Chain sequence(s) |
A: NIANSIDILQEKEGHLDFVIIPHYTFLDYYKHLSYNSIYHKSSTYGKYIAVDAFIKKINEAYDKVKSKCNDIKNDLIATIKKLEHPYDINNKNRAFKKMMDEYNTKKKKLIKCIKNHENDFNKICMDMKNYGTNLFEQLSCYNNNFCNTNGIRYHYDEYIHKLILSVKSKNLNKDLSDMTNILQQSELLLTNLNKKMGSYIYIDTIKFIHKEMKHIFNRIEYHTKIINDKTKIIQDKIKLNIWRTFQKDELLKRILDMSNEYSLFITSDHLRQMLYNTFYSKEKHLNNIFHHLIYVLQM
C: NIANSIDILQEKEGHLDFVIIPHYTFLDYYKHLSYNSIYHKSSTYGKYIAVDAFIKKINEAYDKVKSKCNDIKNDLIATIKKLEHPKKMMDEYNTKKKKLIKCIKNHENDFNKICMDMKNYGTNLFEQLSCYNNNFCNTNGIRYHYDEYIHKLILSVKSKNLNKDLSDMTNILQQSELLLTNLNKIYIDTIKFIHKEMKHIFNRIEYHTKIINDKTKIIQDKIKLNIWRTFQKDELLKRILDMSNEYSLFITSSDHLRQMLYNTFYSKEKHLNNIFHHLIYVLQ B: QVQLQESGPGLVKPSETLSLTCTVSGGPISSYYWNWIRQPPGKGLEWIGHFYHSGSTNYNPSLKSRVTISVDTSKNQFYLNLSSVTAADSAVYFCARQVTMIQGLIDSSWGQGMLVTVSGSDIQMTQSPSSLSASVGDRVTITCQASQDINNSLNWYQQKPGKALKLLIYDVSNLETGVPSRFSGEGSGTDFSLIISSLQPEDIATYYCQQYEALPLTFGGGTKVEIK D: QVQLQESGPGLVKPSETLSLTCTVSGGPISSYYWNWIRQPPGKGLEWIGHFYHSGSTNYNPSLKSRVTISVDTSKNQFYLNLSSVTAADSAVYFCARQVTMIQGLIDSWGQGMLVTVSDIQMTQSPSSLSASVGDRVTITCQASQDINNSLNWYQQKPGKALKLLIYDVSNLETGVPSRFSGEGSGTDFSLIISSLQPEEDIATYYCQQYEALPLTFGGGTKVEIK input PDB |
Selected Chain(s) | A,C,B,D |
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] (00:00:00) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:00) [INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00) [INFO] runJob: Creating pdb object from: input.pdb (00:00:00) [INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:03) [INFO] FoldX: Starting FoldX energy minimization (00:00:04) [INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:24:54) [INFO] agg3D: Running pKa-ANI on /STORAGE/DATA/lcbio/aggreskan/7762e4d88e6af35/tmp/folded.pdb (00:24:54) [INFO] Main: Simulation completed successfully. (00:41:14) |
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 |
---|---|---|---|---|
156 | N | A | -1.6087 | |
157 | I | A | -1.0016 | |
158 | A | A | -1.5583 | |
159 | N | A | -1.4129 | |
160 | S | A | -0.6274 | |
161 | I | A | 0.0278 | |
162 | D | A | 0.0000 | |
163 | I | A | -0.0519 | |
164 | L | A | 0.0000 | |
165 | Q | A | 0.0000 | |
166 | E | A | -2.6082 | |
167 | K | A | -3.4877 | |
168 | E | A | -3.6845 | |
169 | G | A | -2.6675 | |
170 | H | A | -2.9072 | |
171 | L | A | 0.0000 | |
172 | D | A | -1.3536 | |
173 | F | A | 0.0000 | |
174 | V | A | 0.2198 | |
175 | I | A | 0.0000 | |
176 | I | A | 0.4308 | |
177 | P | A | 0.2974 | |
178 | H | A | 0.0000 | |
179 | Y | A | 0.7378 | |
180 | T | A | 0.5157 | |
181 | F | A | 0.6222 | |
182 | L | A | 0.2960 | |
183 | D | A | 0.0000 | |
184 | Y | A | -0.0517 | |
185 | Y | A | 0.0000 | |
186 | K | A | -0.4204 | |
187 | H | A | 0.0000 | |
188 | L | A | 0.0000 | |
189 | S | A | 0.0000 | |
190 | Y | A | 0.0000 | |
191 | N | A | 0.0000 | |
192 | S | A | 0.0000 | |
193 | I | A | 0.0000 | |
194 | Y | A | 0.0000 | |
195 | H | A | 0.0000 | |
196 | K | A | -2.1035 | |
197 | S | A | -1.1772 | |
198 | S | A | -0.9152 | |
199 | T | A | -0.7234 | |
200 | Y | A | -0.0806 | |
201 | G | A | 0.1118 | |
202 | K | A | 0.2684 | |
203 | Y | A | 1.3300 | |
204 | I | A | 1.9488 | |
205 | A | A | 0.6333 | |
206 | V | A | 0.0000 | |
207 | D | A | -0.0759 | |
208 | A | A | -0.2831 | |
209 | F | A | 0.0000 | |
210 | I | A | -1.4677 | |
211 | K | A | -2.8022 | |
212 | K | A | -2.2743 | |
213 | I | A | 0.0000 | |
214 | N | A | -3.4665 | |
215 | E | A | -4.0016 | |
216 | A | A | -2.8239 | |
217 | Y | A | -2.9507 | |
218 | D | A | -3.9182 | |
219 | K | A | -3.8285 | |
220 | V | A | 0.0000 | |
221 | K | A | -2.6419 | |
222 | S | A | -2.6945 | |
223 | K | A | -3.0111 | |
224 | C | A | 0.0000 | |
225 | N | A | -2.7411 | |
226 | D | A | -3.0108 | |
227 | I | A | -2.6010 | |
228 | K | A | -2.4656 | |
229 | N | A | -2.6069 | |
230 | D | A | -2.4243 | |
231 | L | A | 0.0000 | |
232 | I | A | -1.7063 | |
233 | A | A | -1.1777 | |
234 | T | A | 0.0000 | |
235 | I | A | 0.0000 | |
236 | K | A | -1.8519 | |
237 | K | A | -0.8797 | |
238 | L | A | 0.0000 | |
239 | E | A | 0.0000 | |
240 | H | A | 0.0000 | |
241 | P | A | 0.1552 | |
242 | Y | A | 1.6212 | |
243 | D | A | 0.0000 | |
244 | I | A | 1.3718 | |
245 | N | A | -0.8843 | |
246 | N | A | -1.5089 | |
247 | K | A | -2.7250 | |
248 | N | A | -2.8178 | |
249 | R | A | -2.7699 | |
250 | A | A | -1.9736 | |
251 | F | A | -1.5889 | |
252 | K | A | -2.7425 | |
253 | K | A | -3.0559 | |
254 | M | A | 0.0000 | |
255 | M | A | -2.1811 | |
256 | D | A | -3.0611 | |
257 | E | A | -2.2463 | |
258 | Y | A | 0.0000 | |
259 | N | A | -2.5302 | |
260 | T | A | -2.2739 | |
261 | K | A | -2.5597 | |
262 | K | A | -2.5312 | |
263 | K | A | -3.2815 | |
264 | K | A | -3.3659 | |
265 | L | A | 0.0000 | |
266 | I | A | -2.1541 | |
267 | K | A | -3.2560 | |
268 | C | A | 0.0000 | |
269 | I | A | 0.0000 | |
270 | K | A | -2.9488 | |
271 | N | A | -2.8361 | |
272 | H | A | -2.8633 | |
273 | E | A | -2.9260 | |
274 | N | A | -3.1327 | |
275 | D | A | -3.0920 | |
276 | F | A | 0.0000 | |
277 | N | A | -1.9199 | |
278 | K | A | -1.9202 | |
279 | I | A | 0.0000 | |
280 | C | A | 0.0000 | |
281 | M | A | -0.2721 | |
282 | D | A | 0.0000 | |
283 | M | A | 0.0000 | |
284 | K | A | -0.5352 | |
285 | N | A | 0.0000 | |
286 | Y | A | -0.0511 | |
287 | G | A | 0.0000 | |
288 | T | A | -0.7603 | |
289 | N | A | -0.9694 | |
290 | L | A | 0.0000 | |
291 | F | A | -0.8857 | |
292 | E | A | -2.2556 | |
293 | Q | A | -2.2262 | |
294 | L | A | 0.0000 | |
295 | S | A | -1.1989 | |
296 | C | A | -0.4676 | |
297 | Y | A | 0.7598 | |
298 | N | A | -0.6620 | |
299 | N | A | -2.1322 | |
300 | N | A | -1.7266 | |
301 | F | A | 0.1158 | |
302 | C | A | 0.0000 | |
303 | N | A | -1.8137 | |
304 | T | A | 0.0000 | |
305 | N | A | -1.2934 | |
306 | G | A | 0.0000 | |
307 | I | A | 0.0000 | |
308 | R | A | -1.0802 | |
309 | Y | A | -0.8649 | |
310 | H | A | 0.0000 | |
311 | Y | A | 0.0000 | |
312 | D | A | -2.3047 | |
313 | E | A | -2.2069 | |
314 | Y | A | -1.1356 | |
315 | I | A | 0.0000 | |
316 | H | A | -1.4696 | |
317 | K | A | -1.8734 | |
318 | L | A | -0.4806 | |
319 | I | A | 0.0000 | |
320 | L | A | -0.1391 | |
321 | S | A | -0.7988 | |
322 | V | A | 0.0000 | |
323 | K | A | -2.0786 | |
324 | S | A | -1.3726 | |
325 | K | A | -2.3665 | |
326 | N | A | -3.0276 | |
327 | L | A | 0.0000 | |
328 | N | A | -2.9659 | |
329 | K | A | -3.3682 | |
330 | D | A | -2.7577 | |
331 | L | A | 0.0000 | |
332 | S | A | -2.2421 | |
333 | D | A | -2.9277 | |
334 | M | A | 0.0000 | |
335 | T | A | -1.8753 | |
336 | N | A | -2.5691 | |
337 | I | A | -1.6355 | |
338 | L | A | 0.0000 | |
339 | Q | A | -1.8522 | |
340 | Q | A | -1.7145 | |
341 | S | A | 0.0000 | |
342 | E | A | -1.5172 | |
343 | L | A | -0.1759 | |
344 | L | A | -0.4882 | |
345 | L | A | -0.9978 | |
346 | T | A | -1.3260 | |
347 | N | A | -2.2153 | |
348 | L | A | 0.0000 | |
349 | N | A | -2.5179 | |
350 | K | A | -3.3331 | |
351 | K | A | -2.9670 | |
352 | M | A | -1.6105 | |
353 | G | A | -1.2307 | |
354 | S | A | -0.4762 | |
355 | Y | A | -0.2815 | |
356 | I | A | -0.3557 | |
357 | Y | A | 0.0364 | |
358 | I | A | 0.0000 | |
359 | D | A | -0.7043 | |
360 | T | A | 0.0000 | |
361 | I | A | 0.0000 | |
362 | K | A | -1.0302 | |
363 | F | A | 0.0000 | |
364 | I | A | 0.0000 | |
365 | H | A | 0.0000 | |
366 | K | A | -2.0015 | |
367 | E | A | 0.0000 | |
368 | M | A | 0.0000 | |
369 | K | A | -2.1104 | |
370 | H | A | -2.3089 | |
371 | I | A | 0.0000 | |
372 | F | A | -1.4221 | |
373 | N | A | -2.0998 | |
374 | R | A | -1.3115 | |
375 | I | A | 0.0000 | |
376 | E | A | -1.7200 | |
377 | Y | A | -0.5650 | |
378 | H | A | 0.0000 | |
379 | T | A | 0.0000 | |
380 | K | A | -1.8128 | |
381 | I | A | -0.9256 | |
382 | I | A | 0.0000 | |
383 | N | A | -2.1867 | |
384 | D | A | -2.6600 | |
385 | K | A | -1.8579 | |
386 | T | A | 0.0000 | |
387 | K | A | -2.7042 | |
388 | I | A | -1.6092 | |
389 | I | A | 0.0000 | |
390 | Q | A | -1.9187 | |
391 | D | A | -2.5651 | |
392 | K | A | -1.6991 | |
393 | I | A | 0.0000 | |
394 | K | A | -1.7695 | |
395 | L | A | -0.0971 | |
396 | N | A | 0.0000 | |
397 | I | A | 0.0000 | |
398 | W | A | -0.0661 | |
399 | R | A | -1.1494 | |
400 | T | A | -1.1115 | |
401 | F | A | 0.0000 | |
402 | Q | A | -2.7380 | |
403 | K | A | -2.9065 | |
404 | D | A | -3.3830 | |
405 | E | A | -2.8720 | |
406 | L | A | 0.0000 | |
407 | L | A | -1.9209 | |
408 | K | A | -2.6525 | |
409 | R | A | -1.8697 | |
410 | I | A | 0.0000 | |
411 | L | A | -1.0276 | |
412 | D | A | -2.1074 | |
413 | M | A | 0.0000 | |
414 | S | A | 0.0000 | |
415 | N | A | -1.2713 | |
416 | E | A | -0.9500 | |
417 | Y | A | 0.0000 | |
418 | S | A | 0.0000 | |
419 | L | A | 0.3192 | |
420 | F | A | 0.0000 | |
421 | I | A | 0.3313 | |
422 | T | A | 0.0000 | |
423 | S | A | 0.0000 | |
424 | D | A | 0.0000 | |
425 | H | A | -0.3601 | |
426 | L | A | 0.0000 | |
427 | R | A | 0.0000 | |
428 | Q | A | -0.7780 | |
429 | M | A | -0.8603 | |
430 | L | A | 0.0000 | |
431 | Y | A | -0.3592 | |
432 | N | A | -1.2955 | |
433 | T | A | 0.0000 | |
434 | F | A | 0.0000 | |
435 | Y | A | -0.7996 | |
436 | S | A | -1.8329 | |
437 | K | A | 0.0000 | |
438 | E | A | -1.4491 | |
439 | K | A | -2.5898 | |
440 | H | A | -2.0135 | |
441 | L | A | 0.0000 | |
442 | N | A | -2.2905 | |
443 | N | A | -2.5196 | |
444 | I | A | 0.0000 | |
445 | F | A | 0.0000 | |
446 | H | A | -0.4300 | |
447 | H | A | 0.2865 | |
448 | L | A | 0.0000 | |
449 | I | A | 1.6469 | |
450 | Y | A | 2.1628 | |
451 | V | A | 2.3587 | |
452 | L | A | 1.4338 | |
453 | Q | A | 0.4207 | |
454 | M | A | 0.5625 | |
1 | Q | B | -1.9864 | |
2 | V | B | -1.6067 | |
3 | Q | B | -1.9219 | |
4 | L | B | 0.0000 | |
5 | Q | B | -1.4824 | |
6 | E | B | 0.0000 | |
7 | S | B | -0.6475 | |
8 | G | B | -0.3395 | |
9 | P | B | 0.0719 | |
10 | G | B | 0.6623 | |
11 | L | B | 0.8783 | |
12 | V | B | 0.0000 | |
13 | K | B | -1.9610 | |
14 | P | B | -1.3339 | |
15 | S | B | -1.7590 | |
16 | E | B | -2.1612 | |
17 | T | B | -1.4510 | |
18 | L | B | 0.0000 | |
19 | S | B | -0.6169 | |
20 | L | B | 0.0000 | |
21 | T | B | -0.2971 | |
22 | C | B | 0.0000 | |
23 | T | B | -0.9802 | |
24 | V | B | 0.0000 | |
25 | S | B | -1.1563 | |
26 | G | B | -1.5376 | |
27 | G | B | -1.2854 | |
28 | P | B | -0.7595 | |
29 | I | B | 0.0000 | |
30 | S | B | -0.2983 | |
31 | S | B | -0.2900 | |
32 | Y | B | 0.0000 | |
33 | Y | B | 0.0000 | |
34 | W | B | 0.0000 | |
35 | N | B | 0.0000 | |
36 | W | B | 0.0000 | |
37 | I | B | 0.0000 | |
38 | R | B | 0.0000 | |
39 | Q | B | -0.6625 | |
40 | P | B | -0.7505 | |
41 | P | B | -0.8425 | |
42 | G | B | -1.5299 | |
43 | K | B | -2.2793 | |
44 | G | B | -1.4464 | |
45 | L | B | 0.0000 | |
46 | E | B | -0.7725 | |
47 | W | B | 0.0000 | |
48 | I | B | 0.0000 | |
49 | G | B | 0.0000 | |
50 | H | B | 0.0000 | |
51 | F | B | 0.0664 | |
52 | Y | B | 0.0000 | |
53 | H | B | 0.0000 | |
54 | S | B | -0.4331 | |
55 | G | B | -0.5631 | |
56 | S | B | -0.4018 | |
57 | T | B | -0.1738 | |
58 | N | B | -0.1790 | |
59 | Y | B | -0.3440 | |
60 | N | B | 0.0000 | |
61 | P | B | -0.9655 | |
62 | S | B | -0.9048 | |
63 | L | B | 0.0000 | |
64 | K | B | -1.9949 | |
65 | S | B | -1.2815 | |
66 | R | B | -1.1432 | |
67 | V | B | 0.0000 | |
68 | T | B | -0.5301 | |
69 | I | B | 0.0000 | |
70 | S | B | -0.0970 | |
71 | V | B | -0.3622 | |
72 | D | B | -1.2448 | |
73 | T | B | -1.1469 | |
74 | S | B | -1.3377 | |
75 | K | B | -2.1376 | |
76 | N | B | -1.3910 | |
77 | Q | B | 0.0000 | |
78 | F | B | 0.0000 | |
79 | Y | B | 0.0416 | |
80 | L | B | 0.0000 | |
81 | N | B | -0.5088 | |
82 | L | B | 0.0000 | |
83 | S | B | -0.9259 | |
84 | S | B | -0.7468 | |
85 | V | B | 0.0000 | |
86 | T | B | -0.5507 | |
87 | A | B | -0.2346 | |
88 | A | B | 0.0292 | |
89 | D | B | 0.0000 | |
90 | S | B | 0.3962 | |
91 | A | B | 0.0000 | |
92 | V | B | 0.8351 | |
93 | Y | B | 0.0000 | |
94 | F | B | 0.0000 | |
95 | C | B | 0.0000 | |
96 | A | B | 0.0000 | |
97 | R | B | 0.0000 | |
98 | Q | B | 0.0000 | |
99 | V | B | 0.0000 | |
100 | T | B | 0.0000 | |
101 | M | B | 0.1883 | |
102 | I | B | -0.0558 | |
103 | Q | B | 0.0000 | |
104 | G | B | 0.0000 | |
105 | L | B | 0.0407 | |
106 | I | B | 0.0000 | |
107 | D | B | -0.9195 | |
108 | S | B | -1.0377 | |
109 | W | B | 0.0000 | |
110 | G | B | 0.0000 | |
111 | Q | B | -1.9377 | |
112 | G | B | -0.4868 | |
113 | M | B | 0.4737 | |
114 | L | B | 1.7820 | |
115 | V | B | 0.0000 | |
116 | T | B | 0.5429 | |
117 | V | B | 0.0000 | |
118 | S | B | -0.4875 | |
133 | G | B | -0.9908 | |
134 | S | B | -1.0204 | |
135 | D | B | -1.4440 | |
136 | I | B | 0.0000 | |
137 | Q | B | -1.9574 | |
138 | M | B | 0.0000 | |
139 | T | B | -0.9819 | |
140 | Q | B | -0.6941 | |
141 | S | B | -0.6555 | |
142 | P | B | -0.6310 | |
143 | S | B | -0.8690 | |
144 | S | B | -1.2830 | |
145 | L | B | -1.0962 | |
146 | S | B | -1.4289 | |
147 | A | B | 0.0000 | |
148 | S | B | -0.6654 | |
149 | V | B | 0.1421 | |
150 | G | B | -0.7019 | |
151 | D | B | -1.4110 | |
152 | R | B | -2.1327 | |
153 | V | B | 0.0000 | |
154 | T | B | -0.4907 | |
155 | I | B | 0.0000 | |
156 | T | B | -0.7685 | |
157 | C | B | 0.0000 | |
158 | Q | B | -1.8631 | |
159 | A | B | 0.0000 | |
160 | S | B | -1.9624 | |
161 | Q | B | -2.8245 | |
162 | D | B | -3.3458 | |
163 | I | B | 0.0000 | |
164 | N | B | -2.7404 | |
165 | N | B | -2.2724 | |
166 | S | B | 0.0000 | |
167 | L | B | 0.0000 | |
168 | N | B | 0.0000 | |
169 | W | B | 0.0000 | |
170 | Y | B | 0.0000 | |
171 | Q | B | 0.0000 | |
172 | Q | B | -1.3469 | |
173 | K | B | -1.6518 | |
174 | P | B | -1.2707 | |
175 | G | B | -1.7260 | |
176 | K | B | -2.5940 | |
177 | A | B | -1.7878 | |
178 | L | B | 0.0000 | |
179 | K | B | -1.4461 | |
180 | L | B | 0.0000 | |
181 | L | B | 0.0000 | |
182 | I | B | 0.0000 | |
183 | Y | B | -0.3364 | |
184 | D | B | -0.9611 | |
185 | V | B | 0.0000 | |
186 | S | B | -1.1833 | |
187 | N | B | -0.6032 | |
188 | L | B | -0.1583 | |
189 | E | B | -0.6434 | |
190 | T | B | -0.5301 | |
191 | G | B | -0.4821 | |
192 | V | B | -0.2705 | |
193 | P | B | -0.3226 | |
194 | S | B | -0.3896 | |
195 | R | B | -0.7270 | |
196 | F | B | 0.0000 | |
197 | S | B | -0.6203 | |
198 | G | B | 0.0000 | |
199 | E | B | -2.4379 | |
200 | G | B | -2.1457 | |
201 | S | B | -2.1634 | |
202 | G | B | -2.3171 | |
203 | T | B | -2.3961 | |
204 | D | B | -2.6072 | |
205 | F | B | 0.0000 | |
206 | S | B | -1.1570 | |
207 | L | B | 0.0000 | |
208 | I | B | -0.5670 | |
209 | I | B | 0.0000 | |
210 | S | B | -1.1916 | |
211 | S | B | -1.0694 | |
212 | L | B | 0.0000 | |
213 | Q | B | -0.5829 | |
214 | P | B | -0.6937 | |
215 | E | B | -1.2070 | |
216 | D | B | 0.0000 | |
217 | I | B | -0.9639 | |
218 | A | B | 0.0000 | |
219 | T | B | 0.0000 | |
220 | Y | B | 0.0000 | |
221 | Y | B | 0.0000 | |
222 | C | B | 0.0000 | |
223 | Q | B | 0.0000 | |
224 | Q | B | 0.0000 | |
225 | Y | B | 0.0000 | |
226 | E | B | -1.5828 | |
227 | A | B | -0.3208 | |
228 | L | B | 0.4841 | |
229 | P | B | 0.0000 | |
230 | L | B | 0.0000 | |
231 | T | B | -0.5389 | |
232 | F | B | 0.0000 | |
233 | G | B | 0.0000 | |
234 | G | B | -1.4153 | |
235 | G | B | 0.0000 | |
236 | T | B | 0.0000 | |
237 | K | B | -2.2861 | |
238 | V | B | 0.0000 | |
239 | E | B | -2.0493 | |
240 | I | B | -0.7874 | |
241 | K | B | -1.6385 | |
156 | N | C | -1.5577 | |
157 | I | C | -0.8765 | |
158 | A | C | -1.4434 | |
159 | N | C | -1.4233 | |
160 | S | C | -0.6322 | |
161 | I | C | 0.0260 | |
162 | D | C | 0.0000 | |
163 | I | C | -0.0390 | |
164 | L | C | 0.0000 | |
165 | Q | C | 0.0000 | |
166 | E | C | -2.2769 | |
167 | K | C | -3.2863 | |
168 | E | C | -3.6502 | |
169 | G | C | -2.5913 | |
170 | H | C | -2.8889 | |
171 | L | C | 0.0000 | |
172 | D | C | -1.3997 | |
173 | F | C | 0.0000 | |
174 | V | C | 0.2311 | |
175 | I | C | 0.0000 | |
176 | I | C | 0.4926 | |
177 | P | C | 0.3487 | |
178 | H | C | 0.0000 | |
179 | Y | C | 0.7978 | |
180 | T | C | 0.5723 | |
181 | F | C | 0.7063 | |
182 | L | C | 0.3328 | |
183 | D | C | 0.0000 | |
184 | Y | C | -0.0366 | |
185 | Y | C | 0.0000 | |
186 | K | C | -0.4263 | |
187 | H | C | 0.0000 | |
188 | L | C | 0.0000 | |
189 | S | C | 0.0000 | |
190 | Y | C | 0.0000 | |
191 | N | C | 0.0000 | |
192 | S | C | 0.0000 | |
193 | I | C | 0.0000 | |
194 | Y | C | 0.0000 | |
195 | H | C | 0.0000 | |
196 | K | C | -1.0613 | |
197 | S | C | -0.6953 | |
198 | S | C | -0.5985 | |
199 | T | C | -0.4066 | |
200 | Y | C | 0.2013 | |
201 | G | C | 0.1295 | |
202 | K | C | 0.2233 | |
203 | Y | C | 1.3375 | |
204 | I | C | 1.9582 | |
205 | A | C | 0.5591 | |
206 | V | C | 0.0000 | |
207 | D | C | -0.0649 | |
208 | A | C | -0.2744 | |
209 | F | C | 0.0000 | |
210 | I | C | -1.4677 | |
211 | K | C | -2.8035 | |
212 | K | C | -2.2703 | |
213 | I | C | 0.0000 | |
214 | N | C | -3.4709 | |
215 | E | C | -4.0020 | |
216 | A | C | -2.8221 | |
217 | Y | C | -2.9278 | |
218 | D | C | -3.9071 | |
219 | K | C | -3.8135 | |
220 | V | C | 0.0000 | |
221 | K | C | -2.7037 | |
222 | S | C | -2.8009 | |
223 | K | C | -3.1177 | |
224 | C | C | 0.0000 | |
225 | N | C | -3.1958 | |
226 | D | C | -3.3006 | |
227 | I | C | -2.7692 | |
228 | K | C | -2.7766 | |
229 | N | C | -3.0118 | |
230 | D | C | -2.7011 | |
231 | L | C | 0.0000 | |
232 | I | C | -2.1792 | |
233 | A | C | -1.7973 | |
234 | T | C | 0.0000 | |
235 | I | C | 0.0000 | |
236 | K | C | -3.2494 | |
237 | K | C | -2.7307 | |
238 | L | C | 0.0000 | |
239 | E | C | 0.0000 | |
240 | H | C | -2.0503 | |
241 | P | C | -0.6471 | |
252 | K | C | -3.0615 | |
253 | K | C | -3.0753 | |
254 | M | C | -2.1743 | |
255 | M | C | -2.5676 | |
256 | D | C | -3.4673 | |
257 | E | C | -2.9479 | |
258 | Y | C | 0.0000 | |
259 | N | C | -2.8600 | |
260 | T | C | -2.5520 | |
261 | K | C | -2.8026 | |
262 | K | C | -2.5570 | |
263 | K | C | -3.3509 | |
264 | K | C | -3.1262 | |
265 | L | C | 0.0000 | |
266 | I | C | -2.0064 | |
267 | K | C | -3.1042 | |
268 | C | C | 0.0000 | |
269 | I | C | 0.0000 | |
270 | K | C | -2.4372 | |
271 | N | C | -2.5690 | |
272 | H | C | -2.5917 | |
273 | E | C | -2.6481 | |
274 | N | C | -2.8968 | |
275 | D | C | -2.8966 | |
276 | F | C | 0.0000 | |
277 | N | C | -1.7750 | |
278 | K | C | -1.7968 | |
279 | I | C | 0.0000 | |
280 | C | C | 0.0000 | |
281 | M | C | -0.2376 | |
282 | D | C | 0.0000 | |
283 | M | C | 0.0000 | |
284 | K | C | -0.5156 | |
285 | N | C | 0.0000 | |
286 | Y | C | -0.0777 | |
287 | G | C | 0.0000 | |
288 | T | C | -0.7450 | |
289 | N | C | -0.9618 | |
290 | L | C | 0.0000 | |
291 | F | C | -0.8430 | |
292 | E | C | -2.1439 | |
293 | Q | C | -2.1328 | |
294 | L | C | 0.0000 | |
295 | S | C | -0.8303 | |
296 | C | C | -0.1500 | |
297 | Y | C | 0.8346 | |
298 | N | C | -0.5259 | |
299 | N | C | -1.9273 | |
300 | N | C | -1.4662 | |
301 | F | C | 0.0767 | |
302 | C | C | 0.0000 | |
303 | N | C | -1.2881 | |
304 | T | C | 0.0000 | |
305 | N | C | -0.9374 | |
306 | G | C | 0.0000 | |
307 | I | C | 0.0000 | |
308 | R | C | -1.0876 | |
309 | Y | C | -0.8412 | |
310 | H | C | 0.0000 | |
311 | Y | C | 0.0000 | |
312 | D | C | -2.7921 | |
313 | E | C | -2.4868 | |
314 | Y | C | -1.2528 | |
315 | I | C | 0.0000 | |
316 | H | C | -1.6065 | |
317 | K | C | -1.9260 | |
318 | L | C | -0.4750 | |
319 | I | C | 0.0000 | |
320 | L | C | -0.0342 | |
321 | S | C | -0.7604 | |
322 | V | C | 0.0000 | |
323 | K | C | -2.0906 | |
324 | S | C | -1.3586 | |
325 | K | C | -2.4041 | |
326 | N | C | -3.0957 | |
327 | L | C | 0.0000 | |
328 | N | C | -3.0851 | |
329 | K | C | -3.0109 | |
330 | D | C | -2.2481 | |
331 | L | C | -1.7266 | |
332 | S | C | -1.5377 | |
333 | D | C | -1.6550 | |
334 | M | C | 0.0000 | |
335 | T | C | -1.3751 | |
336 | N | C | -2.0523 | |
337 | I | C | -1.1587 | |
338 | L | C | 0.0000 | |
339 | Q | C | -1.8150 | |
340 | Q | C | -1.6303 | |
341 | S | C | 0.0000 | |
342 | E | C | -1.2473 | |
343 | L | C | 0.0675 | |
344 | L | C | -0.3061 | |
345 | L | C | -0.7971 | |
346 | T | C | -0.9858 | |
347 | N | C | -1.6985 | |
348 | L | C | -0.9439 | |
349 | N | C | -2.1181 | |
350 | K | C | -2.5702 | |
356 | I | C | 1.9987 | |
357 | Y | C | 0.8560 | |
358 | I | C | 0.2733 | |
359 | D | C | -0.7749 | |
360 | T | C | 0.0000 | |
361 | I | C | 0.0000 | |
362 | K | C | -1.6235 | |
363 | F | C | 0.0000 | |
364 | I | C | 0.0000 | |
365 | H | C | 0.0000 | |
366 | K | C | -2.5191 | |
367 | E | C | -1.8251 | |
368 | M | C | 0.0000 | |
369 | K | C | -2.2359 | |
370 | H | C | -2.4229 | |
371 | I | C | 0.0000 | |
372 | F | C | -1.3636 | |
373 | N | C | -1.9666 | |
374 | R | C | -1.2349 | |
375 | I | C | 0.0000 | |
376 | E | C | -1.5023 | |
377 | Y | C | -0.3704 | |
378 | H | C | 0.0000 | |
379 | T | C | 0.0000 | |
380 | K | C | -2.3228 | |
381 | I | C | -1.1861 | |
382 | I | C | 0.0000 | |
383 | N | C | -2.6902 | |
384 | D | C | -2.9029 | |
385 | K | C | -1.9364 | |
386 | T | C | -1.7843 | |
387 | K | C | -2.7064 | |
388 | I | C | -1.5734 | |
389 | I | C | 0.0000 | |
390 | Q | C | -1.8241 | |
391 | D | C | -2.4370 | |
392 | K | C | -1.6519 | |
393 | I | C | 0.0000 | |
394 | K | C | -1.6724 | |
395 | L | C | -0.0344 | |
396 | N | C | 0.0000 | |
397 | I | C | -0.1656 | |
398 | W | C | 0.1574 | |
399 | R | C | -0.9514 | |
400 | T | C | -0.9298 | |
401 | F | C | 0.0000 | |
402 | Q | C | -2.1367 | |
403 | K | C | -2.6772 | |
404 | D | C | -3.2964 | |
405 | E | C | -2.8517 | |
406 | L | C | 0.0000 | |
407 | L | C | -1.9528 | |
408 | K | C | -2.7721 | |
409 | R | C | -1.9817 | |
410 | I | C | 0.0000 | |
411 | L | C | -1.1695 | |
412 | D | C | -2.1316 | |
413 | M | C | 0.0000 | |
414 | S | C | 0.0000 | |
415 | N | C | -1.2610 | |
416 | E | C | -0.9318 | |
417 | Y | C | 0.0000 | |
418 | S | C | 0.0000 | |
419 | L | C | 0.3147 | |
420 | F | C | 0.0000 | |
421 | I | C | 0.2718 | |
422 | T | C | 0.0000 | |
423 | S | C | 0.0000 | |
424 | D | C | -0.3045 | |
425 | H | C | -0.4400 | |
426 | L | C | 0.0000 | |
427 | R | C | 0.0000 | |
428 | Q | C | -0.6598 | |
429 | M | C | -0.6980 | |
430 | L | C | 0.0000 | |
431 | Y | C | -0.1828 | |
432 | N | C | -0.8494 | |
433 | T | C | 0.0000 | |
434 | F | C | 0.0000 | |
435 | Y | C | -0.5483 | |
436 | S | C | -1.6339 | |
437 | K | C | 0.0000 | |
438 | E | C | 0.0000 | |
439 | K | C | -2.5109 | |
440 | H | C | -2.0768 | |
441 | L | C | 0.0000 | |
442 | N | C | -2.2111 | |
443 | N | C | -2.5053 | |
444 | I | C | 0.0000 | |
445 | F | C | 0.0000 | |
446 | H | C | -0.3514 | |
447 | H | C | 0.5442 | |
448 | L | C | 1.2513 | |
449 | I | C | 1.9767 | |
450 | Y | C | 2.3747 | |
451 | V | C | 2.7180 | |
452 | L | C | 2.2711 | |
453 | Q | C | 0.8577 | |
1 | Q | D | -1.9324 | |
2 | V | D | -1.5646 | |
3 | Q | D | -1.9480 | |
4 | L | D | 0.0000 | |
5 | Q | D | -1.6665 | |
6 | E | D | 0.0000 | |
7 | S | D | -0.6887 | |
8 | G | D | -0.3367 | |
9 | P | D | 0.0956 | |
10 | G | D | 0.6996 | |
11 | L | D | 1.0663 | |
12 | V | D | 0.0000 | |
13 | K | D | -1.9399 | |
14 | P | D | -1.3447 | |
15 | S | D | -1.3451 | |
16 | E | D | -2.0197 | |
17 | T | D | -1.1693 | |
18 | L | D | 0.0000 | |
19 | S | D | -0.5909 | |
20 | L | D | 0.0000 | |
21 | T | D | -0.3818 | |
22 | C | D | 0.0000 | |
23 | T | D | -1.0837 | |
24 | V | D | 0.0000 | |
25 | S | D | -1.1893 | |
26 | G | D | -1.5010 | |
27 | G | D | -1.2500 | |
28 | P | D | -0.7795 | |
29 | I | D | 0.0000 | |
30 | S | D | -0.2994 | |
31 | S | D | -0.2901 | |
32 | Y | D | 0.0000 | |
33 | Y | D | 0.0000 | |
34 | W | D | 0.0000 | |
35 | N | D | 0.0000 | |
36 | W | D | 0.0000 | |
37 | I | D | 0.0000 | |
38 | R | D | 0.0000 | |
39 | Q | D | -0.6398 | |
40 | P | D | -0.7401 | |
41 | P | D | -0.8390 | |
42 | G | D | -1.5271 | |
43 | K | D | -2.2760 | |
44 | G | D | -1.4445 | |
45 | L | D | 0.0000 | |
46 | E | D | -0.7896 | |
47 | W | D | 0.0000 | |
48 | I | D | 0.0000 | |
49 | G | D | 0.0000 | |
50 | H | D | 0.0000 | |
51 | F | D | 0.0703 | |
52 | Y | D | 0.0000 | |
53 | H | D | 0.0000 | |
54 | S | D | -0.4138 | |
55 | G | D | -0.5680 | |
56 | S | D | -0.4032 | |
57 | T | D | -0.1533 | |
58 | N | D | -0.1275 | |
59 | Y | D | -0.2470 | |
60 | N | D | 0.0000 | |
61 | P | D | -0.9424 | |
62 | S | D | -1.1346 | |
63 | L | D | 0.0000 | |
64 | K | D | -1.9754 | |
65 | S | D | 0.0000 | |
66 | R | D | 0.0000 | |
67 | V | D | 0.0000 | |
68 | T | D | -0.4565 | |
69 | I | D | 0.0000 | |
70 | S | D | -0.0883 | |
71 | V | D | -0.2541 | |
72 | D | D | -0.9511 | |
73 | T | D | -1.0192 | |
74 | S | D | -1.2605 | |
75 | K | D | -2.0891 | |
76 | N | D | -1.3863 | |
77 | Q | D | -1.0670 | |
78 | F | D | 0.0000 | |
79 | Y | D | 0.0346 | |
80 | L | D | 0.0000 | |
81 | N | D | -0.4191 | |
82 | L | D | 0.0000 | |
83 | S | D | -0.6169 | |
84 | S | D | -1.1192 | |
85 | V | D | 0.0000 | |
86 | T | D | -0.6184 | |
87 | A | D | -0.2670 | |
88 | A | D | 0.0135 | |
89 | D | D | 0.0000 | |
90 | S | D | 0.3999 | |
91 | A | D | 0.0000 | |
92 | V | D | 0.8487 | |
93 | Y | D | 0.0000 | |
94 | F | D | 0.0000 | |
95 | C | D | 0.0000 | |
96 | A | D | 0.0000 | |
97 | R | D | 0.0000 | |
98 | Q | D | 0.0000 | |
99 | V | D | 0.0000 | |
100 | T | D | 0.0000 | |
101 | M | D | 0.2158 | |
102 | I | D | -0.0726 | |
103 | Q | D | 0.0000 | |
104 | G | D | 0.0000 | |
105 | L | D | -0.0159 | |
106 | I | D | 0.0000 | |
107 | D | D | -1.2936 | |
108 | S | D | -1.2892 | |
109 | W | D | 0.0000 | |
110 | G | D | 0.0000 | |
111 | Q | D | -1.9506 | |
112 | G | D | 0.0000 | |
113 | M | D | 0.4578 | |
114 | L | D | 1.8021 | |
115 | V | D | 0.0000 | |
116 | T | D | 0.5439 | |
117 | V | D | 0.0000 | |
118 | S | D | -0.4865 | |
135 | D | D | -2.1877 | |
136 | I | D | 0.0000 | |
137 | Q | D | -2.1195 | |
138 | M | D | 0.0000 | |
139 | T | D | -0.9019 | |
140 | Q | D | -0.6636 | |
141 | S | D | -0.5963 | |
142 | P | D | -0.5687 | |
143 | S | D | -0.7687 | |
144 | S | D | -1.0119 | |
145 | L | D | -0.8306 | |
146 | S | D | -1.1555 | |
147 | A | D | 0.0000 | |
148 | S | D | -0.6454 | |
149 | V | D | 0.1341 | |
150 | G | D | -0.6190 | |
151 | D | D | -1.4616 | |
152 | R | D | -2.1596 | |
153 | V | D | 0.0000 | |
154 | T | D | -0.4879 | |
155 | I | D | 0.0000 | |
156 | T | D | -0.6930 | |
157 | C | D | 0.0000 | |
158 | Q | D | -1.6577 | |
159 | A | D | 0.0000 | |
160 | S | D | -2.0187 | |
161 | Q | D | -3.0110 | |
162 | D | D | -3.2542 | |
163 | I | D | 0.0000 | |
164 | N | D | -2.5510 | |
165 | N | D | -2.2271 | |
166 | S | D | 0.0000 | |
167 | L | D | 0.0000 | |
168 | N | D | 0.0000 | |
169 | W | D | 0.0000 | |
170 | Y | D | 0.0000 | |
171 | Q | D | -1.2074 | |
172 | Q | D | -1.6128 | |
173 | K | D | -1.9312 | |
174 | P | D | -1.3822 | |
175 | G | D | -1.7350 | |
176 | K | D | -2.7169 | |
177 | A | D | -2.0124 | |
178 | L | D | 0.0000 | |
179 | K | D | -2.3626 | |
180 | L | D | 0.0000 | |
181 | L | D | 0.0000 | |
182 | I | D | 0.0000 | |
183 | Y | D | -0.2966 | |
184 | D | D | -0.9410 | |
185 | V | D | 0.0000 | |
186 | S | D | -1.2118 | |
187 | N | D | -0.6000 | |
188 | L | D | -0.2022 | |
189 | E | D | -0.9227 | |
190 | T | D | -0.5964 | |
191 | G | D | -0.4936 | |
192 | V | D | -0.2486 | |
193 | P | D | -0.3155 | |
194 | S | D | -0.3826 | |
195 | R | D | -0.7088 | |
196 | F | D | 0.0000 | |
197 | S | D | -0.5981 | |
198 | G | D | 0.0000 | |
199 | E | D | -2.4100 | |
200 | G | D | -2.0637 | |
201 | S | D | -2.0462 | |
202 | G | D | -2.1758 | |
203 | T | D | -2.2248 | |
204 | D | D | -2.4432 | |
205 | F | D | 0.0000 | |
206 | S | D | -1.0865 | |
207 | L | D | 0.0000 | |
208 | I | D | -0.5264 | |
209 | I | D | 0.0000 | |
210 | S | D | -1.1916 | |
211 | S | D | -1.0238 | |
212 | L | D | 0.0000 | |
213 | Q | D | -0.6520 | |
214 | P | D | -0.8568 | |
215 | E | D | -1.7257 | |
216 | D | D | 0.0000 | |
217 | I | D | -0.9510 | |
218 | A | D | 0.0000 | |
219 | T | D | -0.9436 | |
220 | Y | D | 0.0000 | |
221 | Y | D | 0.0000 | |
222 | C | D | 0.0000 | |
223 | Q | D | 0.0000 | |
224 | Q | D | 0.0000 | |
225 | Y | D | 0.0000 | |
226 | E | D | -1.5872 | |
227 | A | D | -0.4580 | |
228 | L | D | 0.3517 | |
229 | P | D | 0.0000 | |
230 | L | D | 0.0000 | |
231 | T | D | -0.7253 | |
232 | F | D | 0.0000 | |
233 | G | D | 0.0000 | |
234 | G | D | -1.3673 | |
235 | G | D | 0.0000 | |
236 | T | D | 0.0000 | |
237 | K | D | -1.7435 | |
238 | V | D | 0.0000 | |
239 | E | D | -1.3963 | |
240 | I | D | -0.6336 | |
241 | K | D | -1.5207 |
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 | -0.8668 | 3.2858 | View | CSV | PDB |
4.5 | -0.913 | 3.2487 | View | CSV | PDB |
5.0 | -0.9645 | 3.2064 | View | CSV | PDB |
5.5 | -1.0071 | 3.162 | View | CSV | PDB |
6.0 | -1.0261 | 3.1169 | View | CSV | PDB |
6.5 | -1.0143 | 3.0717 | View | CSV | PDB |
7.0 | -0.976 | 3.0508 | View | CSV | PDB |
7.5 | -0.9215 | 3.0566 | View | CSV | PDB |
8.0 | -0.8582 | 3.0718 | View | CSV | PDB |
8.5 | -0.7879 | 3.0908 | View | CSV | PDB |
9.0 | -0.71 | 3.114 | View | CSV | PDB |