 17 | N | F | -0.7276 | |
| 18 | I | F | 0.0000 | |
| 19 | K | F | -1.1584 | |
| 20 | M | F | -0.3679 | |
| 21 | N | F | -1.2389 | |
| 22 | A | F | -1.5436 | |
| 23 | D | F | -2.5386 | |
| 24 | P | F | -1.8424 | |
| 25 | A | F | -0.9901 | |
| 26 | P | F | -1.3024 | |
| 27 | Y | F | -1.2298 | |
| 28 | E | F | -1.9709 | |
| 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 | -0.6143 | |
| 38 | H | F | 0.0000 | |
| 39 | P | F | -1.2712 | |
| 40 | K | F | -2.0830 | |
| 41 | G | F | -1.7499 | |
| 42 | N | F | 0.0000 | |
| 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 | -0.4946 | |
| 52 | E | F | -1.2041 | |
| 53 | C | F | 0.0000 | |
| 54 | A | F | -1.1086 | |
| 55 | T | F | -1.3119 | |
| 56 | D | F | -2.6112 | |
| 57 | P | F | -2.1305 | |
| 58 | E | F | -2.7579 | |
| 59 | G | F | -2.1799 | |
| 60 | H | F | -1.8941 | |
| 61 | W | F | 0.0000 | |
| 62 | G | F | -1.4356 | |
| 63 | G | F | -0.8273 | |
| 64 | I | F | -0.0360 | |
| 65 | T | F | 0.0000 | |
| 66 | T | F | -0.0007 | |
| 67 | V | F | 0.4115 | |
| 68 | Y | F | 0.0000 | |
| 69 | W | F | -0.4080 | |
| 70 | P | F | 0.0000 | |
| 71 | D | F | -1.4798 | |
| 72 | M | F | -0.8750 | |
| 73 | T | F | -0.9292 | |
| 74 | P | F | -1.0693 | |
| 75 | E | F | -2.1775 | |
| 76 | Q | F | -1.3778 | |
| 77 | G | F | 0.0000 | |
| 78 | V | F | 0.0000 | |
| 79 | E | F | -1.3740 | |
| 80 | A | F | -1.7098 | |
| 81 | Q | F | -1.8510 | |
| 82 | L | F | 0.0000 | |
| 83 | Q | F | -2.4514 | |
| 84 | K | F | -2.5744 | |
| 85 | L | F | -1.1573 | |
| 86 | G | F | -1.2592 | |
| 87 | I | F | -1.0735 | |
| 88 | A | F | -1.3698 | |
| 89 | K | F | -2.3719 | |
| 90 | D | F | -2.9145 | |
| 91 | S | F | -2.0427 | |
| 92 | V | F | 0.0000 | |
| 93 | R | F | -2.3030 | |
| 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 | -1.0313 | |
| 110 | R | F | -0.9638 | |
| 111 | F | F | 0.0000 | |
| 112 | P | F | -2.1636 | |
| 113 | K | F | -3.0550 | |
| 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 | -0.2656 | |
| 121 | N | F | -0.5147 | |
| 122 | E | F | 0.0000 | |
| 123 | Y | F | -0.2061 | |
| 124 | E | F | -0.5912 | |
| 125 | Y | F | -0.2402 | |
| 126 | A | F | 0.0000 | |
| 127 | F | F | 0.0000 | |
| 128 | T | F | 0.0000 | |
| 129 | P | F | 0.0013 | |
| 130 | D | F | 0.0317 | |
| 131 | W | F | 0.4085 | |
| 132 | F | F | 0.2790 | |
| 133 | A | F | 0.0000 | |
| 134 | A | F | 0.0693 | |
| 135 | G | F | -0.1246 | |
| 136 | G | F | 0.0000 | |
| 137 | Y | F | 0.0000 | |
| 138 | I | F | 0.0000 | |
| 139 | R | F | -1.6758 | |
| 140 | K | F | -2.3004 | |
| 141 | D | F | 0.0000 | |
| 142 | F | F | 0.0000 | |
| 143 | D | F | -1.7803 | |
| 144 | K | F | -1.4967 | |
| 145 | P | F | -1.0384 | |
| 146 | G | F | -1.0795 | |
| 147 | L | F | -1.3416 | |
| 148 | K | F | -1.9653 | |
| 149 | W | F | -0.6345 | |
| 150 | Q | F | -0.5216 | |
| 151 | F | F | 0.1208 | |
| 152 | L | F | 0.0000 | |
| 153 | P | F | -0.9560 | |
| 154 | G | F | -1.0053 | |
| 155 | G | F | -1.6335 | |
| 156 | E | F | -2.4221 | |
| 157 | H | F | -1.9865 | |
| 158 | E | F | -1.3036 | |
| 159 | T | F | 0.1004 | |
| 160 | V | F | 1.3179 | |
| 161 | Y | F | 0.0000 | |
| 162 | T | F | -0.1020 | |
| 163 | L | F | 0.0000 | |
| 164 | E | F | 0.0000 | |
| 165 | G | F | -1.8009 | |
| 166 | G | F | -1.5304 | |
| 167 | E | F | -2.1121 | |
| 168 | G | F | 0.0000 | |
| 169 | V | F | 0.0983 | |
| 170 | I | F | 0.0000 | |
| 171 | R | F | 0.1752 | |
| 172 | M | F | 0.0000 | |
| 173 | F | F | 0.0000 | |
| 174 | Y | F | -0.9564 | |
| 175 | T | F | 0.0000 | |
| 176 | P | F | -0.6064 | |
| 177 | G | F | 0.0000 | |
| 178 | H | F | 0.0000 | |
| 179 | A | F | 0.0000 | |
| 180 | P | F | -0.2354 | |
| 181 | G | F | 0.0000 | |
| 182 | H | F | 0.0000 | |
| 183 | Q | F | 0.0000 | |
| 184 | S | F | 0.0000 | |
| 185 | F | F | 0.0000 | |
| 186 | L | F | 0.0000 | |
| 187 | V | F | 0.0000 | |
| 188 | S | F | -0.9830 | |
| 189 | L | F | 0.0000 | |
| 190 | P | F | -1.4208 | |
| 191 | S | F | -1.0918 | |
| 192 | A | F | -0.9613 | |
| 193 | E | F | -2.0125 | |
| 194 | K | F | -1.5715 | |
| 195 | Y | F | 0.0000 | |
| 196 | L | F | 0.0000 | |
| 197 | L | F | 0.0000 | |
| 198 | A | F | 0.0000 | |
| 199 | V | F | 0.0000 | |
| 200 | D | F | 0.0000 | |
| 201 | A | F | 0.0000 | |
| 202 | A | F | 0.0000 | |
| 203 | Y | F | 0.0000 | |
| 204 | T | F | 0.0000 | |
| 205 | V | F | -0.3755 | |
| 206 | D | F | -1.4560 | |
| 207 | H | F | 0.0000 | |
| 208 | W | F | -0.9451 | |
| 209 | E | F | -2.0700 | |
| 210 | E | F | -1.7633 | |
| 211 | K | F | -2.3674 | |
| 212 | A | F | -1.2371 | |
| 213 | L | F | -0.3176 | |
| 214 | P | F | 0.0000 | |
| 215 | G | F | 0.0000 | |
| 216 | F | F | 0.3053 | |
| 217 | L | F | 0.0000 | |
| 218 | A | F | 0.0000 | |
| 219 | S | F | -0.2308 | |
| 220 | T | F | 0.0000 | |
| 221 | V | F | -0.3016 | |
| 222 | D | F | -1.0221 | |
| 223 | T | F | 0.0000 | |
| 224 | V | F | 0.0000 | |
| 225 | R | F | -1.2039 | |
| 226 | S | F | 0.0000 | |
| 227 | V | F | 0.0000 | |
| 228 | Q | F | -1.3813 | |
| 229 | K | F | -1.1202 | |
| 230 | L | F | 0.0000 | |
| 231 | R | F | -1.5494 | |
| 232 | A | F | -1.3910 | |
| 233 | L | F | -1.2928 | |
| 234 | A | F | 0.0000 | |
| 235 | E | F | -2.7606 | |
| 236 | H | F | -1.8557 | |
| 237 | E | F | -2.2009 | |
| 238 | E | F | -2.9942 | |
| 239 | A | F | -1.9839 | |
| 240 | H | F | -1.3102 | |
| 241 | V | F | -0.3127 | |
| 242 | V | F | 0.0000 | |
| 243 | T | F | 0.0000 | |
| 244 | G | F | 0.0000 | |
| 245 | H | F | 0.0000 | |
| 246 | D | F | 0.0000 | |
| 247 | P | F | -1.1483 | |
| 248 | D | F | -1.8056 | |
| 249 | A | F | -0.8132 | |
| 250 | W | F | 0.0000 | |
| 251 | P | F | -1.0594 | |
| 252 | S | F | -0.8924 | |
| 253 | F | F | -0.6751 | |
| 254 | K | F | -1.5433 | |
| 255 | Q | F | -1.3580 | |
| 256 | A | F | -0.8145 | |
| 257 | P | F | -0.6775 | |
| 258 | A | F | -0.5399 | |
| 259 | Y | F | -0.6306 | |
| 260 | Y | F | -1.2420 | |
| 261 | D | F | -2.1676 |
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 | -0.3234 | 1.788 | View | CSV | PDB |
| 4.5 | -0.3833 | 1.7727 | View | CSV | PDB |
| 5.0 | -0.4573 | 1.7474 | View | CSV | PDB |
| 5.5 | -0.5326 | 1.7151 | View | CSV | PDB |
| 6.0 | -0.5947 | 1.6805 | View | CSV | PDB |
| 6.5 | -0.6314 | 1.6466 | View | CSV | PDB |
| 7.0 | -0.6409 | 1.6159 | View | CSV | PDB |
| 7.5 | -0.6323 | 1.5887 | View | CSV | PDB |
| 8.0 | -0.6141 | 1.6587 | View | CSV | PDB |
| 8.5 | -0.5893 | 1.7815 | View | CSV | PDB |
| 9.0 | -0.5565 | 1.9038 | 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