Chain sequence(s) |
A: MSTPTDPGAMPHPGPSPGPGPSPGPILGPSPGPGPSPGSVHSMMGPSPGPPSVSHPMPTMGSTDFPQEGMHQMHKPIDGIHDKGIVEDIHCGSMKGTGMRPPHPGMGPPQSPMDQHSQGYMSPHPSPLGAPEHVSSPMSGGGPTPPQMPPSQPGALIPGDPQAMSQPNRGPSPFSPVQLHQLRAQILAYKMLARGQPLPETLQLAVQGKRTLPGLQQQQQQQQQQQQQQQQQQQQQQPQQQQQQQQQQQQPQQQPPQPQTQQQQQPALVNYNRPSGPGPELSGPSTPQKLPVPAPGGRPSPAPPAAAQPPAAAVPGPSVPQPAPGQPSPVLQLQQKQSRISPIQKPQGLDPVEILQEREYRLQARIAHRIQELENLPGSLPPDLRTKATVELKALRLLNFQRQLRQEVVACMRRDTTLETALNSKAYKRSKRQTLREARMTEKLEKQQKIEQERKRRQKHQEYLNSILQHAKDFKEYHRSVAGKIQKLSKAVATWHANTEREQKKETERIEKERMRRLMAEDEEGYRKLIDQKKDRRLAYLLQQTDEYVANLTNLVWEHKQAQAAKEKKKRRRRKKKAEENAEGGESALGPDGEPIDESSQMSDLPVKVTHTETGKVLFGPEAPKASQLDAWLEMNPGYEVAPRSDSEESDSDYEEEDEEEESSRQETEEKILLDPNSEEVSEKDAKQIIETAKQDVDDEYSMQYSARGSQSYYTVAHAISERVEKQSALLINGTLKHYQLQGLEWMVSLYNNNLNGILADEMGLGKTIQTIALITYLMEHKRLNGPYLIIVPLSTLSNWTYEFDKWAPSVVKISYKGTPAMRRSLVPQLRSGKFNVLLTTYEYIIKDKHILAKIRWKYMIVDEGHRMKNHHCKLTQVLNTHYVAPRRILLTGTPLQNKLPELWALLNFLLPTIFKSCSTFEQWFNAPFAMTGERVDLNEEETILIIRRLHKVLRPFLLRRLKKEVESQLPEKVEYVIKCDMSALQKILYRHMQAKGILLTDGSEKDKKGKGGAKTLMNTIMQLRKICNHPYMFQHIEESFAEHLGYSNGVINGAELYRASGKFELLDRILPKLRATNHRVLLFCQMTSLMTIMEDYFAFRNFLYLRLDGTTKSEDRAALLKKFNEPGSQYFIFLLSTRAGGLGLNLQAADTVVIFDSDWNPHQDLQAQDRAHRIGQQNEVRVLRLCTVNSVEEKILAAAKYKLNVDQKVIQAGMFDQKSSSHERRAFLQAILEHEEENEEEDEVPDDETLNQMIARREEEFDLFMRMDMDRRREDARNPKRKPRLMEEDELPSWIIKDDAEVERLTCEEEEEKIFGRGSRQRRDVDYSDALTEKQWLRAIEDGNLEEMEEEVRLKKRKRRRNVDKDPAKEDVEKAKKRRGRPPAEKLSPNPPKLTKQMNAIIDTVINYKDRCNVEKVPSNSQLEIEGNSSGRQLSEVFIQLPSRKELPEYYELIRKPVDFKKIKERIRNHKYRSLGDLEKDVMLLCHNAQTFNLEGSQIYEDSIVLQSVFKSARQKIAKEEESEDESNEEEEEEDEEESESEAKSVKVKIKLNKKDDKGRDKGKGKKRPNRGKAKPVVSDFDSDEEQDEREQSEGSGTDDE
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
pH calculations | Yes |
alphaCutter usage | No |
Dynamic mode | No |
Automated mutations | No |
Downloads | Download all the data |
Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:01) [INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01) [INFO] runJob: Creating pdb object from: input.pdb (00:00:01) [INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is recommended for pH analysis. (00:00:11) [INFO] FoldX: Starting FoldX energy minimization (00:00:11) [INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:53:32) [INFO] agg3D: Running pKa-ANI on /STORAGE/DATA/lcbio/aggreskan/75a670d26263e0c/tmp/folded.pdb (00:53:32) [INFO] Main: Simulation completed successfully. (01:23:26) |
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 | M | A | 0.9347 | |
2 | S | A | 0.2104 | |
3 | T | A | -0.1184 | |
4 | P | A | -0.7395 | |
5 | T | A | -1.1309 | |
6 | D | A | -2.1192 | |
7 | P | A | -1.4878 | |
8 | G | A | -0.7452 | |
9 | A | A | 0.2246 | |
10 | M | A | 0.5935 | |
11 | P | A | -0.1979 | |
12 | H | A | -1.1130 | |
13 | P | A | -1.0322 | |
14 | G | A | -0.9983 | |
15 | P | A | -0.7287 | |
16 | S | A | -0.6819 | |
17 | P | A | -0.7002 | |
18 | G | A | -0.8789 | |
19 | P | A | -0.8443 | |
20 | G | A | -0.8798 | |
21 | P | A | -0.7252 | |
22 | S | A | -0.6782 | |
23 | P | A | -0.6978 | |
24 | G | A | -0.3664 | |
25 | P | A | 0.6618 | |
26 | I | A | 2.4486 | |
27 | L | A | 2.1826 | |
28 | G | A | 0.4541 | |
29 | P | A | -0.3357 | |
30 | S | A | -0.6757 | |
31 | P | A | -0.6951 | |
32 | G | A | -0.8734 | |
33 | P | A | -0.8364 | |
34 | G | A | -0.8761 | |
35 | P | A | -0.7230 | |
36 | S | A | -0.6776 | |
37 | P | A | -0.6936 | |
38 | G | A | -0.3492 | |
39 | S | A | 0.2502 | |
40 | V | A | 1.0363 | |
41 | H | A | -0.0877 | |
42 | S | A | 0.3279 | |
43 | M | A | 1.2271 | |
44 | M | A | 1.3157 | |
45 | G | A | 0.0313 | |
46 | P | A | -0.4620 | |
47 | S | A | -0.7363 | |
48 | P | A | -0.7663 | |
49 | G | A | -0.8321 | |
50 | P | A | -0.7536 | |
51 | P | A | -0.2558 | |
52 | S | A | 0.4383 | |
53 | V | A | 1.3361 | |
54 | S | A | 0.0797 | |
55 | H | A | -0.6906 | |
56 | P | A | -0.4081 | |
57 | M | A | 0.5810 | |
58 | P | A | 0.4227 | |
59 | T | A | 0.4585 | |
60 | M | A | 0.7022 | |
61 | G | A | -0.1006 | |
62 | S | A | -0.6425 | |
63 | T | A | -0.8571 | |
64 | D | A | -1.0040 | |
65 | F | A | 0.6801 | |
66 | P | A | -0.4707 | |
67 | Q | A | -1.8993 | |
68 | E | A | -2.4999 | |
69 | G | A | -1.4460 | |
70 | M | A | -0.3274 | |
71 | H | A | -0.9008 | |
72 | Q | A | -1.1510 | |
73 | M | A | -0.6366 | |
74 | H | A | -1.5474 | |
75 | K | A | -1.6718 | |
76 | P | A | -0.7745 | |
77 | I | A | 0.5664 | |
78 | D | A | -0.6219 | |
79 | G | A | -0.1451 | |
80 | I | A | 0.4836 | |
81 | H | A | -1.4931 | |
82 | D | A | -2.9440 | |
83 | K | A | -2.7009 | |
84 | G | A | -0.1090 | |
85 | I | A | 1.9112 | |
86 | V | A | 1.3743 | |
87 | E | A | -1.1052 | |
88 | D | A | -1.6444 | |
89 | I | A | 0.3858 | |
90 | H | A | -0.0599 | |
91 | C | A | 0.3296 | |
92 | G | A | -0.1636 | |
93 | S | A | -0.1106 | |
94 | M | A | -0.1269 | |
95 | K | A | -1.4528 | |
96 | G | A | -1.2283 | |
97 | T | A | -0.6935 | |
98 | G | A | -0.4528 | |
99 | M | A | -0.1417 | |
100 | R | A | -1.6221 | |
101 | P | A | -1.3834 | |
102 | P | A | -1.4108 | |
103 | H | A | -1.3234 | |
104 | P | A | -0.8750 | |
105 | G | A | -0.4951 | |
106 | M | A | 0.3865 | |
107 | G | A | -0.2494 | |
108 | P | A | -0.6650 | |
109 | P | A | -1.1208 | |
110 | Q | A | -1.5306 | |
111 | S | A | -0.7552 | |
112 | P | A | -0.4710 | |
113 | M | A | -0.2684 | |
114 | D | A | -2.1378 | |
115 | Q | A | -2.4295 | |
116 | H | A | -2.2908 | |
117 | S | A | -1.6569 | |
118 | Q | A | -1.4902 | |
119 | G | A | -0.3621 | |
120 | Y | A | 1.3067 | |
121 | M | A | 1.4543 | |
122 | S | A | 0.1528 | |
123 | P | A | -0.6659 | |
124 | H | A | -1.3811 | |
125 | P | A | -1.0472 | |
126 | S | A | -0.3812 | |
127 | P | A | 0.1054 | |
128 | L | A | 1.1325 | |
129 | G | A | 0.3219 | |
130 | A | A | -0.3862 | |
131 | P | A | -1.3977 | |
132 | E | A | -2.0847 | |
133 | H | A | -1.1244 | |
134 | V | A | 0.7983 | |
135 | S | A | 0.2918 | |
136 | S | A | 0.1142 | |
137 | P | A | 0.0431 | |
138 | M | A | 0.6819 | |
139 | S | A | -0.0585 | |
140 | G | A | -0.6857 | |
141 | G | A | -1.0188 | |
142 | G | A | -0.9764 | |
143 | P | A | -0.7471 | |
144 | T | A | -0.6506 | |
145 | P | A | -0.7572 | |
146 | P | A | -0.7885 | |
147 | Q | A | -0.9596 | |
148 | M | A | 0.2190 | |
149 | P | A | -0.3536 | |
150 | P | A | -0.6960 | |
151 | S | A | -0.9737 | |
152 | Q | A | -1.6140 | |
153 | P | A | -0.9237 | |
154 | G | A | -0.5305 | |
155 | A | A | 0.8445 | |
156 | L | A | 2.2948 | |
157 | I | A | 2.5453 | |
158 | P | A | 0.4417 | |
159 | G | A | -0.9839 | |
160 | D | A | -2.4838 | |
161 | P | A | -1.6565 | |
162 | Q | A | -1.5409 | |
163 | A | A | -0.4780 | |
164 | M | A | 0.3371 | |
165 | S | A | -0.5962 | |
166 | Q | A | -1.7806 | |
167 | P | A | -1.9411 | |
168 | N | A | -2.7544 | |
169 | R | A | -2.9091 | |
170 | G | A | -1.7457 | |
171 | P | A | -0.9556 | |
172 | S | A | -0.3811 | |
173 | P | A | 0.0653 | |
174 | F | A | 1.1142 | |
175 | S | A | 0.5407 | |
176 | P | A | 0.6000 | |
177 | V | A | 0.9350 | |
178 | Q | A | 0.0744 | |
179 | L | A | 0.0267 | |
180 | H | A | -0.4096 | |
181 | Q | A | -1.1650 | |
182 | L | A | 0.0748 | |
183 | R | A | -0.9838 | |
184 | A | A | 0.0000 | |
185 | Q | A | -0.2702 | |
186 | I | A | 1.0272 | |
187 | L | A | 1.0226 | |
188 | A | A | 0.0000 | |
189 | Y | A | 1.1186 | |
190 | K | A | -0.4925 | |
191 | M | A | -0.1331 | |
192 | L | A | 0.7943 | |
193 | A | A | -0.4420 | |
194 | R | A | -2.0122 | |
195 | G | A | -1.3200 | |
196 | Q | A | -1.4231 | |
197 | P | A | -0.8059 | |
198 | L | A | -0.1834 | |
199 | P | A | -1.1080 | |
200 | E | A | -1.9365 | |
201 | T | A | -1.2067 | |
202 | L | A | -1.0056 | |
203 | Q | A | -1.8401 | |
204 | L | A | -1.8879 | |
205 | A | A | -1.7236 | |
206 | V | A | -1.5278 | |
207 | Q | A | -2.2487 | |
208 | G | A | -2.2094 | |
209 | K | A | -3.1419 | |
210 | R | A | -2.4394 | |
211 | T | A | -0.6565 | |
212 | L | A | 0.6412 | |
213 | P | A | -0.5453 | |
214 | G | A | -1.0797 | |
215 | L | A | -1.2278 | |
216 | Q | A | -2.8054 | |
217 | Q | A | -3.7668 | |
218 | Q | A | -4.0895 | |
219 | Q | A | -4.4370 | |
220 | Q | A | -4.6973 | |
221 | Q | A | -4.8935 | |
222 | Q | A | -4.8592 | |
223 | Q | A | -4.9589 | |
224 | Q | A | -4.9338 | |
225 | Q | A | -4.8418 | |
226 | Q | A | -4.7680 | |
227 | Q | A | -4.6995 | |
228 | Q | A | -4.4344 | |
229 | Q | A | -4.4419 | |
230 | Q | A | -4.4181 | |
231 | Q | A | -4.0707 | |
232 | Q | A | -3.9718 | |
233 | Q | A | -4.1160 | |
234 | Q | A | -3.8084 | |
235 | Q | A | -3.4974 | |
236 | Q | A | -3.5615 | |
237 | Q | A | -3.5075 | |
238 | P | A | -2.9263 | |
239 | Q | A | -3.5540 | |
240 | Q | A | -3.7744 | |
241 | Q | A | -3.8444 | |
242 | Q | A | -3.9861 | |
243 | Q | A | -4.0967 | |
244 | Q | A | -3.8135 | |
245 | Q | A | -3.7555 | |
246 | Q | A | -3.7018 | |
247 | Q | A | -3.5357 | |
248 | Q | A | -3.1671 | |
249 | Q | A | -2.8790 | |
250 | Q | A | -2.5969 | |
251 | P | A | -1.9999 | |
252 | Q | A | -2.4449 | |
253 | Q | A | -2.4823 | |
254 | Q | A | -2.2118 | |
255 | P | A | -1.5484 | |
256 | P | A | -1.3001 | |
257 | Q | A | -1.7848 | |
258 | P | A | -1.5498 | |
259 | Q | A | -1.8863 | |
260 | T | A | -1.7776 | |
261 | Q | A | -2.3213 | |
262 | Q | A | -2.7122 | |
263 | Q | A | -2.9808 | |
264 | Q | A | -2.7475 | |
265 | Q | A | -2.1325 | |
266 | P | A | -0.8112 | |
267 | A | A | 0.7532 | |
268 | L | A | 2.1047 | |
269 | V | A | 2.1636 | |
270 | N | A | 0.3015 | |
271 | Y | A | 0.0214 | |
272 | N | A | -1.7627 | |
273 | R | A | -2.3642 | |
274 | P | A | -1.7090 | |
275 | S | A | -0.9943 | |
276 | G | A | -0.8647 | |
277 | P | A | -0.8364 | |
278 | G | A | -1.2694 | |
279 | P | A | -1.2291 | |
280 | E | A | -1.3833 | |
281 | L | A | 0.4276 | |
282 | S | A | -0.0271 | |
283 | G | A | -0.4420 | |
284 | P | A | -0.6810 | |
285 | S | A | -0.5285 | |
286 | T | A | -0.5966 | |
287 | P | A | -1.2053 | |
288 | Q | A | -1.8560 | |
289 | K | A | -1.6291 | |
290 | L | A | 0.7493 | |
291 | P | A | 1.0054 | |
292 | V | A | 1.8587 | |
293 | P | A | 0.5812 | |
294 | A | A | 0.0673 | |
295 | P | A | -0.5919 | |
296 | G | A | -1.2128 | |
297 | G | A | -1.7038 | |
298 | R | A | -2.3529 | |
299 | P | A | -1.5569 | |
300 | S | A | -0.8780 | |
301 | P | A | -0.4486 | |
302 | A | A | -0.3005 | |
303 | P | A | -0.3915 | |
304 | P | A | -0.3318 | |
305 | A | A | -0.0843 | |
306 | A | A | -0.1995 | |
307 | A | A | -0.5380 | |
308 | Q | A | -1.3540 | |
309 | P | A | -1.0153 | |
310 | P | A | -0.6204 | |
311 | A | A | -0.0706 | |
312 | A | A | 0.4270 | |
313 | A | A | 0.9756 | |
314 | V | A | 1.5432 | |
315 | P | A | 0.4663 | |
316 | G | A | -0.3813 | |
317 | P | A | -0.1544 | |
318 | S | A | 0.3535 | |
319 | V | A | 1.2083 | |
320 | P | A | 0.0280 | |
321 | Q | A | -1.0689 | |
322 | P | A | -1.0053 | |
323 | A | A | -0.7348 | |
324 | P | A | -0.9217 | |
325 | G | A | -1.2050 | |
326 | Q | A | -1.6977 | |
327 | P | A | -1.2330 | |
328 | S | A | -0.3539 | |
329 | P | A | 0.6278 | |
330 | V | A | 2.0712 | |
331 | L | A | 2.0098 | |
332 | Q | A | 0.5178 | |
333 | L | A | 0.4451 | |
334 | Q | A | -1.6893 | |
335 | Q | A | -2.5547 | |
336 | K | A | -3.1580 | |
337 | Q | A | -2.7976 | |
338 | S | A | -1.6014 | |
339 | R | A | -1.3018 | |
340 | I | A | 1.1582 | |
341 | S | A | 0.5624 | |
342 | P | A | 0.4287 | |
343 | I | A | 1.0561 | |
344 | Q | A | -1.3517 | |
345 | K | A | -2.2997 | |
346 | P | A | -1.6201 | |
347 | Q | A | -1.9321 | |
348 | G | A | -1.0244 | |
349 | L | A | 0.1856 | |
350 | D | A | -0.8962 | |
351 | P | A | -0.0326 | |
352 | V | A | 0.6023 | |
353 | E | A | -1.5800 | |
354 | I | A | -0.4991 | |
355 | L | A | -0.1750 | |
356 | Q | A | -1.4696 | |
357 | E | A | -2.4298 | |
358 | R | A | -2.7232 | |
359 | E | A | -2.4950 | |
360 | Y | A | -1.3794 | |
361 | R | A | -2.7972 | |
362 | L | A | -1.7500 | |
363 | Q | A | -2.1708 | |
364 | A | A | -1.9827 | |
365 | R | A | -2.7551 | |
366 | I | A | -1.8301 | |
367 | A | A | -2.1464 | |
368 | H | A | -2.8564 | |
369 | R | A | -2.7242 | |
370 | I | A | -2.6016 | |
371 | Q | A | -3.2444 | |
372 | E | A | -3.3714 | |
373 | L | A | 0.0000 | |
374 | E | A | -2.6244 | |
375 | N | A | -2.4847 | |
376 | L | A | -1.3127 | |
377 | P | A | -0.7568 | |
378 | G | A | -0.8140 | |
379 | S | A | -0.5042 | |
380 | L | A | -0.3911 | |
381 | P | A | -0.8026 | |
382 | P | A | -1.4797 | |
383 | D | A | -2.1988 | |
384 | L | A | -0.8101 | |
385 | R | A | -1.3982 | |
386 | T | A | -1.2105 | |
387 | K | A | -1.7714 | |
388 | A | A | 0.0000 | |
389 | T | A | -0.5623 | |
390 | V | A | 0.2758 | |
391 | E | A | -0.6428 | |
392 | L | A | -1.3216 | |
393 | K | A | -1.5370 | |
394 | A | A | -0.4698 | |
395 | L | A | -0.6182 | |
396 | R | A | -1.6210 | |
397 | L | A | -0.6289 | |
398 | L | A | -0.8175 | |
399 | N | A | -1.6365 | |
400 | F | A | -0.3821 | |
401 | Q | A | -2.0516 | |
402 | R | A | -3.4884 | |
403 | Q | A | -3.0080 | |
404 | L | A | -2.0157 | |
405 | R | A | -3.3072 | |
406 | Q | A | -3.0431 | |
407 | E | A | -2.7988 | |
408 | V | A | -0.9001 | |
409 | V | A | -1.1110 | |
410 | A | A | -1.5004 | |
411 | C | A | -1.2077 | |
412 | M | A | -1.1359 | |
413 | R | A | -2.5782 | |
414 | R | A | -3.0594 | |
415 | D | A | -2.7856 | |
416 | T | A | -1.6830 | |
417 | T | A | -1.0703 | |
418 | L | A | 0.0140 | |
419 | E | A | -1.1658 | |
420 | T | A | -0.5169 | |
421 | A | A | 0.1389 | |
422 | L | A | 0.3778 | |
423 | N | A | -1.3214 | |
424 | S | A | -1.4972 | |
425 | K | A | -2.3344 | |
426 | A | A | -1.1303 | |
427 | Y | A | -0.9552 | |
428 | K | A | -2.9305 | |
429 | R | A | -3.2949 | |
430 | S | A | -2.8774 | |
431 | K | A | -3.7111 | |
432 | R | A | -3.3650 | |
433 | Q | A | -2.7005 | |
434 | T | A | -1.6613 | |
435 | L | A | -0.4053 | |
436 | R | A | -2.2179 | |
437 | E | A | -2.1631 | |
438 | A | A | -1.9561 | |
439 | R | A | -2.8604 | |
440 | M | A | -1.7881 | |
441 | T | A | -2.3878 | |
442 | E | A | -4.1688 | |
443 | K | A | -3.8921 | |
444 | L | A | -2.0683 | |
445 | E | A | -4.1526 | |
446 | K | A | -4.1852 | |
447 | Q | A | -3.5930 | |
448 | Q | A | -3.9894 | |
449 | K | A | -3.9766 | |
450 | I | A | -2.1008 | |
451 | E | A | -3.8440 | |
452 | Q | A | -4.3608 | |
453 | E | A | -4.6837 | |
454 | R | A | -5.3816 | |
455 | K | A | -5.7085 | |
456 | R | A | -6.0904 | |
457 | R | A | -6.1228 | |
458 | Q | A | -5.5591 | |
459 | K | A | -5.3271 | |
460 | H | A | -4.3027 | |
461 | Q | A | -3.6993 | |
462 | E | A | -3.2640 | |
463 | Y | A | -0.8093 | |
464 | L | A | -0.3747 | |
465 | N | A | -1.3828 | |
466 | S | A | -0.6384 | |
467 | I | A | 0.4045 | |
468 | L | A | 0.4177 | |
469 | Q | A | -1.5147 | |
470 | H | A | -1.7093 | |
471 | A | A | -1.1938 | |
472 | K | A | -2.7905 | |
473 | D | A | -2.5995 | |
474 | F | A | -0.8568 | |
475 | K | A | -3.0187 | |
476 | E | A | -3.2371 | |
477 | Y | A | -0.9552 | |
478 | H | A | -2.2124 | |
479 | R | A | -2.8413 | |
480 | S | A | -1.5651 | |
481 | V | A | -0.9888 | |
482 | A | A | -1.1448 | |
483 | G | A | -1.6582 | |
484 | K | A | -1.8757 | |
485 | I | A | -0.1205 | |
486 | Q | A | -1.7817 | |
487 | K | A | -2.2961 | |
488 | L | A | -0.4545 | |
489 | S | A | -0.7327 | |
490 | K | A | -1.8843 | |
491 | A | A | -0.3141 | |
492 | V | A | 0.3426 | |
493 | A | A | -0.3038 | |
494 | T | A | -0.3255 | |
495 | W | A | -0.0547 | |
496 | H | A | -1.6512 | |
497 | A | A | -2.0119 | |
498 | N | A | -3.0206 | |
499 | T | A | -3.4425 | |
500 | E | A | -4.9334 | |
501 | R | A | -5.6022 | |
502 | E | A | -5.8974 | |
503 | Q | A | -5.6420 | |
504 | K | A | -5.9446 | |
505 | K | A | -6.0654 | |
506 | E | A | -5.3809 | |
507 | T | A | -4.6144 | |
508 | E | A | -5.3716 | |
509 | R | A | -4.9874 | |
510 | I | A | -3.5968 | |
511 | E | A | -3.8268 | |
512 | K | A | -4.2519 | |
513 | E | A | -3.6215 | |
514 | R | A | 0.0000 | |
515 | M | A | -2.6053 | |
516 | R | A | -3.2980 | |
517 | R | A | -3.1333 | |
518 | L | A | 0.0000 | |
519 | M | A | -1.8664 | |
520 | A | A | -1.6706 | |
521 | E | A | -2.4590 | |
522 | D | A | -2.6346 | |
523 | E | A | -2.7503 | |
524 | E | A | -2.7596 | |
525 | G | A | 0.0000 | |
526 | Y | A | 0.0000 | |
527 | R | A | -3.8875 | |
528 | K | A | -4.1569 | |
529 | L | A | -3.3503 | |
530 | I | A | 0.0000 | |
531 | D | A | -4.8865 | |
532 | Q | A | -4.0030 | |
533 | K | A | -3.9505 | |
534 | K | A | -4.6426 | |
535 | D | A | -3.8443 | |
536 | R | A | -3.5951 | |
537 | R | A | -2.5724 | |
538 | L | A | 0.0000 | |
539 | A | A | -2.0813 | |
540 | Y | A | -0.7598 | |
541 | L | A | -0.8318 | |
542 | L | A | 0.0000 | |
543 | Q | A | -1.9712 | |
544 | Q | A | -1.4968 | |
545 | T | A | 0.0000 | |
546 | D | A | -2.6293 | |
547 | E | A | -3.0511 | |
548 | Y | A | -1.8196 | |
549 | V | A | -1.5063 | |
550 | A | A | -1.7714 | |
551 | N | A | -2.0637 | |
552 | L | A | 0.0000 | |
553 | T | A | -1.1406 | |
554 | N | A | -1.6150 | |
555 | L | A | -1.0693 | |
556 | V | A | 0.0000 | |
557 | W | A | -0.5860 | |
558 | E | A | -2.0303 | |
559 | H | A | -1.2461 | |
560 | K | A | -1.3039 | |
561 | Q | A | -1.9540 | |
562 | A | A | -1.7537 | |
563 | Q | A | -1.9371 | |
564 | A | A | -2.3050 | |
565 | A | A | -2.7879 | |
566 | K | A | -4.0281 | |
567 | E | A | -4.2761 | |
568 | K | A | -5.2423 | |
569 | K | A | -5.8322 | |
570 | K | A | -6.3718 | |
571 | R | A | -6.9190 | |
572 | R | A | -7.0966 | |
573 | R | A | -7.0460 | |
574 | R | A | -6.8515 | |
575 | K | A | -6.7529 | |
576 | K | A | -6.6358 | |
577 | K | A | -6.1178 | |
578 | A | A | -4.9194 | |
579 | E | A | -5.4769 | |
580 | E | A | -5.3037 | |
581 | N | A | -4.6116 | |
582 | A | A | -3.5655 | |
583 | E | A | -3.5538 | |
584 | G | A | -2.8143 | |
585 | G | A | -2.2523 | |
586 | E | A | -2.3761 | |
587 | S | A | -0.7620 | |
588 | A | A | 0.2273 | |
589 | L | A | 0.6264 | |
590 | G | A | -0.2222 | |
591 | P | A | -1.2520 | |
592 | D | A | -2.4451 | |
593 | G | A | -1.5997 | |
594 | E | A | -2.0756 | |
595 | P | A | -0.7573 | |
596 | I | A | 0.3395 | |
597 | D | A | -2.2165 | |
598 | E | A | -2.5531 | |
599 | S | A | -1.7331 | |
600 | S | A | -2.4648 | |
601 | Q | A | -2.3534 | |
602 | M | A | -1.6651 | |
603 | S | A | -1.5505 | |
604 | D | A | -1.7624 | |
605 | L | A | 0.0444 | |
606 | P | A | -0.4871 | |
607 | V | A | -0.3991 | |
608 | K | A | -0.5192 | |
609 | V | A | 0.0000 | |
610 | T | A | -0.9854 | |
611 | H | A | -1.6519 | |
612 | T | A | -1.7373 | |
613 | E | A | -2.3105 | |
614 | T | A | -1.6547 | |
615 | G | A | -1.6269 | |
616 | K | A | -1.5427 | |
617 | V | A | -0.1470 | |
618 | L | A | 0.2993 | |
619 | F | A | 1.0689 | |
620 | G | A | 0.0228 | |
621 | P | A | -0.6995 | |
622 | E | A | -1.5400 | |
623 | A | A | 0.0000 | |
624 | P | A | 0.0000 | |
625 | K | A | -2.0112 | |
626 | A | A | 0.0000 | |
627 | S | A | -1.4464 | |
628 | Q | A | -2.0894 | |
629 | L | A | -1.5478 | |
630 | D | A | -2.3654 | |
631 | A | A | -1.3879 | |
632 | W | A | -0.9962 | |
633 | L | A | -1.3252 | |
634 | E | A | -1.7248 | |
635 | M | A | -0.1226 | |
636 | N | A | -0.8175 | |
637 | P | A | -0.9146 | |
638 | G | A | -1.1448 | |
639 | Y | A | -1.3050 | |
640 | E | A | -1.6057 | |
641 | V | A | -0.5484 | |
642 | A | A | -0.6768 | |
643 | P | A | -1.7161 | |
644 | R | A | -2.5791 | |
645 | S | A | -2.5296 | |
646 | D | A | -3.2372 | |
647 | S | A | -2.7373 | |
648 | E | A | -3.6505 | |
649 | E | A | -3.6455 | |
650 | S | A | -2.7812 | |
651 | D | A | -3.1910 | |
652 | S | A | -2.1269 | |
653 | D | A | -2.3518 | |
654 | Y | A | -1.1488 | |
655 | E | A | -3.1727 | |
656 | E | A | -3.9040 | |
657 | E | A | -4.4533 | |
658 | D | A | -4.7975 | |
659 | E | A | -4.7139 | |
660 | E | A | -4.7265 | |
661 | E | A | -4.3459 | |
662 | E | A | -3.6662 | |
663 | S | A | -2.5035 | |
664 | S | A | -2.3484 | |
665 | R | A | -3.3058 | |
666 | Q | A | -3.3495 | |
667 | E | A | -3.7363 | |
668 | T | A | -3.0886 | |
669 | E | A | -3.6484 | |
670 | E | A | -3.0267 | |
671 | K | A | -1.4930 | |
672 | I | A | 1.3800 | |
673 | L | A | 2.1346 | |
674 | L | A | 1.4496 | |
675 | D | A | -0.9826 | |
676 | P | A | -1.4488 | |
677 | N | A | -2.4984 | |
678 | S | A | -2.1721 | |
679 | E | A | -2.7268 | |
680 | E | A | -2.3057 | |
681 | V | A | -0.7264 | |
682 | S | A | -2.1494 | |
683 | E | A | -3.4335 | |
684 | K | A | -3.6035 | |
685 | D | A | -3.1088 | |
686 | A | A | -2.0318 | |
687 | K | A | -3.1283 | |
688 | Q | A | -2.7972 | |
689 | I | A | -0.4642 | |
690 | I | A | -0.2711 | |
691 | E | A | -2.5784 | |
692 | T | A | -1.8675 | |
693 | A | A | -1.5461 | |
694 | K | A | -2.5931 | |
695 | Q | A | -3.1030 | |
696 | D | A | -3.3488 | |
697 | V | A | -1.3377 | |
698 | D | A | -2.5038 | |
699 | D | A | -2.7550 | |
700 | E | A | -1.6193 | |
701 | Y | A | -1.0259 | |
702 | S | A | -0.6816 | |
703 | M | A | 0.3611 | |
704 | Q | A | -0.4248 | |
705 | Y | A | 0.5085 | |
706 | S | A | -0.7057 | |
707 | A | A | -0.9690 | |
708 | R | A | -2.1627 | |
709 | G | A | -2.0702 | |
710 | S | A | -1.6669 | |
711 | Q | A | -1.6607 | |
712 | S | A | -1.2691 | |
713 | Y | A | 0.0000 | |
714 | Y | A | 0.0000 | |
715 | T | A | 0.0669 | |
716 | V | A | 0.0000 | |
717 | A | A | 0.0000 | |
718 | H | A | 0.0000 | |
719 | A | A | 0.8650 | |
720 | I | A | 1.7413 | |
721 | S | A | 0.1050 | |
722 | E | A | -1.3685 | |
723 | R | A | -2.9667 | |
724 | V | A | 0.0000 | |
725 | E | A | -3.4162 | |
726 | K | A | -2.9402 | |
727 | Q | A | -1.3335 | |
728 | S | A | 0.0000 | |
729 | A | A | 0.2398 | |
730 | L | A | 0.7001 | |
731 | L | A | 0.0000 | |
732 | I | A | 0.7612 | |
733 | N | A | -0.7457 | |
734 | G | A | -0.6222 | |
735 | T | A | -0.7158 | |
736 | L | A | 0.0000 | |
737 | K | A | -1.2959 | |
738 | H | A | -1.4907 | |
739 | Y | A | -0.7523 | |
740 | Q | A | 0.0000 | |
741 | L | A | -1.4507 | |
742 | Q | A | -1.1317 | |
743 | G | A | 0.0000 | |
744 | L | A | 0.0000 | |
745 | E | A | -1.5602 | |
746 | W | A | 0.0000 | |
747 | M | A | 0.0000 | |
748 | V | A | 0.0000 | |
749 | S | A | 0.0000 | |
750 | L | A | 0.0000 | |
751 | Y | A | 0.0000 | |
752 | N | A | 0.1303 | |
753 | N | A | 0.0000 | |
754 | N | A | -0.3106 | |
755 | L | A | 0.0000 | |
756 | N | A | 0.0000 | |
757 | G | A | 0.0000 | |
758 | I | A | 0.0000 | |
759 | L | A | 0.0000 | |
760 | A | A | 0.0000 | |
761 | D | A | 0.0000 | |
762 | E | A | -0.4016 | |
763 | M | A | -0.1711 | |
764 | G | A | -0.3376 | |
765 | L | A | 0.0000 | |
766 | G | A | -0.2001 | |
767 | K | A | -0.2058 | |
768 | T | A | -0.1154 | |
769 | I | A | 0.1854 | |
770 | Q | A | 0.0000 | |
771 | T | A | 0.0000 | |
772 | I | A | 0.0000 | |
773 | A | A | 0.0000 | |
774 | L | A | 0.0000 | |
775 | I | A | 0.0000 | |
776 | T | A | 0.0000 | |
777 | Y | A | 0.0000 | |
778 | L | A | 0.0000 | |
779 | M | A | 0.0000 | |
780 | E | A | -1.2890 | |
781 | H | A | -1.3072 | |
782 | K | A | -1.6889 | |
783 | R | A | -2.5052 | |
784 | L | A | -1.6543 | |
785 | N | A | -1.9259 | |
786 | G | A | -1.4935 | |
787 | P | A | -1.2513 | |
788 | Y | A | 0.0000 | |
789 | L | A | 0.0000 | |
790 | I | A | 0.0000 | |
791 | I | A | 0.0000 | |
792 | V | A | 0.0000 | |
793 | P | A | 0.0000 | |
794 | L | A | 0.4541 | |
795 | S | A | 0.1443 | |
796 | T | A | 0.0000 | |
797 | L | A | 0.0000 | |
798 | S | A | -0.1243 | |
799 | N | A | -0.3887 | |
800 | W | A | 0.0000 | |
801 | T | A | -0.4576 | |
802 | Y | A | -0.0881 | |
803 | E | A | -0.6118 | |
804 | F | A | 0.0000 | |
805 | D | A | -1.6877 | |
806 | K | A | -1.3393 | |
807 | W | A | -0.4195 | |
808 | A | A | 0.0000 | |
809 | P | A | -0.6905 | |
810 | S | A | -0.0131 | |
811 | V | A | 0.0000 | |
812 | V | A | 0.4112 | |
813 | K | A | -0.4432 | |
814 | I | A | 0.0000 | |
815 | S | A | -0.5696 | |
816 | Y | A | 0.0000 | |
817 | K | A | -0.9155 | |
818 | G | A | -0.5301 | |
819 | T | A | -0.5068 | |
820 | P | A | -0.8144 | |
821 | A | A | -0.5136 | |
822 | M | A | -0.3045 | |
823 | R | A | -1.1111 | |
824 | R | A | -1.8882 | |
825 | S | A | -0.9967 | |
826 | L | A | -0.9997 | |
827 | V | A | 0.0000 | |
828 | P | A | -1.6867 | |
829 | Q | A | -1.9037 | |
830 | L | A | 0.0000 | |
831 | R | A | -2.7066 | |
832 | S | A | -2.0924 | |
833 | G | A | -2.0570 | |
834 | K | A | -2.2752 | |
835 | F | A | 0.0000 | |
836 | N | A | 0.0000 | |
837 | V | A | 0.0000 | |
838 | L | A | 0.0000 | |
839 | L | A | 0.0000 | |
840 | T | A | 0.0000 | |
841 | T | A | 0.0000 | |
842 | Y | A | -0.4074 | |
843 | E | A | -1.2129 | |
844 | Y | A | 0.0000 | |
845 | I | A | 0.0000 | |
846 | I | A | -1.4224 | |
847 | K | A | -2.0951 | |
848 | D | A | -1.7678 | |
849 | K | A | -1.8100 | |
850 | H | A | -1.7262 | |
851 | I | A | -1.3742 | |
852 | L | A | 0.0000 | |
853 | A | A | 0.0000 | |
854 | K | A | -1.8590 | |
855 | I | A | 0.0000 | |
856 | R | A | -2.0132 | |
857 | W | A | 0.0000 | |
858 | K | A | -1.3403 | |
859 | Y | A | 0.0000 | |
860 | M | A | 0.0000 | |
861 | I | A | 0.0000 | |
862 | V | A | 0.0000 | |
863 | D | A | -0.4314 | |
864 | E | A | -0.5396 | |
865 | G | A | 0.0000 | |
866 | H | A | 0.0000 | |
867 | R | A | -1.3712 | |
868 | M | A | 0.0000 | |
869 | K | A | -1.4365 | |
870 | N | A | -1.9756 | |
871 | H | A | -1.7238 | |
872 | H | A | -2.0103 | |
873 | C | A | -2.1132 | |
874 | K | A | -2.3566 | |
875 | L | A | 0.0000 | |
876 | T | A | 0.0000 | |
877 | Q | A | -2.1615 | |
878 | V | A | 0.0000 | |
879 | L | A | 0.0000 | |
880 | N | A | -1.3737 | |
881 | T | A | -1.4522 | |
882 | H | A | -1.4740 | |
883 | Y | A | 0.0000 | |
884 | V | A | -0.4123 | |
885 | A | A | -0.5486 | |
886 | P | A | -0.5846 | |
887 | R | A | -0.4733 | |
888 | R | A | -0.4350 | |
889 | I | A | 0.0000 | |
890 | L | A | 0.0000 | |
891 | L | A | 0.0000 | |
892 | T | A | 0.0000 | |
893 | G | A | 0.0000 | |
894 | T | A | 0.0000 | |
895 | P | A | 0.0000 | |
896 | L | A | 0.0000 | |
897 | Q | A | -0.4381 | |
898 | N | A | -1.1062 | |
899 | K | A | -1.2438 | |
900 | L | A | 0.0000 | |
901 | P | A | -0.5699 | |
902 | E | A | 0.0000 | |
903 | L | A | 0.0000 | |
904 | W | A | 0.0000 | |
905 | A | A | 0.0000 | |
906 | L | A | 0.0000 | |
907 | L | A | 0.0000 | |
908 | N | A | -0.7339 | |
909 | F | A | 0.0000 | |
910 | L | A | 0.0000 | |
911 | L | A | 0.0000 | |
912 | P | A | -0.9708 | |
913 | T | A | -0.8710 | |
914 | I | A | 0.0000 | |
915 | F | A | 0.0000 | |
916 | K | A | -1.8615 | |
917 | S | A | -1.0357 | |
918 | C | A | -0.8021 | |
919 | S | A | -0.9168 | |
920 | T | A | -0.8864 | |
921 | F | A | 0.0000 | |
922 | E | A | -1.2341 | |
923 | Q | A | -1.4502 | |
924 | W | A | -0.5644 | |
925 | F | A | 0.0000 | |
926 | N | A | -0.6389 | |
927 | A | A | -0.6586 | |
928 | P | A | -0.3096 | |
929 | F | A | -0.0149 | |
930 | A | A | -0.1662 | |
931 | M | A | 0.3992 | |
932 | T | A | -0.4465 | |
933 | G | A | -1.4027 | |
934 | E | A | -2.6158 | |
935 | R | A | -2.4046 | |
936 | V | A | -0.8061 | |
937 | D | A | -2.2046 | |
938 | L | A | -1.3297 | |
939 | N | A | -1.8875 | |
940 | E | A | -2.2873 | |
941 | E | A | 0.0000 | |
942 | E | A | 0.0000 | |
943 | T | A | -0.9294 | |
944 | I | A | -0.5945 | |
945 | L | A | 0.0000 | |
946 | I | A | 0.0000 | |
947 | I | A | 0.0000 | |
948 | R | A | -0.5203 | |
949 | R | A | 0.0000 | |
950 | L | A | 0.0000 | |
951 | H | A | 0.0000 | |
952 | K | A | -0.4761 | |
953 | V | A | 0.0000 | |
954 | L | A | 0.0000 | |
955 | R | A | -0.3658 | |
956 | P | A | 0.0000 | |
957 | F | A | 0.0000 | |
958 | L | A | 0.0000 | |
959 | L | A | 0.0000 | |
960 | R | A | 0.0000 | |
961 | R | A | 0.0000 | |
962 | L | A | -0.7594 | |
963 | K | A | 0.0000 | |
964 | K | A | -2.6325 | |
965 | E | A | -2.1090 | |
966 | V | A | -1.1523 | |
967 | E | A | 0.0000 | |
968 | S | A | -1.6249 | |
969 | Q | A | -1.7807 | |
970 | L | A | -1.7500 | |
971 | P | A | -2.1627 | |
972 | E | A | -2.8038 | |
973 | K | A | -1.5948 | |
974 | V | A | -0.6390 | |
975 | E | A | -0.5912 | |
976 | Y | A | 0.3999 | |
977 | V | A | 0.3931 | |
978 | I | A | 0.0000 | |
979 | K | A | -0.8364 | |
980 | C | A | 0.0000 | |
981 | D | A | -0.9243 | |
982 | M | A | 0.0000 | |
983 | S | A | 0.0000 | |
984 | A | A | -1.7873 | |
985 | L | A | 0.0000 | |
986 | Q | A | 0.0000 | |
987 | K | A | -1.9429 | |
988 | I | A | -1.1462 | |
989 | L | A | 0.0000 | |
990 | Y | A | -1.4282 | |
991 | R | A | -2.7568 | |
992 | H | A | 0.0000 | |
993 | M | A | 0.0000 | |
994 | Q | A | -2.1860 | |
995 | A | A | -1.9261 | |
996 | K | A | -2.4614 | |
997 | G | A | -1.2705 | |
998 | I | A | 0.0000 | |
999 | L | A | 0.0000 | |
1000 | L | A | 0.0000 | |
1001 | T | A | 0.0000 | |
1002 | D | A | -1.7125 | |
1003 | G | A | -2.4155 | |
1004 | S | A | -2.4628 | |
1005 | E | A | -4.0084 | |
1006 | K | A | -5.1664 | |
1007 | D | A | -5.1429 | |
1008 | K | A | -4.4363 | |
1009 | K | A | -4.2918 | |
1010 | G | A | -3.9985 | |
1011 | K | A | -4.3485 | |
1012 | G | A | -3.7014 | |
1013 | G | A | -1.7487 | |
1014 | A | A | -1.3132 | |
1015 | K | A | -0.9886 | |
1016 | T | A | -0.3689 | |
1017 | L | A | 0.3580 | |
1018 | M | A | 0.7160 | |
1019 | N | A | 0.0000 | |
1020 | T | A | -0.1634 | |
1021 | I | A | 0.1801 | |
1022 | M | A | 0.2088 | |
1023 | Q | A | 0.0000 | |
1024 | L | A | 0.0000 | |
1025 | R | A | 0.0000 | |
1026 | K | A | -0.1389 | |
1027 | I | A | 0.0000 | |
1028 | C | A | 0.0000 | |
1029 | N | A | 0.0000 | |
1030 | H | A | 0.0000 | |
1031 | P | A | 0.0000 | |
1032 | Y | A | 0.0000 | |
1033 | M | A | -0.3358 | |
1034 | F | A | 0.0000 | |
1035 | Q | A | -1.5682 | |
1036 | H | A | -1.6306 | |
1037 | I | A | 0.0000 | |
1038 | E | A | -1.4512 | |
1039 | E | A | -2.1929 | |
1040 | S | A | -1.8207 | |
1041 | F | A | 0.0000 | |
1042 | A | A | 0.0000 | |
1043 | E | A | -2.5355 | |
1044 | H | A | -1.6200 | |
1045 | L | A | -0.6626 | |
1046 | G | A | -1.0934 | |
1047 | Y | A | -0.9580 | |
1048 | S | A | -1.1040 | |
1049 | N | A | -1.6804 | |
1050 | G | A | -1.6521 | |
1051 | V | A | -0.7962 | |
1052 | I | A | 0.0000 | |
1053 | N | A | -0.8277 | |
1054 | G | A | -0.5303 | |
1055 | A | A | -0.4780 | |
1056 | E | A | -0.5633 | |
1057 | L | A | 0.0000 | |
1058 | Y | A | -0.0382 | |
1059 | R | A | 0.0000 | |
1060 | A | A | 0.0000 | |
1061 | S | A | 0.0000 | |
1062 | G | A | 0.0000 | |
1063 | K | A | 0.0000 | |
1064 | F | A | 0.0000 | |
1065 | E | A | 0.0000 | |
1066 | L | A | 0.0000 | |
1067 | L | A | 0.0000 | |
1068 | D | A | 0.0000 | |
1069 | R | A | -0.2688 | |
1070 | I | A | 0.0000 | |
1071 | L | A | 0.0000 | |
1072 | P | A | -0.7118 | |
1073 | K | A | 0.0000 | |
1074 | L | A | 0.0000 | |
1075 | R | A | -1.8045 | |
1076 | A | A | -0.8805 | |
1077 | T | A | -0.9643 | |
1078 | N | A | -1.7900 | |
1079 | H | A | 0.0000 | |
1080 | R | A | -0.8979 | |
1081 | V | A | 0.0000 | |
1082 | L | A | 0.0000 | |
1083 | L | A | 0.0000 | |
1084 | F | A | 0.0000 | |
1085 | C | A | 0.0000 | |
1086 | Q | A | -0.5255 | |
1087 | M | A | -0.2798 | |
1088 | T | A | -0.2632 | |
1089 | S | A | -0.1608 | |
1090 | L | A | 0.0000 | |
1091 | M | A | 0.0000 | |
1092 | T | A | -0.3289 | |
1093 | I | A | -0.2153 | |
1094 | M | A | 0.0000 | |
1095 | E | A | -0.5055 | |
1096 | D | A | -0.9663 | |
1097 | Y | A | 0.0000 | |
1098 | F | A | 0.0000 | |
1099 | A | A | -0.5543 | |
1100 | F | A | -0.3862 | |
1101 | R | A | -0.9244 | |
1102 | N | A | -1.2236 | |
1103 | F | A | 0.0000 | |
1104 | L | A | 0.1494 | |
1105 | Y | A | 0.2455 | |
1106 | L | A | 0.0000 | |
1107 | R | A | -0.3958 | |
1108 | L | A | 0.0000 | |
1109 | D | A | -0.9661 | |
1110 | G | A | -1.0785 | |
1111 | T | A | -0.8189 | |
1112 | T | A | -1.9029 | |
1113 | K | A | -3.1475 | |
1114 | S | A | -2.5361 | |
1115 | E | A | -3.3634 | |
1116 | D | A | -3.4770 | |
1117 | R | A | -2.4377 | |
1118 | A | A | -1.8754 | |
1119 | A | A | -1.6988 | |
1120 | L | A | -1.3726 | |
1121 | L | A | -1.5097 | |
1122 | K | A | -2.8194 | |
1123 | K | A | -2.3377 | |
1124 | F | A | 0.0000 | |
1125 | N | A | -2.2593 | |
1126 | E | A | -3.0748 | |
1127 | P | A | -1.8959 | |
1128 | G | A | -1.4893 | |
1129 | S | A | -1.8357 | |
1130 | Q | A | -1.4116 | |
1131 | Y | A | -0.4752 | |
1132 | F | A | 0.0000 | |
1133 | I | A | 0.0000 | |
1134 | F | A | 0.0000 | |
1135 | L | A | 0.0000 | |
1136 | L | A | 0.0000 | |
1137 | S | A | -0.6436 | |
1138 | T | A | 0.0000 | |
1139 | R | A | -1.1935 | |
1140 | A | A | -0.7280 | |
1141 | G | A | 0.0000 | |
1142 | G | A | 0.0000 | |
1143 | L | A | -0.1379 | |
1144 | G | A | -0.3123 | |
1145 | L | A | 0.0000 | |
1146 | N | A | -1.0134 | |
1147 | L | A | 0.0000 | |
1148 | Q | A | -1.0533 | |
1149 | A | A | -1.1052 | |
1150 | A | A | 0.0000 | |
1151 | D | A | 0.0000 | |
1152 | T | A | 0.0000 | |
1153 | V | A | 0.0000 | |
1154 | V | A | 0.0000 | |
1155 | I | A | 0.0000 | |
1156 | F | A | 0.0000 | |
1157 | D | A | 0.0000 | |
1158 | S | A | 0.0000 | |
1159 | D | A | 0.0000 | |
1160 | W | A | -0.5158 | |
1161 | N | A | -0.3162 | |
1162 | P | A | 0.0000 | |
1163 | H | A | 0.0000 | |
1164 | Q | A | -0.3087 | |
1165 | D | A | 0.0000 | |
1166 | L | A | 0.2074 | |
1167 | Q | A | -0.1454 | |
1168 | A | A | 0.0000 | |
1169 | Q | A | 0.0000 | |
1170 | D | A | 0.0000 | |
1171 | R | A | 0.0000 | |
1172 | A | A | 0.0000 | |
1173 | H | A | 0.0000 | |
1174 | R | A | -0.8310 | |
1175 | I | A | -0.4246 | |
1176 | G | A | -0.9769 | |
1177 | Q | A | 0.0000 | |
1178 | Q | A | -2.2164 | |
1179 | N | A | -2.1361 | |
1180 | E | A | -1.7188 | |
1181 | V | A | 0.0000 | |
1182 | R | A | 0.0000 | |
1183 | V | A | 0.0000 | |
1184 | L | A | 0.0000 | |
1185 | R | A | 0.0000 | |
1186 | L | A | 0.0000 | |
1187 | C | A | 0.0000 | |
1188 | T | A | 0.0000 | |
1189 | V | A | -1.2110 | |
1190 | N | A | -1.9644 | |
1191 | S | A | 0.0000 | |
1192 | V | A | 0.0000 | |
1193 | E | A | 0.0000 | |
1194 | E | A | -1.4500 | |
1195 | K | A | -2.0593 | |
1196 | I | A | 0.0000 | |
1197 | L | A | -0.7028 | |
1198 | A | A | -0.8327 | |
1199 | A | A | -0.6959 | |
1200 | A | A | 0.0000 | |
1201 | K | A | -1.1858 | |
1202 | Y | A | -0.5252 | |
1203 | K | A | -0.6091 | |
1204 | L | A | -0.6610 | |
1205 | N | A | -1.2364 | |
1206 | V | A | 0.0000 | |
1207 | D | A | 0.0000 | |
1208 | Q | A | -0.6173 | |
1209 | K | A | -0.6353 | |
1210 | V | A | 0.0000 | |
1211 | I | A | 0.0000 | |
1212 | Q | A | -0.2959 | |
1213 | A | A | 0.0000 | |
1214 | G | A | 0.0000 | |
1215 | M | A | -0.4891 | |
1216 | F | A | 0.0000 | |
1217 | D | A | 0.0000 | |
1218 | Q | A | -1.1502 | |
1219 | K | A | -2.2837 | |
1220 | S | A | -1.8364 | |
1221 | S | A | -1.9135 | |
1222 | S | A | -2.2205 | |
1223 | H | A | -2.1349 | |
1224 | E | A | -2.3614 | |
1225 | R | A | -1.5250 | |
1226 | R | A | -1.5835 | |
1227 | A | A | -1.0153 | |
1228 | F | A | -0.6409 | |
1229 | L | A | 0.0000 | |
1230 | Q | A | -1.2490 | |
1231 | A | A | -1.1717 | |
1232 | I | A | -1.5653 | |
1233 | L | A | -2.1841 | |
1234 | E | A | -3.5946 | |
1235 | H | A | -4.1031 | |
1236 | E | A | -4.7003 | |
1237 | E | A | -4.9508 | |
1238 | E | A | -5.2473 | |
1239 | N | A | -4.9778 | |
1240 | E | A | -5.0300 | |
1241 | E | A | -4.8987 | |
1242 | E | A | -4.6602 | |
1243 | D | A | -4.2205 | |
1244 | E | A | -3.3933 | |
1245 | V | A | -1.2810 | |
1246 | P | A | -1.6743 | |
1247 | D | A | -2.7309 | |
1248 | D | A | -2.1148 | |
1249 | E | A | -2.8109 | |
1250 | T | A | -1.9195 | |
1251 | L | A | 0.0000 | |
1252 | N | A | 0.0000 | |
1253 | Q | A | -2.4130 | |
1254 | M | A | -0.6648 | |
1255 | I | A | 0.0000 | |
1256 | A | A | 0.0000 | |
1257 | R | A | -2.0953 | |
1258 | R | A | -3.7071 | |
1259 | E | A | -3.9626 | |
1260 | E | A | -3.5402 | |
1261 | E | A | 0.0000 | |
1262 | F | A | -2.6148 | |
1263 | D | A | -2.7395 | |
1264 | L | A | -1.1263 | |
1265 | F | A | 0.0000 | |
1266 | M | A | -1.5253 | |
1267 | R | A | -2.1089 | |
1268 | M | A | -1.3962 | |
1269 | D | A | 0.0000 | |
1270 | M | A | -1.7820 | |
1271 | D | A | -3.3512 | |
1272 | R | A | -2.9435 | |
1273 | R | A | -3.0255 | |
1274 | R | A | -4.0417 | |
1275 | E | A | -4.6107 | |
1276 | D | A | -4.4187 | |
1277 | A | A | -3.5856 | |
1278 | R | A | -4.1612 | |
1279 | N | A | -4.0755 | |
1280 | P | A | -2.8238 | |
1281 | K | A | -3.7528 | |
1282 | R | A | -4.5919 | |
1283 | K | A | -3.6715 | |
1284 | P | A | -2.0831 | |
1285 | R | A | -1.2273 | |
1286 | L | A | -0.8757 | |
1287 | M | A | 0.0000 | |
1288 | E | A | -3.4545 | |
1289 | E | A | -3.3210 | |
1290 | D | A | -3.1535 | |
1291 | E | A | -2.4477 | |
1292 | L | A | 0.0000 | |
1293 | P | A | 0.0000 | |
1294 | S | A | -0.3737 | |
1295 | W | A | -0.2130 | |
1296 | I | A | 0.0000 | |
1297 | I | A | -0.0553 | |
1298 | K | A | -1.5204 | |
1299 | D | A | -2.8323 | |
1300 | D | A | -3.0031 | |
1301 | A | A | -2.7546 | |
1302 | E | A | -3.3953 | |
1303 | V | A | 0.0000 | |
1304 | E | A | -3.7438 | |
1305 | R | A | -3.6170 | |
1306 | L | A | -2.8308 | |
1307 | T | A | -2.9315 | |
1308 | C | A | -3.0582 | |
1309 | E | A | -4.2828 | |
1310 | E | A | -4.1594 | |
1311 | E | A | -3.8959 | |
1312 | E | A | -3.5704 | |
1313 | E | A | -3.8279 | |
1314 | K | A | -3.0037 | |
1315 | I | A | -0.1764 | |
1316 | F | A | 0.4062 | |
1317 | G | A | -1.3530 | |
1318 | R | A | -2.0531 | |
1319 | G | A | -2.0858 | |
1320 | S | A | -2.4865 | |
1321 | R | A | -3.2421 | |
1322 | Q | A | -3.8339 | |
1323 | R | A | -4.0807 | |
1324 | R | A | -3.9437 | |
1325 | D | A | -2.8428 | |
1326 | V | A | -0.2864 | |
1327 | D | A | -1.1853 | |
1328 | Y | A | 0.5973 | |
1329 | S | A | 0.0981 | |
1330 | D | A | -0.3295 | |
1331 | A | A | -0.9434 | |
1332 | L | A | 0.0000 | |
1333 | T | A | -1.0837 | |
1334 | E | A | -1.3875 | |
1335 | K | A | -2.5751 | |
1336 | Q | A | -2.4092 | |
1337 | W | A | 0.0000 | |
1338 | L | A | -1.9316 | |
1339 | R | A | -3.5614 | |
1340 | A | A | 0.0000 | |
1341 | I | A | 0.0000 | |
1342 | E | A | -3.4099 | |
1343 | D | A | -3.3899 | |
1344 | G | A | -2.2737 | |
1345 | N | A | -2.1170 | |
1346 | L | A | -1.8967 | |
1347 | E | A | -1.8970 | |
1348 | E | A | -2.5882 | |
1349 | M | A | -1.9362 | |
1350 | E | A | -2.4655 | |
1351 | E | A | -3.4765 | |
1352 | E | A | -3.3874 | |
1353 | V | A | -2.5967 | |
1354 | R | A | -3.1660 | |
1355 | L | A | -2.9712 | |
1356 | K | A | -3.7727 | |
1357 | K | A | -4.1635 | |
1358 | R | A | -4.7079 | |
1359 | K | A | -4.9948 | |
1360 | R | A | -5.2677 | |
1361 | R | A | -5.2380 | |
1362 | R | A | -5.1953 | |
1363 | N | A | -4.2818 | |
1364 | V | A | -2.3919 | |
1365 | D | A | -3.8093 | |
1366 | K | A | -3.7983 | |
1367 | D | A | -3.3017 | |
1368 | P | A | -2.1862 | |
1369 | A | A | -2.2860 | |
1370 | K | A | -3.1587 | |
1371 | E | A | -3.3689 | |
1372 | D | A | -2.8986 | |
1373 | V | A | -1.1250 | |
1374 | E | A | -2.4097 | |
1375 | K | A | -2.8723 | |
1376 | A | A | -2.3856 | |
1377 | K | A | -3.2742 | |
1378 | K | A | -4.1016 | |
1379 | R | A | -4.0681 | |
1380 | R | A | -3.8101 | |
1381 | G | A | -2.9433 | |
1382 | R | A | -2.6588 | |
1383 | P | A | -1.8994 | |
1384 | P | A | -1.5367 | |
1385 | A | A | -1.4324 | |
1386 | E | A | -2.2951 | |
1387 | K | A | -1.9630 | |
1388 | L | A | -0.3895 | |
1389 | S | A | -0.4114 | |
1390 | P | A | -1.0264 | |
1391 | N | A | 0.0000 | |
1392 | P | A | -1.1969 | |
1393 | P | A | -1.5859 | |
1394 | K | A | -2.3835 | |
1395 | L | A | -1.5396 | |
1396 | T | A | -1.9904 | |
1397 | K | A | -2.4832 | |
1398 | Q | A | -1.6032 | |
1399 | M | A | 0.0000 | |
1400 | N | A | -1.5234 | |
1401 | A | A | -1.0224 | |
1402 | I | A | 0.0000 | |
1403 | I | A | 0.0000 | |
1404 | D | A | -1.2920 | |
1405 | T | A | -0.9501 | |
1406 | V | A | 0.0000 | |
1407 | I | A | -1.0480 | |
1408 | N | A | -2.0698 | |
1409 | Y | A | -1.7143 | |
1410 | K | A | -3.4007 | |
1411 | D | A | -3.1966 | |
1412 | R | A | -2.8210 | |
1413 | C | A | -1.2216 | |
1414 | N | A | -1.3295 | |
1415 | V | A | 0.0289 | |
1416 | E | A | -1.6453 | |
1417 | K | A | -1.5107 | |
1418 | V | A | 0.4381 | |
1419 | P | A | -0.4364 | |
1420 | S | A | -1.0222 | |
1421 | N | A | -1.4537 | |
1422 | S | A | -1.3072 | |
1423 | Q | A | -1.0813 | |
1424 | L | A | 0.2105 | |
1425 | E | A | -0.9368 | |
1426 | I | A | 0.2056 | |
1427 | E | A | -1.6947 | |
1428 | G | A | -1.7603 | |
1429 | N | A | -1.8527 | |
1430 | S | A | -1.7162 | |
1431 | S | A | -1.9750 | |
1432 | G | A | -2.6708 | |
1433 | R | A | -3.5648 | |
1434 | Q | A | -2.9575 | |
1435 | L | A | 0.0000 | |
1436 | S | A | 0.0000 | |
1437 | E | A | -1.4962 | |
1438 | V | A | 0.8052 | |
1439 | F | A | 0.0000 | |
1440 | I | A | -0.7973 | |
1441 | Q | A | -1.4238 | |
1442 | L | A | -0.5278 | |
1443 | P | A | -0.9535 | |
1444 | S | A | -2.1024 | |
1445 | R | A | -3.5556 | |
1446 | K | A | -3.6266 | |
1447 | E | A | -3.2966 | |
1448 | L | A | -2.3351 | |
1449 | P | A | -2.6559 | |
1450 | E | A | -2.6238 | |
1451 | Y | A | -1.4476 | |
1452 | Y | A | -1.7375 | |
1453 | E | A | -2.3605 | |
1454 | L | A | -0.6837 | |
1455 | I | A | 0.0000 | |
1456 | R | A | -2.4397 | |
1457 | K | A | -1.8504 | |
1458 | P | A | -0.9208 | |
1459 | V | A | 0.0000 | |
1460 | D | A | 0.0000 | |
1461 | F | A | 0.0000 | |
1462 | K | A | -3.0077 | |
1463 | K | A | -3.0487 | |
1464 | I | A | 0.0000 | |
1465 | K | A | -3.0271 | |
1466 | E | A | -4.0639 | |
1467 | R | A | -3.5173 | |
1468 | I | A | 0.0000 | |
1469 | R | A | -3.7657 | |
1470 | N | A | -3.1743 | |
1471 | H | A | -2.5864 | |
1472 | K | A | -2.9030 | |
1473 | Y | A | 0.0000 | |
1474 | R | A | -1.6645 | |
1475 | S | A | -1.0038 | |
1476 | L | A | -0.8650 | |
1477 | G | A | -1.3755 | |
1478 | D | A | -1.8469 | |
1479 | L | A | 0.0000 | |
1480 | E | A | -2.2401 | |
1481 | K | A | -2.2340 | |
1482 | D | A | 0.0000 | |
1483 | V | A | 0.0000 | |
1484 | M | A | -0.9957 | |
1485 | L | A | -0.9078 | |
1486 | L | A | 0.0000 | |
1487 | C | A | 0.0000 | |
1488 | H | A | -0.7167 | |
1489 | N | A | 0.0000 | |
1490 | A | A | 0.0000 | |
1491 | Q | A | -0.5318 | |
1492 | T | A | -0.0061 | |
1493 | F | A | 0.3755 | |
1494 | N | A | -0.1779 | |
1495 | L | A | 0.2029 | |
1496 | E | A | -1.7384 | |
1497 | G | A | -1.6782 | |
1498 | S | A | -1.2783 | |
1499 | Q | A | -1.7563 | |
1500 | I | A | -0.2322 | |
1501 | Y | A | -1.0071 | |
1502 | E | A | -1.8626 | |
1503 | D | A | 0.0000 | |
1504 | S | A | 0.0000 | |
1505 | I | A | 0.5811 | |
1506 | V | A | 0.4916 | |
1507 | L | A | 0.0000 | |
1508 | Q | A | -0.4689 | |
1509 | S | A | 0.0348 | |
1510 | V | A | -0.1523 | |
1511 | F | A | 0.0000 | |
1512 | K | A | -2.6255 | |
1513 | S | A | -1.6289 | |
1514 | A | A | 0.0000 | |
1515 | R | A | -2.7724 | |
1516 | Q | A | -3.2758 | |
1517 | K | A | -3.5831 | |
1518 | I | A | -2.8879 | |
1519 | A | A | -3.2279 | |
1520 | K | A | -4.7607 | |
1521 | E | A | -5.1527 | |
1522 | E | A | -5.2636 | |
1523 | E | A | -5.2197 | |
1524 | S | A | -4.7292 | |
1525 | E | A | -5.4073 | |
1526 | D | A | -5.3881 | |
1527 | E | A | -4.6415 | |
1528 | S | A | -3.9020 | |
1529 | N | A | -4.4489 | |
1530 | E | A | -4.4853 | |
1531 | E | A | -4.3219 | |
1532 | E | A | -4.7351 | |
1533 | E | A | -4.4884 | |
1534 | E | A | -4.3873 | |
1535 | E | A | -4.5377 | |
1536 | D | A | -4.3428 | |
1537 | E | A | -4.3232 | |
1538 | E | A | -4.0459 | |
1539 | E | A | -3.5722 | |
1540 | S | A | -2.4563 | |
1541 | E | A | -2.8017 | |
1542 | S | A | -2.2345 | |
1543 | E | A | -2.7737 | |
1544 | A | A | -1.7237 | |
1545 | K | A | -2.0370 | |
1546 | S | A | -0.5984 | |
1547 | V | A | 0.6995 | |
1548 | K | A | -0.4193 | |
1549 | V | A | 0.8542 | |
1550 | K | A | -0.3665 | |
1551 | I | A | 0.8615 | |
1552 | K | A | -0.5318 | |
1553 | L | A | 0.0328 | |
1554 | N | A | -2.1276 | |
1555 | K | A | -3.2010 | |
1556 | K | A | -4.1212 | |
1557 | D | A | -4.3946 | |
1558 | D | A | -3.9753 | |
1559 | K | A | -3.5474 | |
1560 | G | A | -3.0044 | |
1561 | R | A | -3.6992 | |
1562 | D | A | -3.7726 | |
1563 | K | A | -3.5472 | |
1564 | G | A | -2.7602 | |
1565 | K | A | -2.9113 | |
1566 | G | A | -2.7073 | |
1567 | K | A | -3.5910 | |
1568 | K | A | -3.6301 | |
1569 | R | A | -3.6388 | |
1570 | P | A | -2.6693 | |
1571 | N | A | -2.9114 | |
1572 | R | A | -3.4003 | |
1573 | G | A | -2.7567 | |
1574 | K | A | -2.7530 | |
1575 | A | A | -1.5435 | |
1576 | K | A | -1.6352 | |
1577 | P | A | 0.0073 | |
1578 | V | A | 1.8520 | |
1579 | V | A | 1.8584 | |
1580 | S | A | 0.3880 | |
1581 | D | A | -0.8221 | |
1582 | F | A | 0.1583 | |
1583 | D | A | -1.8834 | |
1584 | S | A | -2.3858 | |
1585 | D | A | -3.6494 | |
1586 | E | A | -4.3858 | |
1587 | E | A | -4.4730 | |
1588 | Q | A | -4.4346 | |
1589 | D | A | -4.6434 | |
1590 | E | A | -4.7574 | |
1591 | R | A | -4.5602 | |
1592 | E | A | -4.2926 | |
1593 | Q | A | -3.4056 | |
1594 | S | A | -2.5221 | |
1595 | E | A | -2.7865 | |
1596 | G | A | -1.7829 | |
1597 | S | A | -1.1115 | |
1598 | G | A | -1.3453 | |
1599 | T | A | -1.6445 | |
1600 | D | A | -3.1591 | |
1601 | D | A | -3.5675 | |
1602 | E | A | -3.0349 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
4.0 | -1.2118 | 5.0353 | View | CSV | PDB |
4.5 | -1.3099 | 4.8678 | View | CSV | PDB |
5.0 | -1.4361 | 4.8102 | View | CSV | PDB |
5.5 | -1.5642 | 4.8102 | View | CSV | PDB |
6.0 | -1.6662 | 4.8102 | View | CSV | PDB |
6.5 | -1.7225 | 4.8102 | View | CSV | PDB |
7.0 | -1.7296 | 4.8102 | View | CSV | PDB |
7.5 | -1.7005 | 4.8102 | View | CSV | PDB |
8.0 | -1.6513 | 4.8102 | View | CSV | PDB |
8.5 | -1.5904 | 4.8102 | View | CSV | PDB |
9.0 | -1.5192 | 4.8102 | View | CSV | PDB |