| Chain sequence(s) |
A: LTCNTCSVSLIGICLNPATATCSTNTSVCTTGRASFTGVLGFLGFNSQGCTEGAQCNGTVSGSILGASYTVTQTCCSTNNCNPVTS
C: MGKRTQPSWVTVFLFYSGCLFLLTNAQMKIPPETVQKWANSLSEQLNSVAVKYSGSALLQKKLNDVEPVIQIEKLDGAKLAQEFSDEIEKMLGSKMKSVKRLADTVEDADLYHEFNASLEFDYFNSLLINTMDEEGNYIELGGEFPLEDNEHFNNLPVNTLMSDIQVPTNVYNKDPDILNGVYMSEALNDVFISNFQKDPTLTWQFFGSSTGFFRLYPGIKWTADPNGVVAFDCRNRNWYIQAATSPKDIIIVVDISGSMKGLKLTIAKHTINTILDTLGENDFVNIIAYTDYVQYVEPCFKGTLVQADLDNREHFKLLVEDLQVKREGKVKKAMNESFWVLNQATEKGQGSLCNQAIMLITDGAMEDFQSVFEEFNWPERKVRVFTYLIGRDMTFAENVKWIACNNKGYYTHINTLADVQENVMEYLHVLSRPMVIDHDHDIIWTEAYMDSVLFNSMAQSLLLMTTVAMPVFSKKKETMSHGILLGVVGTDIPLVEVMMLAPRYKLGAHGYAFLITNNGYILAHPNLRPLYKDGKKLKPKPNYNSVDLTEAEWEDSNDTLRTAMVKGETGTLELDVRTAVDKGKRSLLLKNKYFYTTIDETPFSFGMVLTQGHGQYVFHGNVSIEEGLHDLQQPDLTIANEWTYCETDIDPQHRKLTQLQAVVRYLTGKEPELECDEVLLQQVLFDAVVTAPLEAYWTALMMSDAGVEDHIETAFLGTRSGLMRITRYIGKEERKGKNFLTPVDKENLFTMDHHPIWYRLAAENKPGQFYYYVPVDDINKEKNMLIAVTAVTVTAQNRIALAGAIGLQMSLNLLERRFWATAKEADDTDCSNVDGLCPLSCESIDINCYLVDNNGFIVISKERSDVGKFFGEVDGSVMAQLLKSGLFKRETLYDYQAMCKNSHHHASAARPLLSPFYNLMAVVKWLFSNLIMFFLEFNISGLWHNGFLVDAKSGYHTTHKQKKVESMVPCNTEYPGFIYDTSIRETNSIIKCGRCQKMFVLQQVLNSNLVMLVVQADCDCSRQYSPITLTPREENAKDCGGACGISVSVALFFTSLVTSLTLR B: LTCNTCSVSLIGICLNPATATCSTNTSVCTTGRASFTGVLGFLGFNSQGCTEGAQCNGTVSGSILGASYTVTQTCCSTNNCNPVTS input PDB |
| Selected Chain(s) | A,B,C |
| 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. (00:00:13)
[INFO] FoldX: Starting FoldX energy minimization (00:00:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:42:06)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f8008f003eeefc6/tmp/folded.pdb (00:42:06)
[INFO] Main: Simulation completed successfully. (00:57:55)
|
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 | L | A | -0.2455 | |
| 2 | T | A | -0.5021 | |
| 3 | C | A | 0.0000 | |
| 4 | N | A | -0.6652 | |
| 5 | T | A | -0.3357 | |
| 6 | C | A | 0.0000 | |
| 7 | S | A | 0.1813 | |
| 8 | V | A | 1.4035 | |
| 9 | S | A | 0.0000 | |
| 10 | L | A | 3.3985 | |
| 11 | I | A | 3.1738 | |
| 12 | G | A | 2.3726 | |
| 13 | I | A | 2.5592 | |
| 14 | C | A | 0.0000 | |
| 15 | L | A | 1.8516 | |
| 16 | N | A | 0.1546 | |
| 17 | P | A | -0.0001 | |
| 18 | A | A | -0.1598 | |
| 19 | T | A | -0.2826 | |
| 20 | A | A | -0.1082 | |
| 21 | T | A | -0.2080 | |
| 22 | C | A | 0.0000 | |
| 23 | S | A | -0.4796 | |
| 24 | T | A | -0.7593 | |
| 25 | N | A | -1.2956 | |
| 26 | T | A | -0.8483 | |
| 27 | S | A | 0.0000 | |
| 28 | V | A | -0.2881 | |
| 29 | C | A | 0.0000 | |
| 30 | T | A | 0.0000 | |
| 31 | T | A | 0.0000 | |
| 32 | G | A | 0.0000 | |
| 33 | R | A | -1.0139 | |
| 34 | A | A | 0.0000 | |
| 35 | S | A | 0.1412 | |
| 36 | F | A | 0.0000 | |
| 37 | T | A | 0.2262 | |
| 38 | G | A | 0.3754 | |
| 39 | V | A | 1.8634 | |
| 40 | L | A | 2.1064 | |
| 41 | G | A | 1.3046 | |
| 42 | F | A | 2.0137 | |
| 43 | L | A | 2.5640 | |
| 44 | G | A | 0.0000 | |
| 45 | F | A | 1.2562 | |
| 46 | N | A | 0.4734 | |
| 47 | S | A | -0.1729 | |
| 48 | Q | A | 0.0000 | |
| 49 | G | A | 0.1427 | |
| 50 | C | A | 0.1573 | |
| 51 | T | A | 0.0000 | |
| 52 | E | A | -1.3176 | |
| 53 | G | A | -1.2690 | |
| 54 | A | A | -1.1199 | |
| 55 | Q | A | -1.9772 | |
| 56 | C | A | 0.0000 | |
| 57 | N | A | -1.7467 | |
| 58 | G | A | -0.8756 | |
| 59 | T | A | -0.1370 | |
| 60 | V | A | 0.8886 | |
| 61 | S | A | 0.1352 | |
| 62 | G | A | -0.1968 | |
| 63 | S | A | -0.0909 | |
| 64 | I | A | 0.0000 | |
| 65 | L | A | 1.4104 | |
| 66 | G | A | 0.1157 | |
| 67 | A | A | 0.2795 | |
| 68 | S | A | -0.1920 | |
| 69 | Y | A | 0.0000 | |
| 70 | T | A | -0.1369 | |
| 71 | V | A | 0.0000 | |
| 72 | T | A | -0.5546 | |
| 73 | Q | A | 0.0000 | |
| 74 | T | A | -0.7587 | |
| 75 | C | A | -0.3470 | |
| 76 | C | A | -0.1899 | |
| 77 | S | A | -0.2917 | |
| 78 | T | A | -0.7191 | |
| 79 | N | A | -1.5233 | |
| 80 | N | A | -1.4193 | |
| 81 | C | A | -0.6669 | |
| 82 | N | A | 0.0000 | |
| 83 | P | A | -0.3445 | |
| 84 | V | A | -0.0308 | |
| 85 | T | A | 0.3729 | |
| 86 | S | A | 0.3078 | |
| 1 | L | B | -0.2313 | |
| 2 | T | B | -0.4849 | |
| 3 | C | B | 0.0000 | |
| 4 | N | B | -0.6412 | |
| 5 | T | B | -0.2543 | |
| 6 | C | B | 0.0000 | |
| 7 | S | B | 0.4696 | |
| 8 | V | B | 2.1513 | |
| 9 | S | B | 2.5216 | |
| 10 | L | B | 3.5576 | |
| 11 | I | B | 3.0752 | |
| 12 | G | B | 2.4409 | |
| 13 | I | B | 2.6389 | |
| 14 | C | B | 0.0000 | |
| 15 | L | B | 2.0527 | |
| 16 | N | B | 0.3526 | |
| 17 | P | B | 0.1405 | |
| 18 | A | B | -0.1341 | |
| 19 | T | B | -0.3877 | |
| 20 | A | B | -0.0953 | |
| 21 | T | B | -0.1781 | |
| 22 | C | B | -0.1804 | |
| 23 | S | B | -0.2336 | |
| 24 | T | B | -0.5540 | |
| 25 | N | B | -1.2450 | |
| 26 | T | B | -0.7848 | |
| 27 | S | B | 0.0000 | |
| 28 | V | B | -0.2336 | |
| 29 | C | B | 0.0000 | |
| 30 | T | B | 0.0000 | |
| 31 | T | B | 0.0000 | |
| 32 | G | B | -1.0163 | |
| 33 | R | B | -1.3294 | |
| 34 | A | B | -0.0874 | |
| 35 | S | B | 0.4054 | |
| 36 | F | B | 1.0154 | |
| 37 | T | B | 0.5550 | |
| 38 | G | B | 0.5017 | |
| 39 | V | B | 2.0325 | |
| 40 | L | B | 2.1882 | |
| 41 | G | B | 1.3497 | |
| 42 | F | B | 2.1371 | |
| 43 | L | B | 2.7361 | |
| 44 | G | B | 0.0000 | |
| 45 | F | B | 1.7264 | |
| 46 | N | B | 0.6012 | |
| 47 | S | B | -0.1610 | |
| 48 | Q | B | 0.0000 | |
| 49 | G | B | 0.0179 | |
| 50 | C | B | 0.3274 | |
| 51 | T | B | 0.0000 | |
| 52 | E | B | -0.8962 | |
| 53 | G | B | -0.9954 | |
| 54 | A | B | -0.9324 | |
| 55 | Q | B | -1.7999 | |
| 56 | C | B | 0.0000 | |
| 57 | N | B | -1.9201 | |
| 58 | G | B | -0.9802 | |
| 59 | T | B | -0.0922 | |
| 60 | V | B | 1.2333 | |
| 61 | S | B | 0.3977 | |
| 62 | G | B | -0.0106 | |
| 63 | S | B | -0.0085 | |
| 64 | I | B | 0.8927 | |
| 65 | L | B | 1.3520 | |
| 66 | G | B | 0.1946 | |
| 67 | A | B | 0.3519 | |
| 68 | S | B | -0.0011 | |
| 69 | Y | B | 0.2509 | |
| 70 | T | B | 0.1115 | |
| 71 | V | B | 0.1270 | |
| 72 | T | B | -0.7352 | |
| 73 | Q | B | -1.1732 | |
| 74 | T | B | -1.0113 | |
| 75 | C | B | -0.4976 | |
| 76 | C | B | -0.1949 | |
| 77 | S | B | -0.2899 | |
| 78 | T | B | -0.7168 | |
| 79 | N | B | -1.5236 | |
| 80 | N | B | -1.4024 | |
| 81 | C | B | -0.6579 | |
| 82 | N | B | 0.0000 | |
| 83 | P | B | -0.3092 | |
| 84 | V | B | 0.0213 | |
| 85 | T | B | 0.3957 | |
| 86 | S | B | 0.3097 | |
| 1 | M | C | 0.1564 | |
| 2 | G | C | -1.3317 | |
| 3 | K | C | -2.7032 | |
| 4 | R | C | -3.0564 | |
| 5 | T | C | -2.1718 | |
| 6 | Q | C | -1.9522 | |
| 7 | P | C | -0.4949 | |
| 8 | S | C | 0.4799 | |
| 9 | W | C | 1.9678 | |
| 10 | V | C | 3.0399 | |
| 11 | T | C | 2.7997 | |
| 12 | V | C | 4.1367 | |
| 13 | F | C | 4.5755 | |
| 14 | L | C | 4.3577 | |
| 15 | F | C | 4.0425 | |
| 16 | Y | C | 2.8832 | |
| 17 | S | C | 1.5099 | |
| 18 | G | C | 1.3043 | |
| 19 | C | C | 2.2760 | |
| 20 | L | C | 3.4521 | |
| 21 | F | C | 4.1455 | |
| 22 | L | C | 3.6838 | |
| 23 | L | C | 2.7475 | |
| 24 | T | C | 0.8144 | |
| 25 | N | C | -0.7971 | |
| 26 | A | C | -0.7905 | |
| 27 | Q | C | -1.3880 | |
| 28 | M | C | -1.2887 | |
| 29 | K | C | -1.2009 | |
| 30 | I | C | 0.0000 | |
| 31 | P | C | 0.0000 | |
| 32 | P | C | -2.1064 | |
| 33 | E | C | -2.4293 | |
| 34 | T | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | Q | C | -2.6577 | |
| 37 | K | C | -2.6738 | |
| 38 | W | C | 0.0000 | |
| 39 | A | C | 0.0000 | |
| 40 | N | C | -1.8300 | |
| 41 | S | C | -1.5523 | |
| 42 | L | C | 0.0000 | |
| 43 | S | C | 0.0000 | |
| 44 | E | C | -2.2942 | |
| 45 | Q | C | -1.4668 | |
| 46 | L | C | 0.0000 | |
| 47 | N | C | -1.1439 | |
| 48 | S | C | -1.0563 | |
| 49 | V | C | 0.0000 | |
| 50 | A | C | 0.0000 | |
| 51 | V | C | -0.1178 | |
| 52 | K | C | -0.9955 | |
| 53 | Y | C | -0.3186 | |
| 54 | S | C | 0.0000 | |
| 55 | G | C | 0.0000 | |
| 56 | S | C | 0.0000 | |
| 57 | A | C | -0.5286 | |
| 58 | L | C | -0.5006 | |
| 59 | L | C | 0.0000 | |
| 60 | Q | C | -1.6300 | |
| 61 | K | C | -2.6401 | |
| 62 | K | C | -2.0162 | |
| 63 | L | C | 0.0000 | |
| 64 | N | C | -2.5738 | |
| 65 | D | C | -2.6228 | |
| 66 | V | C | -1.0470 | |
| 67 | E | C | -1.0969 | |
| 68 | P | C | -0.2514 | |
| 69 | V | C | 0.9278 | |
| 70 | I | C | 0.0000 | |
| 71 | Q | C | -1.2819 | |
| 72 | I | C | 0.0000 | |
| 73 | E | C | -2.0917 | |
| 74 | K | C | -1.9365 | |
| 75 | L | C | -1.3843 | |
| 76 | D | C | -1.8765 | |
| 77 | G | C | 0.0000 | |
| 78 | A | C | -1.4712 | |
| 79 | K | C | -2.6368 | |
| 80 | L | C | -1.9755 | |
| 81 | A | C | 0.0000 | |
| 82 | Q | C | -2.7054 | |
| 83 | E | C | -3.4202 | |
| 84 | F | C | 0.0000 | |
| 85 | S | C | 0.0000 | |
| 86 | D | C | -3.8360 | |
| 87 | E | C | -3.2371 | |
| 88 | I | C | 0.0000 | |
| 89 | E | C | -3.5173 | |
| 90 | K | C | -3.0919 | |
| 91 | M | C | -1.5417 | |
| 92 | L | C | 0.0000 | |
| 93 | G | C | 0.0000 | |
| 94 | S | C | -1.5562 | |
| 95 | K | C | 0.0000 | |
| 96 | M | C | 0.0000 | |
| 97 | K | C | -2.2991 | |
| 98 | S | C | 0.0000 | |
| 99 | V | C | 0.0000 | |
| 100 | K | C | -2.5676 | |
| 101 | R | C | -2.1953 | |
| 102 | L | C | 0.0000 | |
| 103 | A | C | 0.0000 | |
| 104 | D | C | -2.6282 | |
| 105 | T | C | -1.6497 | |
| 106 | V | C | 0.0000 | |
| 107 | E | C | 0.0000 | |
| 108 | D | C | -1.2775 | |
| 109 | A | C | -0.4813 | |
| 110 | D | C | 0.0000 | |
| 111 | L | C | -0.0633 | |
| 112 | Y | C | 0.8964 | |
| 113 | H | C | 0.1565 | |
| 114 | E | C | -0.6942 | |
| 115 | F | C | 0.5541 | |
| 116 | N | C | -0.7049 | |
| 117 | A | C | -0.7039 | |
| 118 | S | C | -0.6002 | |
| 119 | L | C | -0.8982 | |
| 120 | E | C | -2.1009 | |
| 121 | F | C | -1.5267 | |
| 122 | D | C | -2.2750 | |
| 123 | Y | C | 0.0000 | |
| 124 | F | C | -0.3176 | |
| 125 | N | C | 0.0000 | |
| 126 | S | C | 0.0000 | |
| 127 | L | C | 0.2189 | |
| 128 | L | C | 0.0930 | |
| 129 | I | C | 0.0000 | |
| 130 | N | C | -0.9256 | |
| 131 | T | C | -0.5105 | |
| 132 | M | C | -1.2027 | |
| 133 | D | C | -2.4706 | |
| 134 | E | C | -3.2100 | |
| 135 | E | C | -3.3311 | |
| 136 | G | C | -2.3897 | |
| 137 | N | C | -2.5620 | |
| 138 | Y | C | -1.4214 | |
| 139 | I | C | -1.3379 | |
| 140 | E | C | -1.9461 | |
| 141 | L | C | 0.0000 | |
| 142 | G | C | 0.0000 | |
| 143 | G | C | -1.4492 | |
| 144 | E | C | -1.8431 | |
| 145 | F | C | 0.0000 | |
| 146 | P | C | -0.9288 | |
| 147 | L | C | -1.2748 | |
| 148 | E | C | -2.9414 | |
| 149 | D | C | -3.6534 | |
| 150 | N | C | -3.0419 | |
| 151 | E | C | -3.6769 | |
| 152 | H | C | -2.0069 | |
| 153 | F | C | 0.0000 | |
| 154 | N | C | -2.7067 | |
| 155 | N | C | -3.4021 | |
| 156 | L | C | -2.1655 | |
| 157 | P | C | -2.2675 | |
| 158 | V | C | 0.0000 | |
| 159 | N | C | 0.0000 | |
| 160 | T | C | 0.6889 | |
| 161 | L | C | 1.5451 | |
| 162 | M | C | 0.6737 | |
| 163 | S | C | 0.0000 | |
| 164 | D | C | 0.0000 | |
| 165 | I | C | 0.0000 | |
| 166 | Q | C | 0.0000 | |
| 167 | V | C | 0.0000 | |
| 168 | P | C | 0.0000 | |
| 169 | T | C | -0.1448 | |
| 170 | N | C | -0.8759 | |
| 171 | V | C | -0.0437 | |
| 172 | Y | C | 0.2675 | |
| 173 | N | C | -0.6736 | |
| 174 | K | C | -1.6276 | |
| 175 | D | C | -1.3591 | |
| 176 | P | C | -1.5187 | |
| 177 | D | C | -1.7364 | |
| 178 | I | C | 0.0000 | |
| 179 | L | C | 0.0000 | |
| 180 | N | C | 0.0000 | |
| 181 | G | C | -0.1239 | |
| 182 | V | C | 0.0000 | |
| 183 | Y | C | 0.3286 | |
| 184 | M | C | 0.4426 | |
| 185 | S | C | 0.0000 | |
| 186 | E | C | -0.7055 | |
| 187 | A | C | -0.7483 | |
| 188 | L | C | 0.0000 | |
| 189 | N | C | -0.6823 | |
| 190 | D | C | -1.3451 | |
| 191 | V | C | -0.7278 | |
| 192 | F | C | 0.0000 | |
| 193 | I | C | 0.1088 | |
| 194 | S | C | -0.9733 | |
| 195 | N | C | 0.0000 | |
| 196 | F | C | -0.7923 | |
| 197 | Q | C | -1.6828 | |
| 198 | K | C | -2.2160 | |
| 199 | D | C | -1.1812 | |
| 200 | P | C | -0.8890 | |
| 201 | T | C | -0.5454 | |
| 202 | L | C | 0.0000 | |
| 203 | T | C | 0.0000 | |
| 204 | W | C | 0.0000 | |
| 205 | Q | C | 0.0000 | |
| 206 | F | C | 0.0000 | |
| 207 | F | C | 0.0000 | |
| 208 | G | C | 0.0000 | |
| 209 | S | C | 0.0000 | |
| 210 | S | C | -0.1501 | |
| 211 | T | C | -0.4572 | |
| 212 | G | C | 0.0000 | |
| 213 | F | C | 0.0000 | |
| 214 | F | C | 0.0000 | |
| 215 | R | C | 0.0000 | |
| 216 | L | C | 0.0000 | |
| 217 | Y | C | 0.0000 | |
| 218 | P | C | 0.0000 | |
| 219 | G | C | 0.0000 | |
| 220 | I | C | 0.0000 | |
| 221 | K | C | -0.7483 | |
| 222 | W | C | 0.0000 | |
| 223 | T | C | -0.5053 | |
| 224 | A | C | -0.7269 | |
| 225 | D | C | -1.3864 | |
| 226 | P | C | -1.2475 | |
| 227 | N | C | -1.5639 | |
| 228 | G | C | -0.8932 | |
| 229 | V | C | 0.0016 | |
| 230 | V | C | 0.0000 | |
| 231 | A | C | 0.3067 | |
| 232 | F | C | 0.0000 | |
| 233 | D | C | 0.0000 | |
| 234 | C | C | 0.0000 | |
| 235 | R | C | -0.4954 | |
| 236 | N | C | -1.0427 | |
| 237 | R | C | -0.8813 | |
| 238 | N | C | -0.8493 | |
| 239 | W | C | 0.0000 | |
| 240 | Y | C | 0.0000 | |
| 241 | I | C | 0.0000 | |
| 242 | Q | C | -0.5100 | |
| 243 | A | C | 0.0000 | |
| 244 | A | C | 0.0000 | |
| 245 | T | C | 0.0000 | |
| 246 | S | C | -0.5216 | |
| 247 | P | C | 0.0155 | |
| 248 | K | C | 0.0000 | |
| 249 | D | C | 0.0000 | |
| 250 | I | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | I | C | 0.0000 | |
| 253 | V | C | 0.0000 | |
| 254 | V | C | 0.0000 | |
| 255 | D | C | 0.0000 | |
| 256 | I | C | 0.0000 | |
| 257 | S | C | 0.0000 | |
| 258 | G | C | -2.5421 | |
| 259 | S | C | -1.7200 | |
| 260 | M | C | 0.0000 | |
| 261 | K | C | -2.1053 | |
| 262 | G | C | -0.8076 | |
| 263 | L | C | 0.7920 | |
| 264 | K | C | -0.5632 | |
| 265 | L | C | -0.8069 | |
| 266 | T | C | -0.2729 | |
| 267 | I | C | 0.0000 | |
| 268 | A | C | 0.0000 | |
| 269 | K | C | -1.0689 | |
| 270 | H | C | -1.0908 | |
| 271 | T | C | 0.0000 | |
| 272 | I | C | 0.0000 | |
| 273 | N | C | -1.2908 | |
| 274 | T | C | -1.2691 | |
| 275 | I | C | 0.0000 | |
| 276 | L | C | 0.0000 | |
| 277 | D | C | -2.1006 | |
| 278 | T | C | 0.0000 | |
| 279 | L | C | 0.0000 | |
| 280 | G | C | 0.0000 | |
| 281 | E | C | 0.0000 | |
| 282 | N | C | -0.9924 | |
| 283 | D | C | 0.0000 | |
| 284 | F | C | 0.1243 | |
| 285 | V | C | 0.0000 | |
| 286 | N | C | 0.0000 | |
| 287 | I | C | 0.0000 | |
| 288 | I | C | 0.0000 | |
| 289 | A | C | 0.0000 | |
| 290 | Y | C | 0.0000 | |
| 291 | T | C | 0.0000 | |
| 292 | D | C | -1.7380 | |
| 293 | Y | C | -0.4023 | |
| 294 | V | C | -0.2587 | |
| 295 | Q | C | -0.4769 | |
| 296 | Y | C | 0.0000 | |
| 297 | V | C | -0.3798 | |
| 298 | E | C | 0.0000 | |
| 299 | P | C | -0.8308 | |
| 300 | C | C | 0.0000 | |
| 301 | F | C | 0.0000 | |
| 302 | K | C | -1.6043 | |
| 303 | G | C | -0.7178 | |
| 304 | T | C | -0.2346 | |
| 305 | L | C | 0.0000 | |
| 306 | V | C | 0.0000 | |
| 307 | Q | C | 0.0000 | |
| 308 | A | C | 0.0000 | |
| 309 | D | C | 0.0000 | |
| 310 | L | C | -0.3699 | |
| 311 | D | C | -0.4541 | |
| 312 | N | C | 0.0000 | |
| 313 | R | C | -0.7820 | |
| 314 | E | C | -0.7958 | |
| 315 | H | C | 0.0000 | |
| 316 | F | C | 0.0000 | |
| 317 | K | C | -0.9342 | |
| 318 | L | C | 0.1794 | |
| 319 | L | C | -0.3884 | |
| 320 | V | C | 0.0000 | |
| 321 | E | C | -2.4467 | |
| 322 | D | C | -2.5035 | |
| 323 | L | C | -1.6707 | |
| 324 | Q | C | -2.3910 | |
| 325 | V | C | 0.0000 | |
| 326 | K | C | -3.0108 | |
| 327 | R | C | -3.4612 | |
| 328 | E | C | -3.2884 | |
| 329 | G | C | -2.0647 | |
| 330 | K | C | -2.0033 | |
| 331 | V | C | 0.0000 | |
| 332 | K | C | -2.2924 | |
| 333 | K | C | -1.9112 | |
| 334 | A | C | 0.0000 | |
| 335 | M | C | 0.0000 | |
| 336 | N | C | -1.3731 | |
| 337 | E | C | -0.8604 | |
| 338 | S | C | 0.0000 | |
| 339 | F | C | 0.0000 | |
| 340 | W | C | 0.1749 | |
| 341 | V | C | 0.0000 | |
| 342 | L | C | 0.0000 | |
| 343 | N | C | -1.0322 | |
| 344 | Q | C | -1.5341 | |
| 345 | A | C | 0.0000 | |
| 346 | T | C | -1.4009 | |
| 347 | E | C | -2.8782 | |
| 348 | K | C | -3.0266 | |
| 349 | G | C | -1.7219 | |
| 350 | Q | C | -1.0483 | |
| 351 | G | C | 0.0066 | |
| 352 | S | C | 0.5777 | |
| 353 | L | C | 1.4501 | |
| 354 | C | C | 1.2734 | |
| 355 | N | C | 0.2024 | |
| 356 | Q | C | -0.0861 | |
| 357 | A | C | 0.0000 | |
| 358 | I | C | 0.0000 | |
| 359 | M | C | 0.0000 | |
| 360 | L | C | 0.0000 | |
| 361 | I | C | 0.0000 | |
| 362 | T | C | 0.0000 | |
| 363 | D | C | -0.6711 | |
| 364 | G | C | 0.0000 | |
| 365 | A | C | 0.0000 | |
| 366 | M | C | -0.6935 | |
| 367 | E | C | -2.4933 | |
| 368 | D | C | -2.9240 | |
| 369 | F | C | 0.0000 | |
| 370 | Q | C | -2.5004 | |
| 371 | S | C | -2.3015 | |
| 372 | V | C | 0.0000 | |
| 373 | F | C | 0.0000 | |
| 374 | E | C | -3.0287 | |
| 375 | E | C | -2.6965 | |
| 376 | F | C | -1.3884 | |
| 377 | N | C | 0.0000 | |
| 378 | W | C | -1.9052 | |
| 379 | P | C | -1.7800 | |
| 380 | E | C | -2.4883 | |
| 381 | R | C | -2.3933 | |
| 382 | K | C | -2.0486 | |
| 383 | V | C | 0.0000 | |
| 384 | R | C | -1.1159 | |
| 385 | V | C | 0.0000 | |
| 386 | F | C | 0.0000 | |
| 387 | T | C | 0.0000 | |
| 388 | Y | C | 0.0000 | |
| 389 | L | C | 0.0000 | |
| 390 | I | C | 0.0000 | |
| 391 | G | C | 0.0000 | |
| 392 | R | C | -2.5956 | |
| 393 | D | C | -2.0371 | |
| 394 | M | C | -0.6310 | |
| 395 | T | C | -0.4192 | |
| 396 | F | C | -0.2455 | |
| 397 | A | C | 0.0000 | |
| 398 | E | C | -1.8112 | |
| 399 | N | C | -1.2758 | |
| 400 | V | C | 0.0000 | |
| 401 | K | C | -1.1224 | |
| 402 | W | C | -0.5225 | |
| 403 | I | C | 0.0000 | |
| 404 | A | C | 0.0000 | |
| 405 | C | C | 0.0527 | |
| 406 | N | C | -0.5832 | |
| 407 | N | C | 0.0000 | |
| 408 | K | C | -1.7573 | |
| 409 | G | C | -0.5641 | |
| 410 | Y | C | 0.1721 | |
| 411 | Y | C | 0.0336 | |
| 412 | T | C | 0.0000 | |
| 413 | H | C | -0.8205 | |
| 414 | I | C | 0.0000 | |
| 415 | N | C | -1.0210 | |
| 416 | T | C | -0.1374 | |
| 417 | L | C | 0.3449 | |
| 418 | A | C | -0.3101 | |
| 419 | D | C | -0.9080 | |
| 420 | V | C | 0.0000 | |
| 421 | Q | C | -1.2565 | |
| 422 | E | C | -1.9168 | |
| 423 | N | C | -1.2020 | |
| 424 | V | C | 0.0000 | |
| 425 | M | C | 0.0000 | |
| 426 | E | C | -1.0673 | |
| 427 | Y | C | 0.0000 | |
| 428 | L | C | 0.0000 | |
| 429 | H | C | -0.7937 | |
| 430 | V | C | -0.7103 | |
| 431 | L | C | 0.0000 | |
| 432 | S | C | 0.0000 | |
| 433 | R | C | -1.2773 | |
| 434 | P | C | -1.1121 | |
| 435 | M | C | -1.4381 | |
| 436 | V | C | 0.0000 | |
| 437 | I | C | -0.3369 | |
| 438 | D | C | -2.1053 | |
| 439 | H | C | -2.2340 | |
| 440 | D | C | -2.9910 | |
| 441 | H | C | -2.4275 | |
| 442 | D | C | -2.3580 | |
| 443 | I | C | -1.1436 | |
| 444 | I | C | -0.1431 | |
| 445 | W | C | 0.0000 | |
| 446 | T | C | 0.0000 | |
| 447 | E | C | 0.0000 | |
| 448 | A | C | 0.0000 | |
| 449 | Y | C | 0.2221 | |
| 450 | M | C | 0.0000 | |
| 451 | D | C | 0.0000 | |
| 452 | S | C | 0.3868 | |
| 453 | V | C | 1.0221 | |
| 454 | L | C | 0.4306 | |
| 455 | F | C | 0.0000 | |
| 456 | N | C | -0.8599 | |
| 457 | S | C | -0.3936 | |
| 458 | M | C | 0.8300 | |
| 459 | A | C | 0.0895 | |
| 460 | Q | C | 0.0000 | |
| 461 | S | C | 0.4141 | |
| 462 | L | C | 0.5409 | |
| 463 | L | C | 0.7535 | |
| 464 | L | C | 0.6069 | |
| 465 | M | C | 0.0000 | |
| 466 | T | C | 0.0000 | |
| 467 | T | C | 0.0000 | |
| 468 | V | C | 0.0000 | |
| 469 | A | C | 0.0000 | |
| 470 | M | C | 0.0000 | |
| 471 | P | C | 0.0000 | |
| 472 | V | C | 0.0000 | |
| 473 | F | C | 0.0000 | |
| 474 | S | C | 0.0000 | |
| 475 | K | C | -1.5777 | |
| 476 | K | C | -1.7822 | |
| 477 | K | C | -2.9586 | |
| 478 | E | C | -3.0020 | |
| 479 | T | C | -1.7756 | |
| 480 | M | C | -1.3837 | |
| 481 | S | C | -1.2631 | |
| 482 | H | C | -1.1740 | |
| 483 | G | C | -0.4293 | |
| 484 | I | C | 0.4424 | |
| 485 | L | C | 0.2740 | |
| 486 | L | C | 0.3504 | |
| 487 | G | C | 0.0000 | |
| 488 | V | C | 0.0000 | |
| 489 | V | C | 0.0000 | |
| 490 | G | C | 0.0000 | |
| 491 | T | C | 0.0000 | |
| 492 | D | C | 0.0000 | |
| 493 | I | C | 0.0000 | |
| 494 | P | C | 0.0000 | |
| 495 | L | C | 0.0000 | |
| 496 | V | C | 0.9024 | |
| 497 | E | C | 0.3687 | |
| 498 | V | C | 0.0000 | |
| 499 | M | C | 0.4681 | |
| 500 | M | C | 0.4311 | |
| 501 | L | C | -0.0682 | |
| 502 | A | C | 0.0000 | |
| 503 | P | C | -0.0522 | |
| 504 | R | C | -0.5256 | |
| 505 | Y | C | 0.0000 | |
| 506 | K | C | -0.2991 | |
| 507 | L | C | 0.0000 | |
| 508 | G | C | 0.0000 | |
| 509 | A | C | 0.0000 | |
| 510 | H | C | 0.0000 | |
| 511 | G | C | 0.0000 | |
| 512 | Y | C | 0.0000 | |
| 513 | A | C | 0.0000 | |
| 514 | F | C | 0.0000 | |
| 515 | L | C | 0.0000 | |
| 516 | I | C | 0.0000 | |
| 517 | T | C | 0.0000 | |
| 518 | N | C | -1.7951 | |
| 519 | N | C | -1.0549 | |
| 520 | G | C | 0.0000 | |
| 521 | Y | C | 0.0000 | |
| 522 | I | C | 0.0000 | |
| 523 | L | C | 0.0000 | |
| 524 | A | C | 0.1263 | |
| 525 | H | C | 0.0000 | |
| 526 | P | C | -1.2169 | |
| 527 | N | C | -1.4965 | |
| 528 | L | C | -0.9081 | |
| 529 | R | C | -1.3235 | |
| 530 | P | C | -0.4704 | |
| 531 | L | C | -0.6352 | |
| 532 | Y | C | -1.2277 | |
| 533 | K | C | -2.8838 | |
| 534 | D | C | -2.9161 | |
| 535 | G | C | -2.6033 | |
| 536 | K | C | -3.3351 | |
| 537 | K | C | -3.2910 | |
| 538 | L | C | -1.7512 | |
| 539 | K | C | -1.4817 | |
| 540 | P | C | -0.5101 | |
| 541 | K | C | 0.0000 | |
| 542 | P | C | -0.1495 | |
| 543 | N | C | -0.1667 | |
| 544 | Y | C | -0.0579 | |
| 545 | N | C | 0.0000 | |
| 546 | S | C | 0.0000 | |
| 547 | V | C | 0.0000 | |
| 548 | D | C | 0.0000 | |
| 549 | L | C | 0.0000 | |
| 550 | T | C | -0.3603 | |
| 551 | E | C | -0.2808 | |
| 552 | A | C | 0.0000 | |
| 553 | E | C | 0.0000 | |
| 554 | W | C | -0.2384 | |
| 555 | E | C | -0.8096 | |
| 556 | D | C | 0.0000 | |
| 557 | S | C | -0.8362 | |
| 558 | N | C | -1.4110 | |
| 559 | D | C | -0.8229 | |
| 560 | T | C | -0.5697 | |
| 561 | L | C | 0.0000 | |
| 562 | R | C | 0.0000 | |
| 563 | T | C | -1.0055 | |
| 564 | A | C | 0.0000 | |
| 565 | M | C | 0.0000 | |
| 566 | V | C | -1.5461 | |
| 567 | K | C | -2.5486 | |
| 568 | G | C | -2.3006 | |
| 569 | E | C | -2.4012 | |
| 570 | T | C | -1.2914 | |
| 571 | G | C | -0.5212 | |
| 572 | T | C | -0.6080 | |
| 573 | L | C | -0.6979 | |
| 574 | E | C | -2.4807 | |
| 575 | L | C | -2.0650 | |
| 576 | D | C | -2.5985 | |
| 577 | V | C | 0.0000 | |
| 578 | R | C | -0.6685 | |
| 579 | T | C | -0.2863 | |
| 580 | A | C | -0.6528 | |
| 581 | V | C | 0.0000 | |
| 582 | D | C | -1.6251 | |
| 583 | K | C | -2.3868 | |
| 584 | G | C | -1.5096 | |
| 585 | K | C | -1.7157 | |
| 586 | R | C | 0.0000 | |
| 587 | S | C | 0.0000 | |
| 588 | L | C | 0.2664 | |
| 589 | L | C | 0.1187 | |
| 590 | L | C | 0.0000 | |
| 591 | K | C | -2.5619 | |
| 592 | N | C | 0.0000 | |
| 593 | K | C | -1.7489 | |
| 594 | Y | C | 0.0000 | |
| 595 | F | C | 0.0000 | |
| 596 | Y | C | -0.3521 | |
| 597 | T | C | 0.0000 | |
| 598 | T | C | -1.9805 | |
| 599 | I | C | 0.0000 | |
| 600 | D | C | -3.3485 | |
| 601 | E | C | -2.8344 | |
| 602 | T | C | -1.7478 | |
| 603 | P | C | -1.3845 | |
| 604 | F | C | 0.0000 | |
| 605 | S | C | 0.0000 | |
| 606 | F | C | 0.0000 | |
| 607 | G | C | 0.0000 | |
| 608 | M | C | 0.0000 | |
| 609 | V | C | 0.0000 | |
| 610 | L | C | 0.0000 | |
| 611 | T | C | 0.0000 | |
| 612 | Q | C | -1.6148 | |
| 613 | G | C | -0.9890 | |
| 614 | H | C | -0.4730 | |
| 615 | G | C | 0.0000 | |
| 616 | Q | C | -1.0826 | |
| 617 | Y | C | -0.7489 | |
| 618 | V | C | -0.4955 | |
| 619 | F | C | 0.0000 | |
| 620 | H | C | -0.7292 | |
| 621 | G | C | 0.0000 | |
| 622 | N | C | -0.9906 | |
| 623 | V | C | -0.8112 | |
| 624 | S | C | -0.8972 | |
| 625 | I | C | -0.6554 | |
| 626 | E | C | -2.4156 | |
| 627 | E | C | -2.6584 | |
| 628 | G | C | 0.0000 | |
| 629 | L | C | 0.0000 | |
| 630 | H | C | -2.3761 | |
| 631 | D | C | -1.7475 | |
| 632 | L | C | 0.0000 | |
| 633 | Q | C | -1.8084 | |
| 634 | Q | C | -1.4047 | |
| 635 | P | C | -0.8708 | |
| 636 | D | C | -0.7597 | |
| 637 | L | C | 0.0000 | |
| 638 | T | C | -0.4132 | |
| 639 | I | C | 0.0000 | |
| 640 | A | C | 0.0000 | |
| 641 | N | C | -1.9447 | |
| 642 | E | C | -2.2378 | |
| 643 | W | C | 0.0000 | |
| 644 | T | C | -1.0055 | |
| 645 | Y | C | 0.0000 | |
| 646 | C | C | 0.0000 | |
| 647 | E | C | -1.4727 | |
| 648 | T | C | -1.5504 | |
| 649 | D | C | -1.7261 | |
| 650 | I | C | -0.9471 | |
| 651 | D | C | -1.5278 | |
| 652 | P | C | -1.7856 | |
| 653 | Q | C | -2.0103 | |
| 654 | H | C | 0.0000 | |
| 655 | R | C | -2.2112 | |
| 656 | K | C | -2.6027 | |
| 657 | L | C | -1.4033 | |
| 658 | T | C | -1.0151 | |
| 659 | Q | C | 0.0000 | |
| 660 | L | C | -0.5351 | |
| 661 | Q | C | -1.1447 | |
| 662 | A | C | 0.0000 | |
| 663 | V | C | 0.0000 | |
| 664 | V | C | -0.8655 | |
| 665 | R | C | -1.6189 | |
| 666 | Y | C | -1.4478 | |
| 667 | L | C | -0.4961 | |
| 668 | T | C | -1.0169 | |
| 669 | G | C | -1.7386 | |
| 670 | K | C | -2.5301 | |
| 671 | E | C | -2.2492 | |
| 672 | P | C | -2.1873 | |
| 673 | E | C | -2.7556 | |
| 674 | L | C | 0.0000 | |
| 675 | E | C | -2.7360 | |
| 676 | C | C | -1.7587 | |
| 677 | D | C | -1.5742 | |
| 678 | E | C | -1.9890 | |
| 679 | V | C | -0.3929 | |
| 680 | L | C | 0.0000 | |
| 681 | L | C | 0.0000 | |
| 682 | Q | C | -1.0255 | |
| 683 | Q | C | -0.6851 | |
| 684 | V | C | 0.0000 | |
| 685 | L | C | 0.0000 | |
| 686 | F | C | 0.0000 | |
| 687 | D | C | 0.0000 | |
| 688 | A | C | 0.0000 | |
| 689 | V | C | -0.2976 | |
| 690 | V | C | 0.0000 | |
| 691 | T | C | 0.0000 | |
| 692 | A | C | -0.3595 | |
| 693 | P | C | -0.1850 | |
| 694 | L | C | 0.0000 | |
| 695 | E | C | -0.7192 | |
| 696 | A | C | -0.1541 | |
| 697 | Y | C | 0.1444 | |
| 698 | W | C | 0.0000 | |
| 699 | T | C | 0.2572 | |
| 700 | A | C | 0.3432 | |
| 701 | L | C | 0.0000 | |
| 702 | M | C | 0.6456 | |
| 703 | M | C | 0.8187 | |
| 704 | S | C | -0.2979 | |
| 705 | D | C | -1.4983 | |
| 706 | A | C | -0.7008 | |
| 707 | G | C | -0.5028 | |
| 708 | V | C | -0.4523 | |
| 709 | E | C | -1.2511 | |
| 710 | D | C | -2.0395 | |
| 711 | H | C | -1.4955 | |
| 712 | I | C | 0.0000 | |
| 713 | E | C | 0.0000 | |
| 714 | T | C | 0.0000 | |
| 715 | A | C | 0.0000 | |
| 716 | F | C | 0.0000 | |
| 717 | L | C | 0.0000 | |
| 718 | G | C | 0.0000 | |
| 719 | T | C | 0.0000 | |
| 720 | R | C | 0.0000 | |
| 721 | S | C | 0.0000 | |
| 722 | G | C | 0.0000 | |
| 723 | L | C | 0.0000 | |
| 724 | M | C | 0.0000 | |
| 725 | R | C | 0.0000 | |
| 726 | I | C | -0.0067 | |
| 727 | T | C | -0.2287 | |
| 728 | R | C | -0.5595 | |
| 729 | Y | C | -0.2856 | |
| 730 | I | C | -1.3206 | |
| 731 | G | C | -2.5665 | |
| 732 | K | C | -3.9336 | |
| 733 | E | C | -4.0602 | |
| 734 | E | C | -3.7860 | |
| 735 | R | C | 0.0000 | |
| 736 | K | C | -3.0976 | |
| 737 | G | C | 0.0000 | |
| 738 | K | C | -3.0038 | |
| 739 | N | C | -0.8984 | |
| 740 | F | C | 0.0000 | |
| 741 | L | C | 0.0000 | |
| 742 | T | C | -0.0363 | |
| 743 | P | C | 0.0906 | |
| 744 | V | C | 1.2452 | |
| 745 | D | C | 0.0000 | |
| 746 | K | C | -0.9359 | |
| 747 | E | C | -1.5062 | |
| 748 | N | C | 0.0000 | |
| 749 | L | C | -0.5789 | |
| 750 | F | C | 0.0000 | |
| 751 | T | C | 0.0000 | |
| 752 | M | C | -1.1305 | |
| 753 | D | C | -2.0656 | |
| 754 | H | C | -1.3405 | |
| 755 | H | C | 0.0000 | |
| 756 | P | C | 0.0000 | |
| 757 | I | C | 0.0000 | |
| 758 | W | C | 0.0000 | |
| 759 | Y | C | 0.0000 | |
| 760 | R | C | -0.6021 | |
| 761 | L | C | 0.0000 | |
| 762 | A | C | 0.0000 | |
| 763 | A | C | 0.0000 | |
| 764 | E | C | -1.4305 | |
| 765 | N | C | -1.7223 | |
| 766 | K | C | -2.3896 | |
| 767 | P | C | -1.4460 | |
| 768 | G | C | -1.2021 | |
| 769 | Q | C | -1.3563 | |
| 770 | F | C | 0.0000 | |
| 771 | Y | C | 0.0000 | |
| 772 | Y | C | 0.0000 | |
| 773 | Y | C | 0.0000 | |
| 774 | V | C | 0.0000 | |
| 775 | P | C | 0.0000 | |
| 776 | V | C | -1.0154 | |
| 777 | D | C | -1.9851 | |
| 778 | D | C | -2.3198 | |
| 779 | I | C | -1.2292 | |
| 780 | N | C | 0.0000 | |
| 781 | K | C | -3.0536 | |
| 782 | E | C | -3.1819 | |
| 783 | K | C | -2.3494 | |
| 784 | N | C | -1.7512 | |
| 785 | M | C | 0.0000 | |
| 786 | L | C | 0.0000 | |
| 787 | I | C | 0.0000 | |
| 788 | A | C | 0.0000 | |
| 789 | V | C | 0.0000 | |
| 790 | T | C | 0.0000 | |
| 791 | A | C | 0.0000 | |
| 792 | V | C | 0.0000 | |
| 793 | T | C | 0.0000 | |
| 794 | V | C | 0.0000 | |
| 795 | T | C | -0.5732 | |
| 796 | A | C | -1.1652 | |
| 797 | Q | C | -2.1427 | |
| 798 | N | C | -1.8417 | |
| 799 | R | C | -1.3944 | |
| 800 | I | C | 0.5490 | |
| 801 | A | C | 0.0000 | |
| 802 | L | C | 0.0000 | |
| 803 | A | C | 0.0000 | |
| 804 | G | C | 0.0000 | |
| 805 | A | C | 0.0000 | |
| 806 | I | C | 0.0000 | |
| 807 | G | C | 0.0000 | |
| 808 | L | C | 0.0000 | |
| 809 | Q | C | 0.0000 | |
| 810 | M | C | 0.0000 | |
| 811 | S | C | 0.0000 | |
| 812 | L | C | 0.0000 | |
| 813 | N | C | -1.0963 | |
| 814 | L | C | 0.0000 | |
| 815 | L | C | 0.0000 | |
| 816 | E | C | 0.0000 | |
| 817 | R | C | -1.9864 | |
| 818 | R | C | -1.2294 | |
| 819 | F | C | 0.0000 | |
| 820 | W | C | -1.2984 | |
| 821 | A | C | -1.1614 | |
| 822 | T | C | -1.1649 | |
| 823 | A | C | 0.0000 | |
| 824 | K | C | -2.3657 | |
| 825 | E | C | -1.9562 | |
| 826 | A | C | -2.1659 | |
| 827 | D | C | -3.1332 | |
| 828 | D | C | -3.1004 | |
| 829 | T | C | -2.2484 | |
| 830 | D | C | -2.6041 | |
| 831 | C | C | -1.6297 | |
| 832 | S | C | -1.3377 | |
| 833 | N | C | -1.8060 | |
| 834 | V | C | -1.3632 | |
| 835 | D | C | -1.9951 | |
| 836 | G | C | -1.2790 | |
| 837 | L | C | -0.3222 | |
| 838 | C | C | -0.8972 | |
| 839 | P | C | -1.2617 | |
| 840 | L | C | 0.0000 | |
| 841 | S | C | -1.5486 | |
| 842 | C | C | 0.0000 | |
| 843 | E | C | -2.0097 | |
| 844 | S | C | -0.6831 | |
| 845 | I | C | 0.5667 | |
| 846 | D | C | -1.1431 | |
| 847 | I | C | 0.0000 | |
| 848 | N | C | -0.9763 | |
| 849 | C | C | 0.0000 | |
| 850 | Y | C | 0.0000 | |
| 851 | L | C | 0.0000 | |
| 852 | V | C | 0.0000 | |
| 853 | D | C | 0.0000 | |
| 854 | N | C | -0.1969 | |
| 855 | N | C | 0.0000 | |
| 856 | G | C | 0.0000 | |
| 857 | F | C | 0.0000 | |
| 858 | I | C | 0.0000 | |
| 859 | V | C | 0.0000 | |
| 860 | I | C | 0.0000 | |
| 861 | S | C | 0.0000 | |
| 862 | K | C | -2.4415 | |
| 863 | E | C | -3.2217 | |
| 864 | R | C | -3.1978 | |
| 865 | S | C | -2.3207 | |
| 866 | D | C | -1.8966 | |
| 867 | V | C | 0.0000 | |
| 868 | G | C | -1.1285 | |
| 869 | K | C | -0.9464 | |
| 870 | F | C | 0.0000 | |
| 871 | F | C | 0.0000 | |
| 872 | G | C | 0.0000 | |
| 873 | E | C | -0.4071 | |
| 874 | V | C | 0.1341 | |
| 875 | D | C | -0.2265 | |
| 876 | G | C | 0.0000 | |
| 877 | S | C | 0.0000 | |
| 878 | V | C | 0.0000 | |
| 879 | M | C | 0.0000 | |
| 880 | A | C | 0.0000 | |
| 881 | Q | C | -0.7887 | |
| 882 | L | C | 0.0000 | |
| 883 | L | C | -1.3885 | |
| 884 | K | C | -1.9809 | |
| 885 | S | C | -1.2600 | |
| 886 | G | C | -1.4193 | |
| 887 | L | C | 0.0000 | |
| 888 | F | C | 0.0000 | |
| 889 | K | C | -2.3423 | |
| 890 | R | C | -2.4483 | |
| 891 | E | C | -1.3490 | |
| 892 | T | C | -0.8168 | |
| 893 | L | C | 0.0000 | |
| 894 | Y | C | -0.6489 | |
| 895 | D | C | -0.7217 | |
| 896 | Y | C | -0.2867 | |
| 897 | Q | C | 0.0000 | |
| 898 | A | C | -0.2484 | |
| 899 | M | C | -0.3892 | |
| 900 | C | C | -1.4170 | |
| 901 | K | C | -2.3854 | |
| 902 | N | C | -2.6068 | |
| 903 | S | C | -2.2332 | |
| 904 | H | C | -2.3482 | |
| 905 | H | C | -2.2434 | |
| 906 | H | C | -2.8211 | |
| 907 | A | C | -1.5704 | |
| 908 | S | C | -0.8170 | |
| 909 | A | C | -0.7473 | |
| 910 | A | C | 0.0000 | |
| 911 | R | C | -0.1105 | |
| 912 | P | C | 0.0000 | |
| 913 | L | C | 0.4792 | |
| 914 | L | C | 0.4172 | |
| 915 | S | C | 0.3337 | |
| 916 | P | C | 0.3365 | |
| 917 | F | C | 0.9739 | |
| 918 | Y | C | 0.9491 | |
| 919 | N | C | -0.1946 | |
| 920 | L | C | 0.3950 | |
| 921 | M | C | 0.9021 | |
| 922 | A | C | 0.4238 | |
| 923 | V | C | 0.8349 | |
| 924 | V | C | 1.0078 | |
| 925 | K | C | 0.3769 | |
| 926 | W | C | 1.7336 | |
| 927 | L | C | 2.0703 | |
| 928 | F | C | 2.7108 | |
| 929 | S | C | 1.8400 | |
| 930 | N | C | 1.0542 | |
| 931 | L | C | 2.1825 | |
| 932 | I | C | 2.5693 | |
| 933 | M | C | 2.1819 | |
| 934 | F | C | 1.9945 | |
| 935 | F | C | 1.5805 | |
| 936 | L | C | 1.2641 | |
| 937 | E | C | -0.5681 | |
| 938 | F | C | 0.2517 | |
| 939 | N | C | -1.2723 | |
| 940 | I | C | -0.0696 | |
| 941 | S | C | -0.4921 | |
| 942 | G | C | -0.6953 | |
| 943 | L | C | -0.0724 | |
| 944 | W | C | 0.4185 | |
| 945 | H | C | -0.7175 | |
| 946 | N | C | -0.2180 | |
| 947 | G | C | 0.7784 | |
| 948 | F | C | 2.4798 | |
| 949 | L | C | 2.6290 | |
| 950 | V | C | 1.9973 | |
| 951 | D | C | -0.6650 | |
| 952 | A | C | -0.9796 | |
| 953 | K | C | -2.0000 | |
| 954 | S | C | -1.3708 | |
| 955 | G | C | -0.6941 | |
| 956 | Y | C | 0.3046 | |
| 957 | H | C | -0.7146 | |
| 958 | T | C | -0.8275 | |
| 959 | T | C | -1.4199 | |
| 960 | H | C | -2.6382 | |
| 961 | K | C | -3.6642 | |
| 962 | Q | C | -3.3964 | |
| 963 | K | C | -3.5205 | |
| 964 | K | C | -2.9167 | |
| 965 | V | C | -0.9961 | |
| 966 | E | C | -2.4734 | |
| 967 | S | C | -1.4027 | |
| 968 | M | C | -0.9183 | |
| 969 | V | C | -0.3035 | |
| 970 | P | C | 0.0328 | |
| 971 | C | C | -0.9808 | |
| 972 | N | C | -1.6798 | |
| 973 | T | C | 0.0000 | |
| 974 | E | C | -1.9281 | |
| 975 | Y | C | -1.2068 | |
| 976 | P | C | -1.0676 | |
| 977 | G | C | 0.0000 | |
| 978 | F | C | 0.0000 | |
| 979 | I | C | -0.5605 | |
| 980 | Y | C | 0.0000 | |
| 981 | D | C | -0.9468 | |
| 982 | T | C | -0.7499 | |
| 983 | S | C | -0.7458 | |
| 984 | I | C | -0.9606 | |
| 985 | R | C | -2.3973 | |
| 986 | E | C | -2.6107 | |
| 987 | T | C | -1.6610 | |
| 988 | N | C | -1.4879 | |
| 989 | S | C | -0.6031 | |
| 990 | I | C | -0.5337 | |
| 991 | I | C | 0.0000 | |
| 992 | K | C | -2.4721 | |
| 993 | C | C | 0.0000 | |
| 994 | G | C | -2.6074 | |
| 995 | R | C | -2.6838 | |
| 996 | C | C | -2.5725 | |
| 997 | Q | C | -2.5151 | |
| 998 | K | C | 0.0000 | |
| 999 | M | C | 0.0000 | |
| 1000 | F | C | 0.0000 | |
| 1001 | V | C | 0.0000 | |
| 1002 | L | C | 0.0000 | |
| 1003 | Q | C | 0.0000 | |
| 1004 | Q | C | 0.0000 | |
| 1005 | V | C | 0.0000 | |
| 1006 | L | C | -0.7388 | |
| 1007 | N | C | -1.3096 | |
| 1008 | S | C | -0.6298 | |
| 1009 | N | C | 0.0000 | |
| 1010 | L | C | 0.0000 | |
| 1011 | V | C | 0.0000 | |
| 1012 | M | C | 0.0000 | |
| 1013 | L | C | 0.0000 | |
| 1014 | V | C | 0.0000 | |
| 1015 | V | C | 0.0000 | |
| 1016 | Q | C | 0.0000 | |
| 1017 | A | C | -1.2627 | |
| 1018 | D | C | -2.3644 | |
| 1019 | C | C | 0.0000 | |
| 1020 | D | C | -3.1023 | |
| 1021 | C | C | 0.0000 | |
| 1022 | S | C | -1.9506 | |
| 1023 | R | C | -2.8876 | |
| 1024 | Q | C | -2.6184 | |
| 1025 | Y | C | -1.2659 | |
| 1026 | S | C | -0.8665 | |
| 1027 | P | C | -0.5152 | |
| 1028 | I | C | 0.1500 | |
| 1029 | T | C | -0.0786 | |
| 1030 | L | C | -0.5237 | |
| 1031 | T | C | -0.7375 | |
| 1032 | P | C | -1.8529 | |
| 1033 | R | C | -3.4568 | |
| 1034 | E | C | -3.6544 | |
| 1035 | E | C | -3.6355 | |
| 1036 | N | C | -3.6017 | |
| 1037 | A | C | -2.8217 | |
| 1038 | K | C | -3.3189 | |
| 1039 | D | C | -3.1598 | |
| 1040 | C | C | -1.4881 | |
| 1041 | G | C | -1.6029 | |
| 1042 | G | C | -0.6438 | |
| 1043 | A | C | 0.0000 | |
| 1044 | C | C | -0.2055 | |
| 1045 | G | C | 0.6236 | |
| 1046 | I | C | 1.9961 | |
| 1047 | S | C | 0.9744 | |
| 1048 | V | C | 1.6086 | |
| 1049 | S | C | 1.0037 | |
| 1050 | V | C | 1.1962 | |
| 1051 | A | C | 0.6972 | |
| 1052 | L | C | 0.8535 | |
| 1053 | F | C | 1.1742 | |
| 1054 | F | C | 0.0000 | |
| 1055 | T | C | 0.4233 | |
| 1056 | S | C | 0.6377 | |
| 1057 | L | C | 0.6152 | |
| 1058 | V | C | 0.0000 | |
| 1059 | T | C | 0.4104 | |
| 1060 | S | C | 0.3247 | |
| 1061 | L | C | -0.0647 | |
| 1062 | T | C | 0.0000 | |
| 1063 | L | C | 0.5783 | |
| 1064 | R | C | -1.4344 |
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 | -0.2898 | 7.5646 | View | CSV | PDB |
| 4.5 | -0.3508 | 7.5646 | View | CSV | PDB |
| 5.0 | -0.4247 | 7.5646 | View | CSV | PDB |
| 5.5 | -0.498 | 7.5646 | View | CSV | PDB |
| 6.0 | -0.5565 | 7.5646 | View | CSV | PDB |
| 6.5 | -0.5902 | 7.5646 | View | CSV | PDB |
| 7.0 | -0.5989 | 7.5646 | View | CSV | PDB |
| 7.5 | -0.5908 | 7.5645 | View | CSV | PDB |
| 8.0 | -0.5727 | 7.5643 | View | CSV | PDB |
| 8.5 | -0.5469 | 7.5635 | View | CSV | PDB |
| 9.0 | -0.5125 | 7.5613 | 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