| Chain sequence(s) |
A: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLLGEHEDGYDLYGDGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD
C: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLLGEHEDGYDLYGDGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD B: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLLGEHEDGYDLYGDGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD E: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLLGEHEDGYDLYGDGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD D: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLLGEHEDGYDLYGDGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD F: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLLGEHEDGYDLYGDGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD 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 (00:31:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c36d152364f7490/tmp/folded.pdb (00:31:36)
[INFO] Main: Simulation completed successfully. (00:58:04)
|
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 | -0.3651 | |
| 2 | R | A | -1.0880 | |
| 3 | L | A | 0.0000 | |
| 4 | Y | A | 0.0000 | |
| 5 | M | A | 0.0000 | |
| 6 | F | A | 0.0000 | |
| 7 | Q | A | -0.6335 | |
| 8 | S | A | 0.0000 | |
| 9 | G | A | 0.0000 | |
| 10 | T | A | -1.0143 | |
| 11 | L | A | 0.0000 | |
| 12 | K | A | -1.5964 | |
| 13 | C | A | -0.8050 | |
| 14 | K | A | -1.5871 | |
| 15 | T | A | -1.2728 | |
| 16 | N | A | 0.0000 | |
| 17 | N | A | -0.6009 | |
| 18 | I | A | 0.0000 | |
| 19 | K | A | -1.0755 | |
| 20 | M | A | -0.3644 | |
| 21 | N | A | -1.2265 | |
| 22 | A | A | -1.4721 | |
| 23 | D | A | -2.5069 | |
| 24 | P | A | -1.7580 | |
| 25 | A | A | -1.0925 | |
| 26 | P | A | -0.9330 | |
| 27 | Y | A | -1.1266 | |
| 28 | E | A | -1.9636 | |
| 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 | -0.5049 | |
| 38 | H | A | 0.0000 | |
| 39 | P | A | -0.7748 | |
| 40 | K | A | -1.4986 | |
| 41 | G | A | -1.4475 | |
| 42 | N | A | -1.0209 | |
| 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 | -0.6852 | |
| 52 | E | A | -1.2505 | |
| 53 | C | A | 0.0000 | |
| 54 | A | A | -1.4220 | |
| 55 | T | A | -1.5185 | |
| 56 | D | A | -2.6191 | |
| 57 | P | A | -2.1680 | |
| 58 | E | A | -2.6504 | |
| 59 | G | A | -2.1582 | |
| 60 | H | A | 0.0000 | |
| 61 | W | A | 0.0000 | |
| 62 | G | A | -1.4196 | |
| 63 | G | A | -0.7577 | |
| 64 | I | A | 0.0146 | |
| 65 | T | A | 0.0000 | |
| 66 | T | A | 0.0622 | |
| 67 | V | A | 0.5908 | |
| 68 | Y | A | 0.0603 | |
| 69 | W | A | -0.3542 | |
| 70 | P | A | 0.0000 | |
| 71 | D | A | -1.5946 | |
| 72 | M | A | 0.0000 | |
| 73 | T | A | -1.0095 | |
| 74 | P | A | -1.1231 | |
| 75 | E | A | -2.1288 | |
| 76 | Q | A | -1.3613 | |
| 77 | G | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | E | A | -1.4960 | |
| 80 | A | A | -1.6900 | |
| 81 | Q | A | -1.8342 | |
| 82 | L | A | 0.0000 | |
| 83 | Q | A | -2.5610 | |
| 84 | K | A | -2.5840 | |
| 85 | L | A | -1.1979 | |
| 86 | G | A | -1.3676 | |
| 87 | I | A | -1.1881 | |
| 88 | A | A | -1.4021 | |
| 89 | K | A | -2.8277 | |
| 90 | D | A | -2.9174 | |
| 91 | S | A | -1.9418 | |
| 92 | V | A | 0.0000 | |
| 93 | R | A | -1.9464 | |
| 94 | Y | A | -0.7474 | |
| 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 | -1.0007 | |
| 110 | R | A | -1.0467 | |
| 111 | F | A | 0.0000 | |
| 112 | P | A | -2.1215 | |
| 113 | K | A | -2.9585 | |
| 114 | A | A | 0.0000 | |
| 115 | T | A | -1.1378 | |
| 116 | H | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | Q | A | 0.0000 | |
| 120 | R | A | -0.0323 | |
| 121 | N | A | -0.4697 | |
| 122 | E | A | 0.0000 | |
| 123 | Y | A | -0.2187 | |
| 124 | E | A | -0.5869 | |
| 125 | Y | A | -0.2797 | |
| 126 | A | A | 0.0000 | |
| 127 | F | A | -0.2857 | |
| 128 | T | A | 0.0000 | |
| 129 | P | A | -0.0187 | |
| 130 | D | A | 0.0099 | |
| 131 | W | A | 0.1338 | |
| 132 | F | A | 0.1641 | |
| 133 | A | A | 0.0000 | |
| 134 | A | A | -0.0212 | |
| 135 | G | A | -0.2355 | |
| 136 | G | A | -0.2135 | |
| 137 | Y | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | R | A | -2.2298 | |
| 140 | K | A | -2.5461 | |
| 141 | D | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | D | A | -1.7345 | |
| 144 | K | A | -1.5039 | |
| 145 | P | A | -0.9905 | |
| 146 | G | A | -1.0019 | |
| 147 | L | A | -1.2548 | |
| 148 | K | A | -1.9098 | |
| 149 | W | A | -0.6749 | |
| 150 | Q | A | -0.4905 | |
| 151 | F | A | 0.2275 | |
| 152 | L | A | 0.0000 | |
| 153 | L | A | 0.3786 | |
| 154 | G | A | 0.0000 | |
| 155 | E | A | -1.6116 | |
| 156 | H | A | -1.9706 | |
| 157 | E | A | -1.4487 | |
| 158 | D | A | -1.4583 | |
| 159 | G | A | -0.8336 | |
| 160 | Y | A | -0.7221 | |
| 161 | D | A | -1.0964 | |
| 162 | L | A | 0.0000 | |
| 163 | Y | A | 0.0000 | |
| 164 | G | A | -1.4379 | |
| 165 | D | A | -1.8886 | |
| 166 | G | A | -1.1251 | |
| 167 | V | A | 0.0000 | |
| 168 | I | A | 0.0000 | |
| 169 | R | A | -0.8059 | |
| 170 | M | A | 0.0000 | |
| 171 | F | A | -0.4185 | |
| 172 | Y | A | 0.0000 | |
| 173 | T | A | 0.0000 | |
| 174 | P | A | -0.5013 | |
| 175 | G | A | 0.0000 | |
| 176 | H | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | P | A | -0.2933 | |
| 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 | -1.0346 | |
| 187 | L | A | 0.0000 | |
| 188 | P | A | -1.0370 | |
| 189 | S | A | -1.0973 | |
| 190 | A | A | -1.1676 | |
| 191 | E | A | -2.0186 | |
| 192 | K | A | -1.6182 | |
| 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 | 0.0000 | |
| 203 | V | A | -0.6124 | |
| 204 | D | A | -2.1765 | |
| 205 | H | A | 0.0000 | |
| 206 | W | A | -1.1438 | |
| 207 | E | A | -2.2846 | |
| 208 | E | A | -1.9548 | |
| 209 | K | A | -2.5420 | |
| 210 | A | A | -1.4366 | |
| 211 | L | A | -0.4602 | |
| 212 | P | A | 0.0000 | |
| 213 | G | A | 0.0000 | |
| 214 | F | A | 0.3175 | |
| 215 | L | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | S | A | -0.2139 | |
| 218 | T | A | 0.0000 | |
| 219 | V | A | -0.3195 | |
| 220 | D | A | -1.0604 | |
| 221 | T | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | R | A | -1.1794 | |
| 224 | S | A | 0.0000 | |
| 225 | V | A | 0.0000 | |
| 226 | Q | A | -1.3112 | |
| 227 | K | A | -0.9928 | |
| 228 | L | A | 0.0000 | |
| 229 | R | A | -1.5441 | |
| 230 | A | A | -1.3221 | |
| 231 | L | A | -1.1908 | |
| 232 | A | A | 0.0000 | |
| 233 | E | A | -2.7654 | |
| 234 | H | A | -1.8675 | |
| 235 | E | A | -2.1363 | |
| 236 | E | A | -2.9296 | |
| 237 | A | A | -1.9735 | |
| 238 | H | A | -1.3267 | |
| 239 | V | A | -0.2934 | |
| 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 | -1.1727 | |
| 246 | D | A | -1.7865 | |
| 247 | A | A | -0.7399 | |
| 248 | W | A | 0.0000 | |
| 249 | P | A | -1.1224 | |
| 250 | S | A | -0.9341 | |
| 251 | F | A | -0.7422 | |
| 252 | K | A | -1.7561 | |
| 253 | Q | A | -1.8417 | |
| 254 | A | A | 0.0000 | |
| 255 | P | A | -0.8737 | |
| 256 | A | A | -0.6952 | |
| 257 | Y | A | -0.7049 | |
| 258 | Y | A | -1.2562 | |
| 259 | D | A | -2.0643 | |
| 1 | I | B | -0.3229 | |
| 2 | R | B | -1.0559 | |
| 3 | L | B | 0.0000 | |
| 4 | Y | B | 0.0000 | |
| 5 | M | B | 0.0000 | |
| 6 | F | B | 0.0000 | |
| 7 | Q | B | -0.6561 | |
| 8 | S | B | 0.0000 | |
| 9 | G | B | 0.0000 | |
| 10 | T | B | -1.0368 | |
| 11 | L | B | 0.0000 | |
| 12 | K | B | -1.7719 | |
| 13 | C | B | -0.9038 | |
| 14 | K | B | -1.6911 | |
| 15 | T | B | -1.2938 | |
| 16 | N | B | 0.0000 | |
| 17 | N | B | -0.4597 | |
| 18 | I | B | 0.0000 | |
| 19 | K | B | -1.0267 | |
| 20 | M | B | -0.3351 | |
| 21 | N | B | -1.1798 | |
| 22 | A | B | -1.4580 | |
| 23 | D | B | -2.4799 | |
| 24 | P | B | -1.7711 | |
| 25 | A | B | -1.0948 | |
| 26 | P | B | -0.9674 | |
| 27 | Y | B | -1.1153 | |
| 28 | E | B | -1.8421 | |
| 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 | -0.4616 | |
| 38 | H | B | 0.0000 | |
| 39 | P | B | -0.6507 | |
| 40 | K | B | -1.2205 | |
| 41 | G | B | -1.3527 | |
| 42 | N | B | -0.9685 | |
| 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 | -0.6384 | |
| 52 | E | B | -1.3998 | |
| 53 | C | B | 0.0000 | |
| 54 | A | B | -1.4161 | |
| 55 | T | B | -1.5195 | |
| 56 | D | B | -2.6270 | |
| 57 | P | B | -2.1728 | |
| 58 | E | B | -2.7388 | |
| 59 | G | B | -2.1626 | |
| 60 | H | B | 0.0000 | |
| 61 | W | B | 0.0000 | |
| 62 | G | B | -1.4203 | |
| 63 | G | B | -0.7588 | |
| 64 | I | B | 0.0153 | |
| 65 | T | B | 0.0000 | |
| 66 | T | B | 0.0343 | |
| 67 | V | B | 0.5343 | |
| 68 | Y | B | -0.0087 | |
| 69 | W | B | -0.4192 | |
| 70 | P | B | 0.0000 | |
| 71 | D | B | -1.6813 | |
| 72 | M | B | 0.0000 | |
| 73 | T | B | -1.0069 | |
| 74 | P | B | -1.1094 | |
| 75 | E | B | -2.1100 | |
| 76 | Q | B | -1.3967 | |
| 77 | G | B | 0.0000 | |
| 78 | V | B | 0.0000 | |
| 79 | E | B | -1.6105 | |
| 80 | A | B | -1.7538 | |
| 81 | Q | B | -1.8571 | |
| 82 | L | B | 0.0000 | |
| 83 | Q | B | -2.5383 | |
| 84 | K | B | -2.5922 | |
| 85 | L | B | -1.2052 | |
| 86 | G | B | -1.3167 | |
| 87 | I | B | -1.1486 | |
| 88 | A | B | -1.3275 | |
| 89 | K | B | -2.6371 | |
| 90 | D | B | -3.0058 | |
| 91 | S | B | -1.9319 | |
| 92 | V | B | 0.0000 | |
| 93 | R | B | -1.9450 | |
| 94 | Y | B | -0.7678 | |
| 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 | -0.9862 | |
| 110 | R | B | -1.0342 | |
| 111 | F | B | 0.0000 | |
| 112 | P | B | -2.1180 | |
| 113 | K | B | -2.9876 | |
| 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 | -0.5112 | |
| 121 | N | B | -0.7943 | |
| 122 | E | B | 0.0000 | |
| 123 | Y | B | -0.4655 | |
| 124 | E | B | -0.9123 | |
| 125 | Y | B | -0.4664 | |
| 126 | A | B | 0.0000 | |
| 127 | F | B | 0.0000 | |
| 128 | T | B | 0.0000 | |
| 129 | P | B | -0.0276 | |
| 130 | D | B | 0.0000 | |
| 131 | W | B | 0.1807 | |
| 132 | F | B | 0.1976 | |
| 133 | A | B | 0.0000 | |
| 134 | A | B | 0.0523 | |
| 135 | G | B | -0.1681 | |
| 136 | G | B | -0.1636 | |
| 137 | Y | B | 0.0000 | |
| 138 | I | B | 0.0000 | |
| 139 | R | B | -1.8650 | |
| 140 | K | B | -2.3426 | |
| 141 | D | B | 0.0000 | |
| 142 | F | B | 0.0000 | |
| 143 | D | B | -1.6007 | |
| 144 | K | B | -1.4241 | |
| 145 | P | B | -0.9809 | |
| 146 | G | B | -0.9996 | |
| 147 | L | B | -1.2540 | |
| 148 | K | B | -1.9256 | |
| 149 | W | B | -0.7180 | |
| 150 | Q | B | -0.5509 | |
| 151 | F | B | -0.0885 | |
| 152 | L | B | 0.0000 | |
| 153 | L | B | -0.4042 | |
| 154 | G | B | 0.0000 | |
| 155 | E | B | -1.6675 | |
| 156 | H | B | -2.0535 | |
| 157 | E | B | -1.5456 | |
| 158 | D | B | -1.5671 | |
| 159 | G | B | -0.8253 | |
| 160 | Y | B | -0.6615 | |
| 161 | D | B | -0.9975 | |
| 162 | L | B | 0.0000 | |
| 163 | Y | B | -0.9524 | |
| 164 | G | B | -1.2916 | |
| 165 | D | B | -1.6817 | |
| 166 | G | B | -1.0204 | |
| 167 | V | B | 0.0000 | |
| 168 | I | B | 0.0000 | |
| 169 | R | B | -0.7029 | |
| 170 | M | B | 0.0000 | |
| 171 | F | B | -0.4020 | |
| 172 | Y | B | 0.0000 | |
| 173 | T | B | 0.0000 | |
| 174 | P | B | -0.3255 | |
| 175 | G | B | 0.0000 | |
| 176 | H | B | 0.0000 | |
| 177 | A | B | 0.0000 | |
| 178 | P | B | -0.3129 | |
| 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 | -1.0021 | |
| 187 | L | B | 0.0000 | |
| 188 | P | B | -1.0130 | |
| 189 | S | B | -1.0692 | |
| 190 | A | B | -1.1588 | |
| 191 | E | B | -2.0109 | |
| 192 | K | B | -1.6243 | |
| 193 | Y | B | 0.0000 | |
| 194 | L | B | 0.0000 | |
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| 95 | V | C | 0.0000 | |
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| 100 | L | C | 0.0000 | |
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| 114 | A | C | 0.0000 | |
| 115 | T | C | 0.0000 | |
| 116 | H | C | 0.0000 | |
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| 118 | V | C | 0.0000 | |
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| 120 | R | C | -0.1097 | |
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| 122 | E | C | 0.0000 | |
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| 125 | Y | C | -0.3346 | |
| 126 | A | C | 0.0000 | |
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| 128 | T | C | 0.0000 | |
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| 130 | D | C | -0.1128 | |
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| 140 | K | C | -2.5273 | |
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| 150 | Q | C | -0.4770 | |
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| 164 | G | C | -1.4281 | |
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| 166 | G | C | -1.1203 | |
| 167 | V | C | 0.0000 | |
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| 169 | R | C | -0.7041 | |
| 170 | M | C | 0.0000 | |
| 171 | F | C | -0.3154 | |
| 172 | Y | C | 0.0000 | |
| 173 | T | C | 0.0000 | |
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| 205 | H | C | 0.0000 | |
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| 5 | M | D | 0.0000 | |
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| 42 | N | D | -1.0422 | |
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| 50 | A | D | 0.0000 | |
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| 61 | W | D | 0.0000 | |
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| 64 | I | D | -0.0038 | |
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| 68 | Y | D | -0.0115 | |
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| 70 | P | D | 0.0000 | |
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| 80 | A | D | -1.7880 | |
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| 89 | K | D | -2.8615 | |
| 90 | D | D | -3.0911 | |
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| 92 | V | D | 0.0000 | |
| 93 | R | D | -2.0453 | |
| 94 | Y | D | -0.7816 | |
| 95 | V | D | 0.0000 | |
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| 97 | Q | D | 0.0000 | |
| 98 | S | D | 0.0000 | |
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| 100 | L | D | 0.0000 | |
| 101 | H | D | 0.0000 | |
| 102 | L | D | 0.0000 | |
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| 105 | T | D | 0.0000 | |
| 106 | G | D | 0.0000 | |
| 107 | A | D | 0.0000 | |
| 108 | I | D | 0.0000 | |
| 109 | G | D | -0.9782 | |
| 110 | R | D | -1.0502 | |
| 111 | F | D | 0.0000 | |
| 112 | P | D | -2.1605 | |
| 113 | K | D | -3.0234 | |
| 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 | -0.0791 | |
| 121 | N | D | -0.5236 | |
| 122 | E | D | 0.0000 | |
| 123 | Y | D | 0.0000 | |
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| 125 | Y | D | -0.4500 | |
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| 127 | F | D | 0.0000 | |
| 128 | T | D | 0.0000 | |
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| 131 | W | D | 0.0992 | |
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| 137 | Y | D | 0.0000 | |
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| 139 | R | D | -1.6666 | |
| 140 | K | D | -2.2429 | |
| 141 | D | D | 0.0000 | |
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| 150 | Q | D | -0.4271 | |
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| 152 | L | D | 0.0000 | |
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| 155 | E | D | -1.4253 | |
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| 163 | Y | D | 0.0000 | |
| 164 | G | D | -1.3497 | |
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| 167 | V | D | 0.0000 | |
| 168 | I | D | 0.0000 | |
| 169 | R | D | -0.8062 | |
| 170 | M | D | 0.0000 | |
| 171 | F | D | -0.3844 | |
| 172 | Y | D | 0.0000 | |
| 173 | T | D | 0.0000 | |
| 174 | P | D | -0.4656 | |
| 175 | G | D | 0.0000 | |
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| 206 | W | D | 0.0000 | |
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| 217 | S | D | -0.2123 | |
| 218 | T | D | 0.0000 | |
| 219 | V | D | -0.3581 | |
| 220 | D | D | -1.0190 | |
| 221 | T | D | 0.0000 | |
| 222 | V | D | 0.0000 | |
| 223 | R | D | -1.5268 | |
| 224 | S | D | 0.0000 | |
| 225 | V | D | 0.0000 | |
| 226 | Q | D | -1.5370 | |
| 227 | K | D | -1.1160 | |
| 228 | L | D | 0.0000 | |
| 229 | R | D | -1.6248 | |
| 230 | A | D | -1.3440 | |
| 231 | L | D | -1.2151 | |
| 232 | A | D | 0.0000 | |
| 233 | E | D | -2.7705 | |
| 234 | H | D | -1.9066 | |
| 235 | E | D | -2.1574 | |
| 236 | E | D | -2.9377 | |
| 237 | A | D | -1.9519 | |
| 238 | H | D | -1.2710 | |
| 239 | V | D | -0.2799 | |
| 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 | -1.1723 | |
| 246 | D | D | -1.8046 | |
| 247 | A | D | -0.7653 | |
| 248 | W | D | 0.0000 | |
| 249 | P | D | -1.1278 | |
| 250 | S | D | -0.9418 | |
| 251 | F | D | -0.7587 | |
| 252 | K | D | -1.7665 | |
| 253 | Q | D | -1.8438 | |
| 254 | A | D | 0.0000 | |
| 255 | P | D | -0.8688 | |
| 256 | A | D | -0.6954 | |
| 257 | Y | D | -0.6342 | |
| 258 | Y | D | -1.1105 | |
| 259 | D | D | -1.7557 | |
| 1 | I | E | -0.3712 | |
| 2 | R | E | -1.0967 | |
| 3 | L | E | 0.0000 | |
| 4 | Y | E | 0.0000 | |
| 5 | M | E | 0.0000 | |
| 6 | F | E | 0.0000 | |
| 7 | Q | E | -0.6332 | |
| 8 | S | E | 0.0000 | |
| 9 | G | E | 0.0000 | |
| 10 | T | E | -1.0401 | |
| 11 | L | E | 0.0000 | |
| 12 | K | E | -1.6303 | |
| 13 | C | E | -0.8025 | |
| 14 | K | E | -1.5659 | |
| 15 | T | E | -1.2581 | |
| 16 | N | E | 0.0000 | |
| 17 | N | E | -0.3251 | |
| 18 | I | E | 0.0000 | |
| 19 | K | E | -1.0859 | |
| 20 | M | E | -0.3935 | |
| 21 | N | E | -1.2780 | |
| 22 | A | E | -1.4946 | |
| 23 | D | E | -2.5031 | |
| 24 | P | E | -1.7643 | |
| 25 | A | E | -1.0693 | |
| 26 | P | E | -0.9096 | |
| 27 | Y | E | -1.0701 | |
| 28 | E | E | -1.8588 | |
| 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 | -0.5028 | |
| 38 | H | E | 0.0000 | |
| 39 | P | E | -0.7659 | |
| 40 | K | E | -1.4829 | |
| 41 | G | E | -1.4784 | |
| 42 | N | E | -1.0209 | |
| 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 | -0.6240 | |
| 52 | E | E | -1.3933 | |
| 53 | C | E | 0.0000 | |
| 54 | A | E | -1.4310 | |
| 55 | T | E | -1.5175 | |
| 56 | D | E | -2.6161 | |
| 57 | P | E | -2.1871 | |
| 58 | E | E | -2.7446 | |
| 59 | G | E | -2.1591 | |
| 60 | H | E | 0.0000 | |
| 61 | W | E | 0.0000 | |
| 62 | G | E | -1.4206 | |
| 63 | G | E | -0.7648 | |
| 64 | I | E | 0.0041 | |
| 65 | T | E | 0.0000 | |
| 66 | T | E | 0.0415 | |
| 67 | V | E | 0.5738 | |
| 68 | Y | E | 0.0160 | |
| 69 | W | E | -0.4460 | |
| 70 | P | E | 0.0000 | |
| 71 | D | E | -1.7273 | |
| 72 | M | E | 0.0000 | |
| 73 | T | E | -1.0382 | |
| 74 | P | E | -1.1271 | |
| 75 | E | E | -2.1541 | |
| 76 | Q | E | -1.4394 | |
| 77 | G | E | 0.0000 | |
| 78 | V | E | 0.0000 | |
| 79 | E | E | -1.5587 | |
| 80 | A | E | -1.7355 | |
| 81 | Q | E | -1.8536 | |
| 82 | L | E | 0.0000 | |
| 83 | Q | E | -2.5328 | |
| 84 | K | E | -2.5839 | |
| 85 | L | E | -1.1930 | |
| 86 | G | E | -1.3210 | |
| 87 | I | E | -1.1475 | |
| 88 | A | E | -1.3540 | |
| 89 | K | E | -2.7131 | |
| 90 | D | E | -3.0471 | |
| 91 | S | E | -1.9812 | |
| 92 | V | E | 0.0000 | |
| 93 | R | E | -1.9798 | |
| 94 | Y | E | -0.7550 | |
| 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 | -0.9913 | |
| 110 | R | E | -1.0635 | |
| 111 | F | E | 0.0000 | |
| 112 | P | E | -2.1413 | |
| 113 | K | E | -3.0012 | |
| 114 | A | E | 0.0000 | |
| 115 | T | E | -1.1390 | |
| 116 | H | E | 0.0000 | |
| 117 | I | E | 0.0000 | |
| 118 | V | E | 0.0000 | |
| 119 | Q | E | 0.0000 | |
| 120 | R | E | -0.4318 | |
| 121 | N | E | -0.8332 | |
| 122 | E | E | 0.0000 | |
| 123 | Y | E | -0.4315 | |
| 124 | E | E | -0.8374 | |
| 125 | Y | E | 0.0000 | |
| 126 | A | E | 0.0000 | |
| 127 | F | E | 0.0000 | |
| 128 | T | E | 0.0000 | |
| 129 | P | E | -0.1288 | |
| 130 | D | E | -0.1213 | |
| 131 | W | E | 0.1004 | |
| 132 | F | E | 0.1526 | |
| 133 | A | E | 0.0000 | |
| 134 | A | E | 0.0205 | |
| 135 | G | E | -0.1625 | |
| 136 | G | E | -0.1334 | |
| 137 | Y | E | 0.0000 | |
| 138 | I | E | 0.0000 | |
| 139 | R | E | -1.5547 | |
| 140 | K | E | -2.1793 | |
| 141 | D | E | 0.0000 | |
| 142 | F | E | 0.0000 | |
| 143 | D | E | -1.4262 | |
| 144 | K | E | -1.3591 | |
| 145 | P | E | -0.9718 | |
| 146 | G | E | -0.9925 | |
| 147 | L | E | -1.2462 | |
| 148 | K | E | -1.9102 | |
| 149 | W | E | -0.6295 | |
| 150 | Q | E | -0.4493 | |
| 151 | F | E | 0.1190 | |
| 152 | L | E | 0.0000 | |
| 153 | L | E | -0.2631 | |
| 154 | G | E | 0.0000 | |
| 155 | E | E | -1.5597 | |
| 156 | H | E | -2.0003 | |
| 157 | E | E | -1.5741 | |
| 158 | D | E | -1.4962 | |
| 159 | G | E | -0.8473 | |
| 160 | Y | E | -0.7277 | |
| 161 | D | E | -1.1637 | |
| 162 | L | E | 0.0000 | |
| 163 | Y | E | 0.0000 | |
| 164 | G | E | -1.4313 | |
| 165 | D | E | -1.8763 | |
| 166 | G | E | -1.1230 | |
| 167 | V | E | 0.0000 | |
| 168 | I | E | 0.0000 | |
| 169 | R | E | -0.8688 | |
| 170 | M | E | 0.0000 | |
| 171 | F | E | -0.4008 | |
| 172 | Y | E | 0.0000 | |
| 173 | T | E | 0.0000 | |
| 174 | P | E | -0.4877 | |
| 175 | G | E | 0.0000 | |
| 176 | H | E | 0.0000 | |
| 177 | A | E | 0.0000 | |
| 178 | P | E | -0.3974 | |
| 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 | -1.0545 | |
| 187 | L | E | 0.0000 | |
| 188 | P | E | -1.0524 | |
| 189 | S | E | -1.1144 | |
| 190 | A | E | -1.1806 | |
| 191 | E | E | -2.0369 | |
| 192 | K | E | -1.6412 | |
| 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 | -0.6510 | |
| 204 | D | E | -2.1747 | |
| 205 | H | E | 0.0000 | |
| 206 | W | E | -1.1945 | |
| 207 | E | E | -2.3464 | |
| 208 | E | E | -1.9299 | |
| 209 | K | E | -2.5159 | |
| 210 | A | E | -1.4295 | |
| 211 | L | E | -0.4506 | |
| 212 | P | E | 0.0000 | |
| 213 | G | E | 0.0000 | |
| 214 | F | E | 0.3153 | |
| 215 | L | E | 0.0000 | |
| 216 | A | E | 0.0000 | |
| 217 | S | E | -0.2976 | |
| 218 | T | E | 0.0000 | |
| 219 | V | E | -0.3337 | |
| 220 | D | E | -1.0908 | |
| 221 | T | E | 0.0000 | |
| 222 | V | E | 0.0000 | |
| 223 | R | E | -1.2685 | |
| 224 | S | E | 0.0000 | |
| 225 | V | E | 0.0000 | |
| 226 | Q | E | -1.5141 | |
| 227 | K | E | -1.0863 | |
| 228 | L | E | 0.0000 | |
| 229 | R | E | -1.3519 | |
| 230 | A | E | -1.0185 | |
| 231 | L | E | -0.8530 | |
| 232 | A | E | 0.0000 | |
| 233 | E | E | -1.6151 | |
| 234 | H | E | -1.2930 | |
| 235 | E | E | -1.7772 | |
| 236 | E | E | -2.5158 | |
| 237 | A | E | -1.7207 | |
| 238 | H | E | -1.1807 | |
| 239 | V | E | -0.1787 | |
| 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 | -1.1531 | |
| 246 | D | E | -1.7958 | |
| 247 | A | E | -0.7513 | |
| 248 | W | E | 0.0000 | |
| 249 | P | E | -1.1266 | |
| 250 | S | E | -0.9393 | |
| 251 | F | E | -0.7509 | |
| 252 | K | E | -1.7716 | |
| 253 | Q | E | -1.8454 | |
| 254 | A | E | -1.0608 | |
| 255 | P | E | -0.8683 | |
| 256 | A | E | -0.6955 | |
| 257 | Y | E | -0.7142 | |
| 258 | Y | E | -1.2792 | |
| 259 | D | E | -2.1083 | |
| 1 | I | F | -0.3635 | |
| 2 | R | F | -1.0895 | |
| 3 | L | F | 0.0000 | |
| 4 | Y | F | 0.0000 | |
| 5 | M | F | 0.0000 | |
| 6 | F | F | 0.0000 | |
| 7 | Q | F | -0.6027 | |
| 8 | S | F | 0.0000 | |
| 9 | G | F | 0.0000 | |
| 10 | T | F | -1.0648 | |
| 11 | L | F | 0.0000 | |
| 12 | K | F | -1.7419 | |
| 13 | C | F | -0.9111 | |
| 14 | K | F | -1.7186 | |
| 15 | T | F | -1.3308 | |
| 16 | N | F | 0.0000 | |
| 17 | N | F | -0.6450 | |
| 18 | I | F | 0.0000 | |
| 19 | K | F | -1.0828 | |
| 20 | M | F | -0.3764 | |
| 21 | N | F | -1.2420 | |
| 22 | A | F | -1.4941 | |
| 23 | D | F | -2.5146 | |
| 24 | P | F | -1.7887 | |
| 25 | A | F | -1.1213 | |
| 26 | P | F | -0.9891 | |
| 27 | Y | F | -1.1855 | |
| 28 | E | F | -2.0428 | |
| 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 | -0.4969 | |
| 38 | H | F | 0.0000 | |
| 39 | P | F | -0.7332 | |
| 40 | K | F | -1.4189 | |
| 41 | G | F | -1.4535 | |
| 42 | N | F | -1.0099 | |
| 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 | -0.6410 | |
| 52 | E | F | -1.3862 | |
| 53 | C | F | 0.0000 | |
| 54 | A | F | -1.4360 | |
| 55 | T | F | -1.5214 | |
| 56 | D | F | -2.6392 | |
| 57 | P | F | -2.1867 | |
| 58 | E | F | -2.7488 | |
| 59 | G | F | -2.1683 | |
| 60 | H | F | 0.0000 | |
| 61 | W | F | 0.0000 | |
| 62 | G | F | -1.4236 | |
| 63 | G | F | -0.7671 | |
| 64 | I | F | -0.0016 | |
| 65 | T | F | 0.0000 | |
| 66 | T | F | 0.0338 | |
| 67 | V | F | 0.5298 | |
| 68 | Y | F | -0.0193 | |
| 69 | W | F | -0.4423 | |
| 70 | P | F | 0.0000 | |
| 71 | D | F | -1.7075 | |
| 72 | M | F | 0.0000 | |
| 73 | T | F | -1.0559 | |
| 74 | P | F | -1.1582 | |
| 75 | E | F | -2.2197 | |
| 76 | Q | F | -1.4490 | |
| 77 | G | F | 0.0000 | |
| 78 | V | F | 0.0000 | |
| 79 | E | F | -1.5773 | |
| 80 | A | F | -1.7448 | |
| 81 | Q | F | -1.8054 | |
| 82 | L | F | 0.0000 | |
| 83 | Q | F | -2.5273 | |
| 84 | K | F | -2.5791 | |
| 85 | L | F | -1.1839 | |
| 86 | G | F | -1.3132 | |
| 87 | I | F | -1.1488 | |
| 88 | A | F | -1.3449 | |
| 89 | K | F | -2.6719 | |
| 90 | D | F | -3.0246 | |
| 91 | S | F | -1.9668 | |
| 92 | V | F | 0.0000 | |
| 93 | R | F | -1.9834 | |
| 94 | Y | F | -0.7640 | |
| 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 | -0.9835 | |
| 110 | R | F | -1.0379 | |
| 111 | F | F | 0.0000 | |
| 112 | P | F | -2.1275 | |
| 113 | K | F | -2.9933 | |
| 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 | -0.2888 | |
| 121 | N | F | -0.6594 | |
| 122 | E | F | 0.0000 | |
| 123 | Y | F | -0.3597 | |
| 124 | E | F | -0.8242 | |
| 125 | Y | F | -0.4462 | |
| 126 | A | F | 0.0000 | |
| 127 | F | F | 0.0000 | |
| 128 | T | F | 0.0000 | |
| 129 | P | F | -0.1138 | |
| 130 | D | F | -0.0941 | |
| 131 | W | F | 0.1554 | |
| 132 | F | F | 0.1767 | |
| 133 | A | F | 0.0000 | |
| 134 | A | F | 0.0350 | |
| 135 | G | F | -0.1680 | |
| 136 | G | F | -0.1408 | |
| 137 | Y | F | 0.0000 | |
| 138 | I | F | 0.0000 | |
| 139 | R | F | -1.6490 | |
| 140 | K | F | -2.2283 | |
| 141 | D | F | 0.0000 | |
| 142 | F | F | 0.0000 | |
| 143 | D | F | -1.4611 | |
| 144 | K | F | -1.3948 | |
| 145 | P | F | -0.9821 | |
| 146 | G | F | -0.9987 | |
| 147 | L | F | -1.2503 | |
| 148 | K | F | -1.9156 | |
| 149 | W | F | -0.6398 | |
| 150 | Q | F | -0.4423 | |
| 151 | F | F | 0.1185 | |
| 152 | L | F | 0.0000 | |
| 153 | L | F | -0.2343 | |
| 154 | G | F | 0.0000 | |
| 155 | E | F | -1.6980 | |
| 156 | H | F | -2.0464 | |
| 157 | E | F | -1.5765 | |
| 158 | D | F | -1.5132 | |
| 159 | G | F | -0.8074 | |
| 160 | Y | F | -0.6974 | |
| 161 | D | F | -1.0399 | |
| 162 | L | F | 0.0000 | |
| 163 | Y | F | 0.0000 | |
| 164 | G | F | -1.3496 | |
| 165 | D | F | -1.6979 | |
| 166 | G | F | -1.0308 | |
| 167 | V | F | 0.0000 | |
| 168 | I | F | 0.0000 | |
| 169 | R | F | -0.7442 | |
| 170 | M | F | 0.0000 | |
| 171 | F | F | -0.4034 | |
| 172 | Y | F | 0.0000 | |
| 173 | T | F | 0.0000 | |
| 174 | P | F | -0.5048 | |
| 175 | G | F | 0.0000 | |
| 176 | H | F | 0.0000 | |
| 177 | A | F | 0.0000 | |
| 178 | P | F | -0.3413 | |
| 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 | -0.9902 | |
| 187 | L | F | 0.0000 | |
| 188 | P | F | -1.0358 | |
| 189 | S | F | -1.0938 | |
| 190 | A | F | -1.1563 | |
| 191 | E | F | -1.9994 | |
| 192 | K | F | -1.5556 | |
| 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 | -0.5662 | |
| 204 | D | F | -2.1040 | |
| 205 | H | F | 0.0000 | |
| 206 | W | F | -1.0580 | |
| 207 | E | F | -2.0797 | |
| 208 | E | F | -1.8491 | |
| 209 | K | F | -2.4646 | |
| 210 | A | F | -1.3936 | |
| 211 | L | F | -0.4599 | |
| 212 | P | F | 0.0000 | |
| 213 | G | F | 0.0000 | |
| 214 | F | F | 0.3138 | |
| 215 | L | F | 0.0000 | |
| 216 | A | F | 0.0000 | |
| 217 | S | F | -0.2984 | |
| 218 | T | F | 0.0000 | |
| 219 | V | F | -0.3655 | |
| 220 | D | F | -1.1250 | |
| 221 | T | F | 0.0000 | |
| 222 | V | F | 0.0000 | |
| 223 | R | F | -1.3504 | |
| 224 | S | F | 0.0000 | |
| 225 | V | F | 0.0000 | |
| 226 | Q | F | -1.4761 | |
| 227 | K | F | -1.0773 | |
| 228 | L | F | 0.0000 | |
| 229 | R | F | -1.5416 | |
| 230 | A | F | -1.3483 | |
| 231 | L | F | -1.1924 | |
| 232 | A | F | 0.0000 | |
| 233 | E | F | -2.7498 | |
| 234 | H | F | -1.8467 | |
| 235 | E | F | -2.1519 | |
| 236 | E | F | -2.9269 | |
| 237 | A | F | -1.9535 | |
| 238 | H | F | -1.3161 | |
| 239 | V | F | -0.2787 | |
| 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 | -1.1755 | |
| 246 | D | F | -1.7884 | |
| 247 | A | F | -0.7421 | |
| 248 | W | F | 0.0000 | |
| 249 | P | F | -1.1299 | |
| 250 | S | F | -0.9445 | |
| 251 | F | F | -0.7603 | |
| 252 | K | F | -1.7848 | |
| 253 | Q | F | -1.8491 | |
| 254 | A | F | -1.0516 | |
| 255 | P | F | -0.8665 | |
| 256 | A | F | -0.7041 | |
| 257 | Y | F | -0.7159 | |
| 258 | Y | F | -1.2525 | |
| 259 | D | F | -2.0928 |
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 | -0.3417 | 1.3237 | View | CSV | PDB |
| 4.5 | -0.4055 | 1.3116 | View | CSV | PDB |
| 5.0 | -0.483 | 1.2917 | View | CSV | PDB |
| 5.5 | -0.5612 | 1.2681 | View | CSV | PDB |
| 6.0 | -0.626 | 1.2501 | View | CSV | PDB |
| 6.5 | -0.6659 | 1.247 | View | CSV | PDB |
| 7.0 | -0.6801 | 1.2785 | View | CSV | PDB |
| 7.5 | -0.6767 | 1.3988 | View | CSV | PDB |
| 8.0 | -0.6633 | 1.5241 | View | CSV | PDB |
| 8.5 | -0.6416 | 1.6507 | View | CSV | PDB |
| 9.0 | -0.6099 | 1.7766 | 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