| Chain sequence(s) |
A: LTCNTCSVSLIGICLNPATATCSTNTSVCTTGRASFTGVLGFLGFNSQGCTEGAQCNGTVSGSILGASYTVTQTCCSTNNCNPVTS
C: MGKRTQPSWVTVFLFYSGCLFLLTNAQMKIPPETVQKWANSLSEQLNSVAVKYSGSALLQKKLNDVEPVIQIEKLDGAKLAQEFSDEIEKMLGSKMKSVKRLADTVEDADLYHEFNASLEFDYFNSLLINTMDEEGNYIELGGEFPLEDNEHFNNLPVNTLMSDIQVPTNVYNKDPDILNGVYMSEALNDVFISNFQKDPTLTWQFFGSSTGFFRLYPGIKWTADPNGVVAFDCRNRNWYIQAATSPKDIIIVVDISGSMKGLKLTIAKHTINTILDTLGENDFVNIIAYTDYVQYVEPCFKGTLVQADLDNREHFKLLVEDLQVKREGKVKKAMNESFWVLNQATEKGQGSLCNQAIMLITDGAMEDFQSVFEEFNWPERKVRVFTYLIGRDMTFAENVKWIACNNKGYYTHINTLADVQENVMEYLHVLSRPMVIDHDHDIIWTEAYMDSVLFNSMAQSLLLMTTVAMPVFSKKKETMSHGILLGVVGTDIPLVEVMMLAPRYKLGAHGYAFLITNNGYILAHPNLRPLYKDGKKLKPKPNYNSVDLTEAEWEDSNDTLRTAMVKGETGTLELDVRTAVDKGKRSLLLKNKYFYTTIDETPFSFGMVLTQGHGQYVFHGNVSIEEGLHDLQQPDLTIANEWTYCETDIDPQHRKLTQLQAVVRYLTGKEPELECDEVLLQQVLFDAVVTAPLEAYWTALMMSDAGVEDHIETAFLGTRSGLMRITRYIGKEERKGKNFLTPVDKENLFTMDHHPIWYRLAAENKPGQFYYYVPVDDINKEKNMLIAVTAVTVTAQNRIALAGAIGLQMSLNLLERRFWATAKEADDTDCSNVDGLCPLSCESIDINCYLVDNNGFIVISKERSDVGKFFGEVDGSVMAQLLKSGLFKRETLYDYQAMCKNSHHHASAARPLLSPFYNLMAVVKWLFSNLIMFFLEFNISGLWHNGFLVDAKSGYHTTHKQKKVESMVPCNTEYPGFIYDTSIRETNSIIKCGRCQKMFVLQQVLNSNLVMLVVQADCDCSRQYSPITLTPREENAKDCG 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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:14:17)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e626dc35e44c962/tmp/folded.pdb (00:14:17)
[INFO] Main: Simulation completed successfully. (00:19:30)
|
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 | -0.2467 | |
| 2 | T | A | -0.4533 | |
| 3 | C | A | 0.0000 | |
| 4 | N | A | -0.5664 | |
| 5 | T | A | -0.2640 | |
| 6 | C | A | 0.0000 | |
| 7 | S | A | 0.2346 | |
| 8 | V | A | 1.7615 | |
| 9 | S | A | 0.0000 | |
| 10 | L | A | 2.9246 | |
| 11 | I | A | 2.6287 | |
| 12 | G | A | 1.9980 | |
| 13 | I | A | 2.5428 | |
| 14 | C | A | 0.0000 | |
| 15 | L | A | 1.9018 | |
| 16 | N | A | 0.1887 | |
| 17 | P | A | -0.0090 | |
| 18 | A | A | -0.1720 | |
| 19 | T | A | -0.2322 | |
| 20 | A | A | -0.0728 | |
| 21 | T | A | -0.1836 | |
| 22 | C | A | 0.0000 | |
| 23 | S | A | -0.6236 | |
| 24 | T | A | -0.9681 | |
| 25 | N | A | -1.4551 | |
| 26 | T | A | -1.1354 | |
| 27 | S | A | 0.0000 | |
| 28 | V | A | -0.4004 | |
| 29 | C | A | 0.0000 | |
| 30 | T | A | -0.4797 | |
| 31 | T | A | 0.0000 | |
| 32 | G | A | 0.0000 | |
| 33 | R | A | -1.4084 | |
| 34 | A | A | 0.0000 | |
| 35 | S | A | -0.0233 | |
| 36 | F | A | 0.7160 | |
| 37 | T | A | 0.4247 | |
| 38 | G | A | 0.2487 | |
| 39 | V | A | 1.6003 | |
| 40 | L | A | 1.9968 | |
| 41 | G | A | 1.1734 | |
| 42 | F | A | 1.9172 | |
| 43 | L | A | 2.4430 | |
| 44 | G | A | 0.0000 | |
| 45 | F | A | 0.0000 | |
| 46 | N | A | 0.1878 | |
| 47 | S | A | -0.4470 | |
| 48 | Q | A | 0.0000 | |
| 49 | G | A | -0.0264 | |
| 50 | C | A | -0.0942 | |
| 51 | T | A | -0.9258 | |
| 52 | E | A | -2.1710 | |
| 53 | G | A | -1.2118 | |
| 54 | A | A | -1.1318 | |
| 55 | Q | A | -1.6187 | |
| 56 | C | A | -1.3732 | |
| 57 | N | A | -1.5768 | |
| 58 | G | A | -1.0848 | |
| 59 | T | A | -0.4920 | |
| 60 | V | A | 0.2680 | |
| 61 | S | A | 0.1102 | |
| 62 | G | A | -0.0577 | |
| 63 | S | A | -0.1536 | |
| 64 | I | A | 0.5232 | |
| 65 | L | A | 1.0090 | |
| 66 | G | A | -0.0344 | |
| 67 | A | A | 0.1135 | |
| 68 | S | A | -0.1698 | |
| 69 | Y | A | 0.0000 | |
| 70 | T | A | -0.2984 | |
| 71 | V | A | 0.0000 | |
| 72 | T | A | -0.8917 | |
| 73 | Q | A | -1.2009 | |
| 74 | T | A | -0.7781 | |
| 75 | C | A | -0.3154 | |
| 76 | C | A | -0.1497 | |
| 77 | S | A | -0.2731 | |
| 78 | T | A | -0.6903 | |
| 79 | N | A | -1.4515 | |
| 80 | N | A | -1.2606 | |
| 81 | C | A | -0.5781 | |
| 82 | N | A | 0.0000 | |
| 83 | P | A | -0.3061 | |
| 84 | V | A | 0.0608 | |
| 85 | T | A | 0.4336 | |
| 86 | S | A | 0.4065 | |
| 1 | L | B | -0.2686 | |
| 2 | T | B | -0.4811 | |
| 3 | C | B | 0.0000 | |
| 4 | N | B | -0.5946 | |
| 5 | T | B | -0.3133 | |
| 6 | C | B | 0.0000 | |
| 7 | S | B | 0.4275 | |
| 8 | V | B | 1.1791 | |
| 9 | S | B | 0.0000 | |
| 10 | L | B | 2.7516 | |
| 11 | I | B | 3.4222 | |
| 12 | G | B | 2.2408 | |
| 13 | I | B | 2.3172 | |
| 14 | C | B | 0.0000 | |
| 15 | L | B | 1.5451 | |
| 16 | N | B | 0.0196 | |
| 17 | P | B | -0.1029 | |
| 18 | A | B | -0.1791 | |
| 19 | T | B | -0.2452 | |
| 20 | A | B | -0.1042 | |
| 21 | T | B | -0.2149 | |
| 22 | C | B | 0.0000 | |
| 23 | S | B | -0.3398 | |
| 24 | T | B | -0.7304 | |
| 25 | N | B | -1.2733 | |
| 26 | T | B | -0.7463 | |
| 27 | S | B | 0.0000 | |
| 28 | V | B | -0.0777 | |
| 29 | C | B | 0.0000 | |
| 30 | T | B | -0.3992 | |
| 31 | T | B | 0.0000 | |
| 32 | G | B | 0.0000 | |
| 33 | R | B | -1.6278 | |
| 34 | A | B | 0.0000 | |
| 35 | S | B | -0.0981 | |
| 36 | F | B | 0.0000 | |
| 37 | T | B | 0.3430 | |
| 38 | G | B | 0.2093 | |
| 39 | V | B | 1.6319 | |
| 40 | L | B | 2.0007 | |
| 41 | G | B | 1.3452 | |
| 42 | F | B | 2.2295 | |
| 43 | L | B | 2.7685 | |
| 44 | G | B | 0.0000 | |
| 45 | F | B | 1.1813 | |
| 46 | N | B | 0.0000 | |
| 47 | S | B | -0.3326 | |
| 48 | Q | B | 0.0000 | |
| 49 | G | B | 0.2247 | |
| 50 | C | B | 0.4336 | |
| 51 | T | B | -0.3189 | |
| 52 | E | B | -0.9043 | |
| 53 | G | B | -0.7151 | |
| 54 | A | B | -0.7392 | |
| 55 | Q | B | -1.2838 | |
| 56 | C | B | -0.9297 | |
| 57 | N | B | -1.5988 | |
| 58 | G | B | -0.9207 | |
| 59 | T | B | -0.6188 | |
| 60 | V | B | 0.1649 | |
| 61 | S | B | -0.2163 | |
| 62 | G | B | -0.5302 | |
| 63 | S | B | -0.3539 | |
| 64 | I | B | 0.0000 | |
| 65 | L | B | 1.4222 | |
| 66 | G | B | 0.1033 | |
| 67 | A | B | 0.1501 | |
| 68 | S | B | -0.2310 | |
| 69 | Y | B | 0.0000 | |
| 70 | T | B | -0.4999 | |
| 71 | V | B | 0.0000 | |
| 72 | T | B | -1.0520 | |
| 73 | Q | B | -1.2230 | |
| 74 | T | B | -0.8253 | |
| 75 | C | B | -0.3332 | |
| 76 | C | B | -0.1720 | |
| 77 | S | B | -0.2921 | |
| 78 | T | B | -0.6900 | |
| 79 | N | B | -1.4494 | |
| 80 | N | B | -1.2567 | |
| 81 | C | B | -0.5829 | |
| 82 | N | B | 0.0000 | |
| 83 | P | B | -0.3076 | |
| 84 | V | B | 0.0178 | |
| 85 | T | B | 0.3283 | |
| 86 | S | B | 0.2432 | |
| 1 | M | C | 0.1795 | |
| 2 | G | C | -1.2761 | |
| 3 | K | C | -2.7295 | |
| 4 | R | C | -3.0451 | |
| 5 | T | C | -2.1916 | |
| 6 | Q | C | -1.9696 | |
| 7 | P | C | -0.6211 | |
| 8 | S | C | 0.4239 | |
| 9 | W | C | 1.9396 | |
| 10 | V | C | 3.0337 | |
| 11 | T | C | 2.7777 | |
| 12 | V | C | 4.0984 | |
| 13 | F | C | 4.4788 | |
| 14 | L | C | 4.1632 | |
| 15 | F | C | 3.9503 | |
| 16 | Y | C | 2.8326 | |
| 17 | S | C | 1.5307 | |
| 18 | G | C | 1.3542 | |
| 19 | C | C | 2.3313 | |
| 20 | L | C | 3.4848 | |
| 21 | F | C | 4.2084 | |
| 22 | L | C | 3.7072 | |
| 23 | L | C | 2.7816 | |
| 24 | T | C | 0.9279 | |
| 25 | N | C | -0.5029 | |
| 26 | A | C | -0.6042 | |
| 27 | Q | C | -0.8814 | |
| 28 | M | C | -1.0981 | |
| 29 | K | C | -1.3116 | |
| 30 | I | C | 0.0000 | |
| 31 | P | C | 0.0000 | |
| 32 | P | C | -2.1202 | |
| 33 | E | C | -2.3895 | |
| 34 | T | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | Q | C | -2.4406 | |
| 37 | K | C | -2.6386 | |
| 38 | W | C | 0.0000 | |
| 39 | A | C | 0.0000 | |
| 40 | N | C | -1.9002 | |
| 41 | S | C | -1.5626 | |
| 42 | L | C | 0.0000 | |
| 43 | S | C | 0.0000 | |
| 44 | E | C | -2.3615 | |
| 45 | Q | C | -1.4459 | |
| 46 | L | C | 0.0000 | |
| 47 | N | C | -1.1512 | |
| 48 | S | C | -0.9733 | |
| 49 | V | C | 0.0000 | |
| 50 | A | C | 0.0000 | |
| 51 | V | C | -0.0013 | |
| 52 | K | C | -0.7576 | |
| 53 | Y | C | 0.0000 | |
| 54 | S | C | 0.0000 | |
| 55 | G | C | 0.0000 | |
| 56 | S | C | 0.0000 | |
| 57 | A | C | -0.5921 | |
| 58 | L | C | -0.6340 | |
| 59 | L | C | 0.0000 | |
| 60 | Q | C | -1.8445 | |
| 61 | K | C | -2.7962 | |
| 62 | K | C | -2.3014 | |
| 63 | L | C | 0.0000 | |
| 64 | N | C | -2.6368 | |
| 65 | D | C | -2.6811 | |
| 66 | V | C | -1.0150 | |
| 67 | E | C | -0.9281 | |
| 68 | P | C | -0.2192 | |
| 69 | V | C | 0.9930 | |
| 70 | I | C | 0.0000 | |
| 71 | Q | C | -1.3275 | |
| 72 | I | C | 0.0000 | |
| 73 | E | C | -2.3763 | |
| 74 | K | C | -2.3294 | |
| 75 | L | C | -1.5624 | |
| 76 | D | C | -1.8924 | |
| 77 | G | C | 0.0000 | |
| 78 | A | C | -1.5285 | |
| 79 | K | C | -2.6963 | |
| 80 | L | C | 0.0000 | |
| 81 | A | C | 0.0000 | |
| 82 | Q | C | -2.7689 | |
| 83 | E | C | -3.3967 | |
| 84 | F | C | 0.0000 | |
| 85 | S | C | 0.0000 | |
| 86 | D | C | -3.5481 | |
| 87 | E | C | -3.0506 | |
| 88 | I | C | 0.0000 | |
| 89 | E | C | -3.3271 | |
| 90 | K | C | -2.9750 | |
| 91 | M | C | -1.4706 | |
| 92 | L | C | 0.0000 | |
| 93 | G | C | 0.0000 | |
| 94 | S | C | -1.5132 | |
| 95 | K | C | 0.0000 | |
| 96 | M | C | 0.0000 | |
| 97 | K | C | -2.2250 | |
| 98 | S | C | 0.0000 | |
| 99 | V | C | 0.0000 | |
| 100 | K | C | -2.3549 | |
| 101 | R | C | -2.1195 | |
| 102 | L | C | 0.0000 | |
| 103 | A | C | 0.0000 | |
| 104 | D | C | -2.5644 | |
| 105 | T | C | -1.6234 | |
| 106 | V | C | 0.0000 | |
| 107 | E | C | 0.0000 | |
| 108 | D | C | -1.2355 | |
| 109 | A | C | -0.5244 | |
| 110 | D | C | 0.0000 | |
| 111 | L | C | -0.0205 | |
| 112 | Y | C | 0.8974 | |
| 113 | H | C | 0.0849 | |
| 114 | E | C | -0.7053 | |
| 115 | F | C | 0.5938 | |
| 116 | N | C | -0.6093 | |
| 117 | A | C | -0.6478 | |
| 118 | S | C | -0.5745 | |
| 119 | L | C | -0.8494 | |
| 120 | E | C | -2.1554 | |
| 121 | F | C | -1.5507 | |
| 122 | D | C | -2.2586 | |
| 123 | Y | C | 0.0000 | |
| 124 | F | C | -0.3416 | |
| 125 | N | C | 0.0000 | |
| 126 | S | C | 0.0000 | |
| 127 | L | C | 0.2301 | |
| 128 | L | C | 0.0808 | |
| 129 | I | C | 0.0000 | |
| 130 | N | C | -0.9129 | |
| 131 | T | C | -0.5577 | |
| 132 | M | C | -1.3201 | |
| 133 | D | C | -2.6846 | |
| 134 | E | C | -3.3182 | |
| 135 | E | C | -3.4089 | |
| 136 | G | C | -2.4786 | |
| 137 | N | C | -2.6336 | |
| 138 | Y | C | -1.4908 | |
| 139 | I | C | -1.5853 | |
| 140 | E | C | -1.9907 | |
| 141 | L | C | 0.0000 | |
| 142 | G | C | 0.0000 | |
| 143 | G | C | -1.4594 | |
| 144 | E | C | -1.8434 | |
| 145 | F | C | 0.0000 | |
| 146 | P | C | -0.9123 | |
| 147 | L | C | -1.2651 | |
| 148 | E | C | -2.8593 | |
| 149 | D | C | -3.4560 | |
| 150 | N | C | -2.7763 | |
| 151 | E | C | -3.3360 | |
| 152 | H | C | 0.0000 | |
| 153 | F | C | 0.0000 | |
| 154 | N | C | -2.4496 | |
| 155 | N | C | -3.1677 | |
| 156 | L | C | -2.0631 | |
| 157 | P | C | -2.1835 | |
| 158 | V | C | 0.0000 | |
| 159 | N | C | 0.0000 | |
| 160 | T | C | 0.6959 | |
| 161 | L | C | 1.5438 | |
| 162 | M | C | 0.6793 | |
| 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 | -0.1825 | |
| 170 | N | C | -0.9942 | |
| 171 | V | C | -0.0468 | |
| 172 | Y | C | 0.3434 | |
| 173 | N | C | -0.5401 | |
| 174 | K | C | -1.3911 | |
| 175 | D | C | -1.4347 | |
| 176 | P | C | -1.3999 | |
| 177 | D | C | -1.5761 | |
| 178 | I | C | 0.0000 | |
| 179 | L | C | 0.0000 | |
| 180 | N | C | 0.0000 | |
| 181 | G | C | -0.2116 | |
| 182 | V | C | 0.0000 | |
| 183 | Y | C | 0.0437 | |
| 184 | M | C | 0.0000 | |
| 185 | S | C | 0.0000 | |
| 186 | E | C | -0.9543 | |
| 187 | A | C | -0.8710 | |
| 188 | L | C | 0.0000 | |
| 189 | N | C | -0.7092 | |
| 190 | D | C | -1.3808 | |
| 191 | V | C | -0.7443 | |
| 192 | F | C | 0.0000 | |
| 193 | I | C | 0.1086 | |
| 194 | S | C | -0.9733 | |
| 195 | N | C | 0.0000 | |
| 196 | F | C | -0.6770 | |
| 197 | Q | C | -1.7096 | |
| 198 | K | C | -2.2216 | |
| 199 | D | C | -1.2105 | |
| 200 | P | C | -0.8655 | |
| 201 | T | C | -0.5076 | |
| 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 | -0.1373 | |
| 211 | T | C | -0.4424 | |
| 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 | -0.7254 | |
| 222 | W | C | 0.0000 | |
| 223 | T | C | -0.5292 | |
| 224 | A | C | -0.7318 | |
| 225 | D | C | -1.3972 | |
| 226 | P | C | -1.2492 | |
| 227 | N | C | -1.5617 | |
| 228 | G | C | -0.8871 | |
| 229 | V | C | 0.0211 | |
| 230 | V | C | 0.0000 | |
| 231 | A | C | 0.1362 | |
| 232 | F | C | 0.0000 | |
| 233 | D | C | -0.4179 | |
| 234 | C | C | 0.0000 | |
| 235 | R | C | -0.6320 | |
| 236 | N | C | -1.2554 | |
| 237 | R | C | -0.8684 | |
| 238 | N | C | -0.9692 | |
| 239 | W | C | 0.0000 | |
| 240 | Y | C | 0.0000 | |
| 241 | I | C | 0.0000 | |
| 242 | Q | C | -0.3883 | |
| 243 | A | C | 0.0000 | |
| 244 | A | C | 0.0000 | |
| 245 | T | C | 0.0000 | |
| 246 | S | C | -0.4146 | |
| 247 | P | C | 0.0383 | |
| 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 | -2.3789 | |
| 259 | S | C | -1.6807 | |
| 260 | M | C | 0.0000 | |
| 261 | K | C | -2.1738 | |
| 262 | G | C | -1.0655 | |
| 263 | L | C | 0.3014 | |
| 264 | K | C | -0.8414 | |
| 265 | L | C | 0.0000 | |
| 266 | T | C | -0.5662 | |
| 267 | I | C | 0.0000 | |
| 268 | A | C | 0.0000 | |
| 269 | K | C | -1.3111 | |
| 270 | H | C | -1.3976 | |
| 271 | T | C | 0.0000 | |
| 272 | I | C | 0.0000 | |
| 273 | N | C | -1.5129 | |
| 274 | T | C | -1.5859 | |
| 275 | I | C | 0.0000 | |
| 276 | L | C | 0.0000 | |
| 277 | D | C | -2.1506 | |
| 278 | T | C | 0.0000 | |
| 279 | L | C | 0.0000 | |
| 280 | G | C | -0.6199 | |
| 281 | E | C | 0.0000 | |
| 282 | N | C | -0.7531 | |
| 283 | D | C | 0.0000 | |
| 284 | F | C | 0.1455 | |
| 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 | -2.0970 | |
| 293 | Y | C | -0.5714 | |
| 294 | V | C | -0.2998 | |
| 295 | Q | C | -0.4260 | |
| 296 | Y | C | 0.0000 | |
| 297 | V | C | 0.0000 | |
| 298 | E | C | -0.4229 | |
| 299 | P | C | -0.8691 | |
| 300 | C | C | -0.4933 | |
| 301 | F | C | -0.4033 | |
| 302 | K | C | -1.6814 | |
| 303 | G | C | -0.8350 | |
| 304 | T | C | -0.5343 | |
| 305 | L | C | 0.0000 | |
| 306 | V | C | -0.1498 | |
| 307 | Q | C | -0.2815 | |
| 308 | A | C | 0.0000 | |
| 309 | D | C | 0.0000 | |
| 310 | L | C | -0.8144 | |
| 311 | D | C | -1.2499 | |
| 312 | N | C | -0.8560 | |
| 313 | R | C | -1.2395 | |
| 314 | E | C | -1.2123 | |
| 315 | H | C | -0.5900 | |
| 316 | F | C | 0.0000 | |
| 317 | K | C | -1.3762 | |
| 318 | L | C | 0.0867 | |
| 319 | L | C | -0.4393 | |
| 320 | V | C | 0.0000 | |
| 321 | E | C | -2.5825 | |
| 322 | D | C | -2.6043 | |
| 323 | L | C | 0.0000 | |
| 324 | Q | C | -2.3951 | |
| 325 | V | C | 0.0000 | |
| 326 | K | C | -2.6136 | |
| 327 | R | C | -3.3238 | |
| 328 | E | C | -3.3106 | |
| 329 | G | C | -2.2404 | |
| 330 | K | C | -2.2264 | |
| 331 | V | C | 0.0000 | |
| 332 | K | C | -2.3667 | |
| 333 | K | C | -2.2502 | |
| 334 | A | C | 0.0000 | |
| 335 | M | C | 0.0000 | |
| 336 | N | C | -1.2278 | |
| 337 | E | C | -0.8916 | |
| 338 | S | C | 0.0000 | |
| 339 | F | C | 0.0000 | |
| 340 | W | C | 0.2225 | |
| 341 | V | C | 0.0000 | |
| 342 | L | C | 0.0000 | |
| 343 | N | C | -1.4818 | |
| 344 | Q | C | -1.8783 | |
| 345 | A | C | 0.0000 | |
| 346 | T | C | -1.8263 | |
| 347 | E | C | -3.1641 | |
| 348 | K | C | -3.3877 | |
| 349 | G | C | -2.2024 | |
| 350 | Q | C | -2.0666 | |
| 351 | G | C | -0.4953 | |
| 352 | S | C | 0.3425 | |
| 353 | L | C | 1.1368 | |
| 354 | C | C | 0.8583 | |
| 355 | N | C | 0.0720 | |
| 356 | Q | C | 0.0000 | |
| 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 | -0.7522 | |
| 364 | G | C | 0.0000 | |
| 365 | A | C | 0.0000 | |
| 366 | M | C | 0.2664 | |
| 367 | E | C | -1.3515 | |
| 368 | D | C | -2.3345 | |
| 369 | F | C | 0.0000 | |
| 370 | Q | C | -2.2019 | |
| 371 | S | C | -2.0220 | |
| 372 | V | C | 0.0000 | |
| 373 | F | C | 0.0000 | |
| 374 | E | C | -2.7605 | |
| 375 | E | C | -2.5440 | |
| 376 | F | C | -1.2010 | |
| 377 | N | C | 0.0000 | |
| 378 | W | C | -1.8919 | |
| 379 | P | C | -1.8030 | |
| 380 | E | C | -2.3931 | |
| 381 | R | C | -2.5263 | |
| 382 | K | C | -2.3125 | |
| 383 | V | C | 0.0000 | |
| 384 | R | C | -1.1918 | |
| 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 | -2.7320 | |
| 393 | D | C | -2.3167 | |
| 394 | M | C | -0.8716 | |
| 395 | T | C | -0.4879 | |
| 396 | F | C | -0.1472 | |
| 397 | A | C | 0.0000 | |
| 398 | E | C | -1.9638 | |
| 399 | N | C | -1.2925 | |
| 400 | V | C | 0.0000 | |
| 401 | K | C | -1.1810 | |
| 402 | W | C | -0.6460 | |
| 403 | I | C | 0.0000 | |
| 404 | A | C | 0.0000 | |
| 405 | C | C | 0.0160 | |
| 406 | N | C | -0.5906 | |
| 407 | N | C | 0.0000 | |
| 408 | K | C | -1.8269 | |
| 409 | G | C | -0.5960 | |
| 410 | Y | C | 0.1407 | |
| 411 | Y | C | 0.0384 | |
| 412 | T | C | 0.0000 | |
| 413 | H | C | -0.7302 | |
| 414 | I | C | 0.0000 | |
| 415 | N | C | -1.1671 | |
| 416 | T | C | -0.3486 | |
| 417 | L | C | -0.0325 | |
| 418 | A | C | -0.8169 | |
| 419 | D | C | -1.7628 | |
| 420 | V | C | 0.0000 | |
| 421 | Q | C | -2.4570 | |
| 422 | E | C | -2.9991 | |
| 423 | N | C | -1.8485 | |
| 424 | V | C | 0.0000 | |
| 425 | M | C | -1.3088 | |
| 426 | E | C | -1.1804 | |
| 427 | Y | C | 0.0000 | |
| 428 | L | C | 0.0000 | |
| 429 | H | C | -0.9149 | |
| 430 | V | C | -0.7267 | |
| 431 | L | C | 0.0000 | |
| 432 | S | C | 0.0000 | |
| 433 | R | C | -1.2200 | |
| 434 | P | C | -1.1137 | |
| 435 | M | C | -1.5173 | |
| 436 | V | C | 0.0000 | |
| 437 | I | C | -0.5383 | |
| 438 | D | C | -2.2216 | |
| 439 | H | C | -1.9129 | |
| 440 | D | C | -2.9224 | |
| 441 | H | C | -2.3681 | |
| 442 | D | C | -2.3317 | |
| 443 | I | C | -1.1565 | |
| 444 | I | C | -0.2045 | |
| 445 | W | C | 0.0000 | |
| 446 | T | C | 0.0000 | |
| 447 | E | C | 0.0000 | |
| 448 | A | C | 0.0000 | |
| 449 | Y | C | 0.2014 | |
| 450 | M | C | 0.0000 | |
| 451 | D | C | 0.0000 | |
| 452 | S | C | 0.1135 | |
| 453 | V | C | 0.4696 | |
| 454 | L | C | 0.0000 | |
| 455 | F | C | 0.0000 | |
| 456 | N | C | -1.0010 | |
| 457 | S | C | -0.3755 | |
| 458 | M | C | 0.7191 | |
| 459 | A | C | 0.0417 | |
| 460 | Q | C | 0.0000 | |
| 461 | S | C | 0.2622 | |
| 462 | L | C | 0.4869 | |
| 463 | L | C | 0.6791 | |
| 464 | L | C | 0.5657 | |
| 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 | -1.2744 | |
| 476 | K | C | -1.6352 | |
| 477 | K | C | -2.8504 | |
| 478 | E | C | -2.9153 | |
| 479 | T | C | -1.4791 | |
| 480 | M | C | -1.1776 | |
| 481 | S | C | -1.1212 | |
| 482 | H | C | -1.2449 | |
| 483 | G | C | -0.3799 | |
| 484 | I | C | 0.7898 | |
| 485 | L | C | 0.4298 | |
| 486 | L | C | 0.4110 | |
| 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 | 0.7557 | |
| 497 | E | C | 0.3295 | |
| 498 | V | C | 0.0000 | |
| 499 | M | C | 0.4382 | |
| 500 | M | C | 0.4271 | |
| 501 | L | C | -0.0240 | |
| 502 | A | C | 0.0000 | |
| 503 | P | C | -0.1783 | |
| 504 | R | C | -0.5208 | |
| 505 | Y | C | 0.0000 | |
| 506 | K | C | -0.3288 | |
| 507 | L | C | 0.0000 | |
| 508 | G | C | -0.3372 | |
| 509 | A | C | 0.0000 | |
| 510 | H | C | -0.4803 | |
| 511 | G | C | 0.0000 | |
| 512 | Y | C | -0.3922 | |
| 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 | -1.8598 | |
| 519 | N | C | -1.2355 | |
| 520 | G | C | 0.0000 | |
| 521 | Y | C | 0.0000 | |
| 522 | I | C | 0.0000 | |
| 523 | L | C | 0.0000 | |
| 524 | A | C | 0.0000 | |
| 525 | H | C | 0.0000 | |
| 526 | P | C | -1.2188 | |
| 527 | N | C | -1.5584 | |
| 528 | L | C | -1.0502 | |
| 529 | R | C | -1.1977 | |
| 530 | P | C | -0.4308 | |
| 531 | L | C | -0.5830 | |
| 532 | Y | C | -1.1496 | |
| 533 | K | C | -2.7789 | |
| 534 | D | C | -2.4170 | |
| 535 | G | C | -2.2787 | |
| 536 | K | C | -3.2626 | |
| 537 | K | C | -3.1969 | |
| 538 | L | C | -1.6392 | |
| 539 | K | C | -1.4806 | |
| 540 | P | C | -0.6497 | |
| 541 | K | C | 0.0000 | |
| 542 | P | C | -0.2945 | |
| 543 | N | C | 0.0000 | |
| 544 | Y | C | -0.0746 | |
| 545 | N | C | 0.0000 | |
| 546 | S | C | 0.0000 | |
| 547 | V | C | 0.0000 | |
| 548 | D | C | -0.3844 | |
| 549 | L | C | 0.0000 | |
| 550 | T | C | -0.2855 | |
| 551 | E | C | -0.4199 | |
| 552 | A | C | -0.4013 | |
| 553 | E | C | -0.4393 | |
| 554 | W | C | -0.2353 | |
| 555 | E | C | 0.0000 | |
| 556 | D | C | -2.3408 | |
| 557 | S | C | -1.7742 | |
| 558 | N | C | -2.0854 | |
| 559 | D | C | -1.7004 | |
| 560 | T | C | -0.9207 | |
| 561 | L | C | 0.0000 | |
| 562 | R | C | -1.1815 | |
| 563 | T | C | -1.2576 | |
| 564 | A | C | -1.3977 | |
| 565 | M | C | 0.0000 | |
| 566 | V | C | -1.6938 | |
| 567 | K | C | -2.6316 | |
| 568 | G | C | -2.4126 | |
| 569 | E | C | -2.4122 | |
| 570 | T | C | -1.3371 | |
| 571 | G | C | -0.5868 | |
| 572 | T | C | -0.6409 | |
| 573 | L | C | -0.7017 | |
| 574 | E | C | -2.4965 | |
| 575 | L | C | -2.2086 | |
| 576 | D | C | -2.8588 | |
| 577 | V | C | -1.5389 | |
| 578 | R | C | -0.9427 | |
| 579 | T | C | -0.2075 | |
| 580 | A | C | -0.4516 | |
| 581 | V | C | 0.0000 | |
| 582 | D | C | 0.0000 | |
| 583 | K | C | -1.9789 | |
| 584 | G | C | -1.0681 | |
| 585 | K | C | -0.9336 | |
| 586 | R | C | 0.0000 | |
| 587 | S | C | 0.0000 | |
| 588 | L | C | -0.0376 | |
| 589 | L | C | -0.2822 | |
| 590 | L | C | 0.0000 | |
| 591 | K | C | -2.9102 | |
| 592 | N | C | 0.0000 | |
| 593 | K | C | -1.7254 | |
| 594 | Y | C | 0.0000 | |
| 595 | F | C | 0.0000 | |
| 596 | Y | C | 0.0000 | |
| 597 | T | C | 0.0000 | |
| 598 | T | C | -1.9291 | |
| 599 | I | C | 0.0000 | |
| 600 | D | C | -3.2959 | |
| 601 | E | C | -2.8167 | |
| 602 | T | C | -1.7396 | |
| 603 | P | C | -1.2499 | |
| 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 | -1.7588 | |
| 613 | G | C | -1.1450 | |
| 614 | H | C | -0.5268 | |
| 615 | G | C | -0.6817 | |
| 616 | Q | C | -0.9993 | |
| 617 | Y | C | -0.7734 | |
| 618 | V | C | -0.5113 | |
| 619 | F | C | 0.0000 | |
| 620 | H | C | -0.7098 | |
| 621 | G | C | 0.0000 | |
| 622 | N | C | -0.9562 | |
| 623 | V | C | -0.5306 | |
| 624 | S | C | -0.9203 | |
| 625 | I | C | -0.8367 | |
| 626 | E | C | -2.4828 | |
| 627 | E | C | -2.6706 | |
| 628 | G | C | 0.0000 | |
| 629 | L | C | 0.0000 | |
| 630 | H | C | -2.4023 | |
| 631 | D | C | -1.7579 | |
| 632 | L | C | 0.0000 | |
| 633 | Q | C | -1.7743 | |
| 634 | Q | C | -1.4178 | |
| 635 | P | C | -0.8735 | |
| 636 | D | C | -0.7535 | |
| 637 | L | C | 0.0000 | |
| 638 | T | C | -0.4136 | |
| 639 | I | C | 0.0000 | |
| 640 | A | C | 0.0000 | |
| 641 | N | C | -1.9198 | |
| 642 | E | C | -2.2388 | |
| 643 | W | C | 0.0000 | |
| 644 | T | C | -0.9738 | |
| 645 | Y | C | 0.0000 | |
| 646 | C | C | 0.0000 | |
| 647 | E | C | -1.3784 | |
| 648 | T | C | -1.4229 | |
| 649 | D | C | -1.4253 | |
| 650 | I | C | -0.9382 | |
| 651 | D | C | -1.5398 | |
| 652 | P | C | -1.7207 | |
| 653 | Q | C | -2.1127 | |
| 654 | H | C | 0.0000 | |
| 655 | R | C | -2.0626 | |
| 656 | K | C | -2.4931 | |
| 657 | L | C | -1.2265 | |
| 658 | T | C | -0.9055 | |
| 659 | Q | C | 0.0000 | |
| 660 | L | C | -0.3368 | |
| 661 | Q | C | -0.7518 | |
| 662 | A | C | 0.0000 | |
| 663 | V | C | 0.0000 | |
| 664 | V | C | -0.6909 | |
| 665 | R | C | -1.3970 | |
| 666 | Y | C | -1.4005 | |
| 667 | L | C | -0.4755 | |
| 668 | T | C | -0.9948 | |
| 669 | G | C | -1.7635 | |
| 670 | K | C | -2.5882 | |
| 671 | E | C | -2.4580 | |
| 672 | P | C | -2.2881 | |
| 673 | E | C | -2.8549 | |
| 674 | L | C | 0.0000 | |
| 675 | E | C | -2.7714 | |
| 676 | C | C | -1.7709 | |
| 677 | D | C | -1.5892 | |
| 678 | E | C | -1.9964 | |
| 679 | V | C | -0.3544 | |
| 680 | L | C | 0.0000 | |
| 681 | L | C | 0.0000 | |
| 682 | Q | C | -1.1364 | |
| 683 | Q | C | 0.0000 | |
| 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 | -0.2689 | |
| 690 | V | C | 0.0000 | |
| 691 | T | C | 0.0000 | |
| 692 | A | C | -0.3638 | |
| 693 | P | C | -0.2002 | |
| 694 | L | C | 0.0000 | |
| 695 | E | C | -0.7126 | |
| 696 | A | C | -0.1098 | |
| 697 | Y | C | 0.2484 | |
| 698 | W | C | 0.0000 | |
| 699 | T | C | 0.2889 | |
| 700 | A | C | 0.4084 | |
| 701 | L | C | 0.3285 | |
| 702 | M | C | 0.6399 | |
| 703 | M | C | 0.8329 | |
| 704 | S | C | -0.2645 | |
| 705 | D | C | -1.4854 | |
| 706 | A | C | -0.6962 | |
| 707 | G | C | -0.4984 | |
| 708 | V | C | -0.3315 | |
| 709 | E | C | -1.3125 | |
| 710 | D | C | -2.0584 | |
| 711 | H | C | -1.4397 | |
| 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 | -0.2127 | |
| 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 | -0.0084 | |
| 727 | T | C | -0.2014 | |
| 728 | R | C | -0.5511 | |
| 729 | Y | C | -0.2757 | |
| 730 | I | C | -1.2038 | |
| 731 | G | C | -2.3693 | |
| 732 | K | C | -3.8470 | |
| 733 | E | C | -3.9263 | |
| 734 | E | C | -3.6359 | |
| 735 | R | C | 0.0000 | |
| 736 | K | C | -2.5257 | |
| 737 | G | C | 0.0000 | |
| 738 | K | C | -2.8168 | |
| 739 | N | C | -1.0598 | |
| 740 | F | C | 0.0000 | |
| 741 | L | C | 0.0000 | |
| 742 | T | C | -0.2057 | |
| 743 | P | C | 0.0237 | |
| 744 | V | C | 0.9322 | |
| 745 | D | C | 0.0000 | |
| 746 | K | C | -1.2645 | |
| 747 | E | C | -1.4960 | |
| 748 | N | C | 0.0000 | |
| 749 | L | C | -0.6316 | |
| 750 | F | C | 0.0000 | |
| 751 | T | C | 0.0000 | |
| 752 | M | C | -1.0791 | |
| 753 | D | C | -1.9425 | |
| 754 | H | C | -1.3882 | |
| 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 | -0.6153 | |
| 761 | L | C | 0.0000 | |
| 762 | A | C | 0.0000 | |
| 763 | A | C | 0.0000 | |
| 764 | E | C | -1.7030 | |
| 765 | N | C | -1.6966 | |
| 766 | K | C | -2.3924 | |
| 767 | P | C | -1.3853 | |
| 768 | G | C | -1.1790 | |
| 769 | Q | C | -1.2869 | |
| 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 | -1.3721 | |
| 777 | D | C | -1.9654 | |
| 778 | D | C | -2.2395 | |
| 779 | I | C | -1.1696 | |
| 780 | N | C | 0.0000 | |
| 781 | K | C | -3.0380 | |
| 782 | E | C | -3.0946 | |
| 783 | K | C | -2.2915 | |
| 784 | N | C | -1.6407 | |
| 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 | -0.6672 | |
| 796 | A | C | -1.2588 | |
| 797 | Q | C | -2.1985 | |
| 798 | N | C | -1.9112 | |
| 799 | R | C | -1.5430 | |
| 800 | I | C | 0.3182 | |
| 801 | A | C | 0.0000 | |
| 802 | L | C | 0.3120 | |
| 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 | -1.1764 | |
| 814 | L | C | 0.0000 | |
| 815 | L | C | 0.0000 | |
| 816 | E | C | -1.4806 | |
| 817 | R | C | -2.0892 | |
| 818 | R | C | -1.2838 | |
| 819 | F | C | 0.0000 | |
| 820 | W | C | -1.2236 | |
| 821 | A | C | -1.0684 | |
| 822 | T | C | -1.0677 | |
| 823 | A | C | 0.0000 | |
| 824 | K | C | -2.0055 | |
| 825 | E | C | -1.7811 | |
| 826 | A | C | -2.0690 | |
| 827 | D | C | -3.0841 | |
| 828 | D | C | -3.1009 | |
| 829 | T | C | -2.3129 | |
| 830 | D | C | -2.5976 | |
| 831 | C | C | -1.6134 | |
| 832 | S | C | -1.3327 | |
| 833 | N | C | -1.7826 | |
| 834 | V | C | -1.4497 | |
| 835 | D | C | -2.0338 | |
| 836 | G | C | -1.3006 | |
| 837 | L | C | -0.3554 | |
| 838 | C | C | -0.9155 | |
| 839 | P | C | -1.2091 | |
| 840 | L | C | 0.0000 | |
| 841 | S | C | -1.3959 | |
| 842 | C | C | 0.0000 | |
| 843 | E | C | -1.9212 | |
| 844 | S | C | -0.6120 | |
| 845 | I | C | 0.6086 | |
| 846 | D | C | -1.0326 | |
| 847 | I | C | 0.0000 | |
| 848 | N | C | -1.0186 | |
| 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 | -0.1842 | |
| 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 | -2.3691 | |
| 863 | E | C | -3.1366 | |
| 864 | R | C | -3.0910 | |
| 865 | S | C | -2.0602 | |
| 866 | D | C | -1.8559 | |
| 867 | V | C | 0.0000 | |
| 868 | G | C | -1.0347 | |
| 869 | K | C | -1.0346 | |
| 870 | F | C | 0.0000 | |
| 871 | F | C | 0.0000 | |
| 872 | G | C | 0.0000 | |
| 873 | E | C | -0.5977 | |
| 874 | V | C | -0.0025 | |
| 875 | D | C | -0.3098 | |
| 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 | -0.7688 | |
| 882 | L | C | 0.0000 | |
| 883 | L | C | -1.3817 | |
| 884 | K | C | -1.9674 | |
| 885 | S | C | -1.2486 | |
| 886 | G | C | -1.3837 | |
| 887 | L | C | 0.0000 | |
| 888 | F | C | 0.0000 | |
| 889 | K | C | -2.2783 | |
| 890 | R | C | -2.4110 | |
| 891 | E | C | -1.3807 | |
| 892 | T | C | -0.8253 | |
| 893 | L | C | 0.0000 | |
| 894 | Y | C | -0.6301 | |
| 895 | D | C | -0.8247 | |
| 896 | Y | C | -0.5640 | |
| 897 | Q | C | 0.0000 | |
| 898 | A | C | -0.3883 | |
| 899 | M | C | -0.5574 | |
| 900 | C | C | -1.5842 | |
| 901 | K | C | -2.5148 | |
| 902 | N | C | -2.6172 | |
| 903 | S | C | -2.4480 | |
| 904 | H | C | -2.5879 | |
| 905 | H | C | -2.3784 | |
| 906 | H | C | -2.3217 | |
| 907 | A | C | -1.4791 | |
| 908 | S | C | -1.1128 | |
| 909 | A | C | -0.3462 | |
| 910 | A | C | -0.1160 | |
| 911 | R | C | -1.0481 | |
| 912 | P | C | 0.2005 | |
| 913 | L | C | 1.7065 | |
| 914 | L | C | 1.6598 | |
| 915 | S | C | 1.0444 | |
| 916 | P | C | 1.2848 | |
| 917 | F | C | 3.0613 | |
| 918 | Y | C | 2.4222 | |
| 919 | N | C | 0.9750 | |
| 920 | L | C | 2.7458 | |
| 921 | M | C | 2.1929 | |
| 922 | A | C | 1.6027 | |
| 923 | V | C | 2.5372 | |
| 924 | V | C | 2.4044 | |
| 925 | K | C | 0.6359 | |
| 926 | W | C | 2.0009 | |
| 927 | L | C | 2.6106 | |
| 928 | F | C | 2.0675 | |
| 929 | S | C | 1.1761 | |
| 930 | N | C | 1.3145 | |
| 931 | L | C | 1.5349 | |
| 932 | I | C | 1.3391 | |
| 933 | M | C | 0.6963 | |
| 934 | F | C | 0.0000 | |
| 935 | F | C | 0.2690 | |
| 936 | L | C | 0.0000 | |
| 937 | E | C | -0.7846 | |
| 938 | F | C | -0.5028 | |
| 939 | N | C | -0.9750 | |
| 940 | I | C | 0.0000 | |
| 941 | S | C | -0.1878 | |
| 942 | G | C | -0.0714 | |
| 943 | L | C | 0.7264 | |
| 944 | W | C | 0.5365 | |
| 945 | H | C | -0.4464 | |
| 946 | N | C | -0.8749 | |
| 947 | G | C | 0.1924 | |
| 948 | F | C | 1.5495 | |
| 949 | L | C | 2.1172 | |
| 950 | V | C | 1.6945 | |
| 951 | D | C | -0.8445 | |
| 952 | A | C | -1.0380 | |
| 953 | K | C | -2.0640 | |
| 954 | S | C | -1.3770 | |
| 955 | G | C | -0.7846 | |
| 956 | Y | C | 0.2308 | |
| 957 | H | C | -0.9324 | |
| 958 | T | C | -0.8931 | |
| 959 | T | C | -1.7727 | |
| 960 | H | C | -2.8535 | |
| 961 | K | C | -3.7411 | |
| 962 | Q | C | -3.5155 | |
| 963 | K | C | -3.5738 | |
| 964 | K | C | -2.8618 | |
| 965 | V | C | -1.0865 | |
| 966 | E | C | -2.0628 | |
| 967 | S | C | -1.1665 | |
| 968 | M | C | -0.8377 | |
| 969 | V | C | -0.4122 | |
| 970 | P | C | -0.2936 | |
| 971 | C | C | -1.3302 | |
| 972 | N | C | -2.0308 | |
| 973 | T | C | 0.0000 | |
| 974 | E | C | -2.1823 | |
| 975 | Y | C | -1.1063 | |
| 976 | P | C | -0.9226 | |
| 977 | G | C | 0.0000 | |
| 978 | F | C | 0.0000 | |
| 979 | I | C | -0.5769 | |
| 980 | Y | C | 0.0000 | |
| 981 | D | C | -0.7900 | |
| 982 | T | C | -0.5265 | |
| 983 | S | C | -0.5135 | |
| 984 | I | C | -0.5500 | |
| 985 | R | C | -1.5150 | |
| 986 | E | C | -2.1577 | |
| 987 | T | C | -1.4458 | |
| 988 | N | C | -1.4051 | |
| 989 | S | C | -0.6416 | |
| 990 | I | C | -0.4661 | |
| 991 | I | C | 0.0000 | |
| 992 | K | C | -2.3681 | |
| 993 | C | C | 0.0000 | |
| 994 | G | C | -2.5430 | |
| 995 | R | C | -2.6234 | |
| 996 | C | C | -2.3667 | |
| 997 | Q | C | -2.0236 | |
| 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 | -0.8323 | |
| 1007 | N | C | -1.7003 | |
| 1008 | S | C | 0.0000 | |
| 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 | -1.2409 | |
| 1018 | D | C | -2.2991 | |
| 1019 | C | C | 0.0000 | |
| 1020 | D | C | -3.0664 | |
| 1021 | C | C | 0.0000 | |
| 1022 | S | C | -1.9859 | |
| 1023 | R | C | -2.8933 | |
| 1024 | Q | C | -2.6194 | |
| 1025 | Y | C | -1.2843 | |
| 1026 | S | C | -0.9286 | |
| 1027 | P | C | -0.6115 | |
| 1028 | I | C | 0.0516 | |
| 1029 | T | C | -0.1254 | |
| 1030 | L | C | -0.3818 | |
| 1031 | T | C | -0.7700 | |
| 1032 | P | C | -1.8396 | |
| 1033 | R | C | -3.5321 | |
| 1034 | E | C | -4.0236 | |
| 1035 | E | C | -3.7035 | |
| 1036 | N | C | -3.7005 | |
| 1037 | A | C | -2.5834 | |
| 1038 | K | C | -3.0235 | |
| 1039 | D | C | -2.5646 | |
| 1040 | C | C | -0.7950 | |
| 1041 | G | C | -1.3236 |
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 | -0.3185 | 7.4641 | View | CSV | PDB |
| 4.5 | -0.382 | 7.4641 | View | CSV | PDB |
| 5.0 | -0.4585 | 7.4641 | View | CSV | PDB |
| 5.5 | -0.5345 | 7.4641 | View | CSV | PDB |
| 6.0 | -0.5957 | 7.4641 | View | CSV | PDB |
| 6.5 | -0.6313 | 7.4641 | View | CSV | PDB |
| 7.0 | -0.6413 | 7.464 | View | CSV | PDB |
| 7.5 | -0.6339 | 7.464 | View | CSV | PDB |
| 8.0 | -0.6163 | 7.4637 | View | CSV | PDB |
| 8.5 | -0.5903 | 7.4628 | View | CSV | PDB |
| 9.0 | -0.5553 | 7.4601 | 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