Chain sequence(s) |
X: LVPRGSASMSDSEVNQEAKPEVKPEVKPETHINLKVSDGSSEIFFKIKKTTPLRRLMEAFAKRQGKEMDSLRFLYDGIRIQADQTPEDLDMEDNDIIEAHREQIGGNNISFDSTSQGEKPSYVVEFTNSTNIGIKWTMVKKYQLDVPNVSSDMNQVLKNLILEQPLTKYTLNSSLAKEKGKTQREVHLGSGQANQWTSQRNQHDLNNNPSPNASTGFKLTTGNAYRKLSESWPIYEPIDGTKQGKGKDSSGWSSTEENEAKNDAPSVSGGGSSSGTFNKYLNTKQALESIGILFDDQTPRNVITQLYYASTSKLAVTNNHIVVMGNSFLPSMWYWVVERSAQENASNKPTWFANTNLDWGEDKQKQFVENQLGYKETTSTNSHNFHSKSFTQPAYLISGIDSVNDQIIFSGFKAGSVGYDSSSSSSSSSSSSTKDQALAWSTTTSLDSKTGYKDLVTNDTGLNGPINGSFSIQDTFSFVVPYSGNHTNNGTTGPIKTAYPVKKDQKSTVKINSLINATPLNSYGDEGIGVFDALGLNYNFKSNQERLPSRTDQIFVYGIVSPNELRSAKSSADSTGSDTKVNWSNTQSRYLPVPYNYSEGIIDADGFKRPENRGASVTTFSG
input PDB |
Selected Chain(s) | X |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | Yes |
Automated mutations | No |
Downloads | Download all the data |
Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:01:03) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:01:03) [INFO] runJob: Starting aggrescan3d job on: input.pdb with X chain(s) selected (00:01:03) [INFO] runJob: Creating pdb object from: input.pdb (00:01:03) [INFO] FoldX: Starting FoldX energy minimalization (00:01:03) [INFO] CABS: Running CABS flex simulation (00:12:24) [INFO] Analysis: Starting Aggrescan3D on model_7.pdb (02:10:48) [INFO] Analysis: Starting Aggrescan3D on model_11.pdb (02:10:54) [INFO] Analysis: Starting Aggrescan3D on model_10.pdb (02:10:59) [INFO] Analysis: Starting Aggrescan3D on model_8.pdb (02:11:04) [INFO] Analysis: Starting Aggrescan3D on model_2.pdb (02:11:09) [INFO] Analysis: Starting Aggrescan3D on model_1.pdb (02:11:14) [INFO] Analysis: Starting Aggrescan3D on model_6.pdb (02:11:20) [INFO] Analysis: Starting Aggrescan3D on model_3.pdb (02:11:25) [INFO] Analysis: Starting Aggrescan3D on model_4.pdb (02:11:30) [INFO] Analysis: Starting Aggrescan3D on model_9.pdb (02:11:35) [INFO] Analysis: Starting Aggrescan3D on model_5.pdb (02:11:40) [INFO] Analysis: Starting Aggrescan3D on model_0.pdb (02:11:46) [INFO] Analysis: Starting Aggrescan3D on input.pdb (02:11:51) [WARNING] CABS: Pymol failed to launch (most likely not present on the system).Couldn't create a superimposed picture of CABS input and output (02:11:56) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (02:11:57) [CRITICAL] pyMol: Pymol encountered an error: /bin/sh: pymol: command not found Movie creation failed. (02:11:57) [INFO] Main: Simulation completed successfully. (02:12:02) |
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
residue index | residue name | chain | Aggrescan3D score | mutation |
---|---|---|---|---|
residue index | residue name | chain | Aggrescan3D score | |
14 | L | X | 1.7948 | |
15 | V | X | 0.8709 | |
16 | P | X | 0.1880 | |
17 | R | X | -0.9540 | |
18 | G | X | 0.0000 | |
19 | S | X | -0.8622 | |
20 | A | X | 0.0000 | |
21 | S | X | -0.6971 | |
22 | M | X | -0.0353 | |
23 | S | X | -0.7529 | |
24 | D | X | -1.4920 | |
25 | S | X | -1.3867 | |
26 | E | X | -1.8504 | |
27 | V | X | -0.2642 | |
28 | N | X | -1.3022 | |
29 | Q | X | -1.8688 | |
30 | E | X | -1.6381 | |
31 | A | X | -0.7699 | |
32 | K | X | -0.1119 | |
33 | P | X | 0.6623 | |
34 | E | X | 0.7999 | |
35 | V | X | 2.3034 | |
36 | K | X | 0.0000 | |
37 | P | X | 0.5096 | |
38 | E | X | -0.2383 | |
39 | V | X | 0.3098 | |
40 | K | X | -1.1313 | |
41 | P | X | -1.1750 | |
42 | E | X | -1.8630 | |
43 | T | X | -1.8790 | |
44 | H | X | -2.0695 | |
45 | I | X | 0.0000 | |
46 | N | X | -1.5581 | |
47 | L | X | 0.0000 | |
48 | K | X | -0.7994 | |
49 | V | X | 0.0000 | |
50 | S | X | 0.0000 | |
51 | D | X | -1.3807 | |
52 | G | X | -1.3085 | |
53 | S | X | -1.1333 | |
54 | S | X | 0.0000 | |
55 | E | X | -2.3966 | |
56 | I | X | 0.0000 | |
57 | F | X | -0.4808 | |
58 | F | X | -0.8236 | |
59 | K | X | -2.0266 | |
60 | I | X | -1.7676 | |
61 | K | X | -2.5114 | |
62 | K | X | -1.9115 | |
63 | T | X | 0.0000 | |
64 | T | X | -0.8005 | |
65 | P | X | -0.3633 | |
66 | L | X | 0.0000 | |
67 | R | X | 0.0000 | |
68 | R | X | -0.5531 | |
69 | L | X | 0.0000 | |
70 | M | X | 0.0000 | |
71 | E | X | 0.0000 | |
72 | A | X | 0.0000 | |
73 | F | X | 0.0000 | |
74 | A | X | 0.0000 | |
75 | K | X | 0.0000 | |
76 | R | X | 0.0000 | |
77 | Q | X | 0.0000 | |
78 | G | X | 0.0000 | |
79 | K | X | 0.0000 | |
80 | E | X | 0.0000 | |
81 | M | X | 0.0000 | |
82 | D | X | 0.0000 | |
83 | S | X | 0.0000 | |
84 | L | X | 0.0000 | |
85 | R | X | 0.0000 | |
86 | F | X | 0.0000 | |
87 | L | X | 0.0000 | |
88 | Y | X | 0.0000 | |
89 | D | X | 0.0000 | |
90 | G | X | 0.0000 | |
91 | I | X | 0.0000 | |
92 | R | X | -0.2857 | |
93 | I | X | 0.0000 | |
94 | Q | X | 0.0000 | |
95 | A | X | 0.0000 | |
96 | D | X | 0.0000 | |
97 | Q | X | 0.0000 | |
98 | T | X | -0.4918 | |
99 | P | X | 0.0000 | |
100 | E | X | -1.4870 | |
101 | D | X | -0.8067 | |
102 | L | X | 0.0000 | |
103 | D | X | -0.8078 | |
104 | M | X | 0.0000 | |
105 | E | X | 0.0000 | |
106 | D | X | -1.4590 | |
107 | N | X | -1.2499 | |
108 | D | X | 0.0000 | |
109 | I | X | 0.0000 | |
110 | I | X | 0.0000 | |
111 | E | X | 0.0000 | |
112 | A | X | 0.0000 | |
113 | H | X | -0.9450 | |
114 | R | X | -1.6222 | |
115 | E | X | -1.6412 | |
116 | Q | X | -1.6755 | |
117 | I | X | -0.8052 | |
118 | G | X | -1.0429 | |
119 | G | X | -1.3782 | |
120 | N | X | -1.5177 | |
121 | N | X | -1.2403 | |
122 | I | X | 0.0000 | |
123 | S | X | -0.2162 | |
124 | F | X | 0.2840 | |
125 | D | X | -0.4272 | |
126 | S | X | -0.4894 | |
127 | T | X | -0.6621 | |
128 | S | X | -0.6808 | |
129 | Q | X | -0.9023 | |
130 | G | X | 0.0000 | |
131 | E | X | -0.3915 | |
132 | K | X | 0.0000 | |
133 | P | X | 0.0000 | |
134 | S | X | 0.0000 | |
135 | Y | X | 0.0000 | |
136 | V | X | 0.0000 | |
137 | V | X | -0.6386 | |
138 | E | X | -0.3980 | |
139 | F | X | 0.5487 | |
140 | T | X | -0.2124 | |
141 | N | X | -1.2956 | |
142 | S | X | -0.7156 | |
143 | T | X | -0.5660 | |
144 | N | X | -0.3041 | |
145 | I | X | 1.7817 | |
146 | G | X | 1.0908 | |
147 | I | X | 2.4192 | |
148 | K | X | 0.9007 | |
149 | W | X | 0.6594 | |
150 | T | X | 0.7021 | |
151 | M | X | 1.2024 | |
152 | V | X | 0.1208 | |
153 | K | X | -1.5251 | |
154 | K | X | -1.6768 | |
155 | Y | X | 0.0000 | |
156 | Q | X | 0.0000 | |
157 | L | X | 0.0000 | |
158 | D | X | 0.0000 | |
159 | V | X | 0.0000 | |
160 | P | X | 0.0000 | |
161 | N | X | 0.0000 | |
162 | V | X | 0.0000 | |
163 | S | X | 0.0000 | |
164 | S | X | -1.4154 | |
165 | D | X | -1.9025 | |
166 | M | X | 0.0000 | |
167 | N | X | 0.0000 | |
168 | Q | X | -1.1730 | |
169 | V | X | 0.0000 | |
170 | L | X | 0.0000 | |
171 | K | X | -1.2045 | |
172 | N | X | -0.8074 | |
173 | L | X | 0.0000 | |
174 | I | X | 0.0000 | |
175 | L | X | 0.0000 | |
176 | E | X | 0.0000 | |
177 | Q | X | 0.0000 | |
178 | P | X | 0.0000 | |
179 | L | X | 0.0000 | |
180 | T | X | 0.0000 | |
181 | K | X | -0.9772 | |
182 | Y | X | 0.0000 | |
183 | T | X | 0.0000 | |
184 | L | X | 0.0000 | |
185 | N | X | 0.0000 | |
186 | S | X | -0.0809 | |
187 | S | X | 0.0000 | |
188 | L | X | 0.0000 | |
189 | A | X | 0.0000 | |
190 | K | X | 0.0000 | |
191 | E | X | -0.9760 | |
192 | K | X | -0.8242 | |
193 | G | X | 0.0000 | |
194 | K | X | 0.0000 | |
195 | T | X | 0.0000 | |
196 | Q | X | 0.0000 | |
197 | R | X | -0.6586 | |
198 | E | X | -0.4858 | |
199 | V | X | 0.0000 | |
200 | H | X | 0.0000 | |
201 | L | X | 0.1794 | |
202 | G | X | -0.7162 | |
203 | S | X | -0.9707 | |
204 | G | X | -1.3640 | |
205 | Q | X | -1.6880 | |
206 | A | X | -1.2483 | |
207 | N | X | -1.6690 | |
208 | Q | X | 0.0000 | |
209 | W | X | 0.0000 | |
210 | T | X | -0.9985 | |
211 | S | X | -1.1835 | |
212 | Q | X | -1.8982 | |
213 | R | X | -2.0486 | |
214 | N | X | -2.6882 | |
215 | Q | X | -2.6648 | |
216 | H | X | -2.5716 | |
217 | D | X | -2.9031 | |
218 | L | X | -2.3878 | |
219 | N | X | -2.3562 | |
220 | N | X | -1.6173 | |
221 | N | X | -1.0494 | |
222 | P | X | -0.5742 | |
223 | S | X | -0.3481 | |
224 | P | X | -0.5456 | |
225 | N | X | 0.0000 | |
226 | A | X | 0.0000 | |
227 | S | X | 0.0000 | |
228 | T | X | 0.0000 | |
229 | G | X | 0.0000 | |
230 | F | X | 0.0000 | |
231 | K | X | -1.2819 | |
232 | L | X | 0.0000 | |
233 | T | X | 0.0000 | |
234 | T | X | 0.0000 | |
235 | G | X | 0.0000 | |
236 | N | X | 0.0000 | |
237 | A | X | 0.0000 | |
238 | Y | X | 0.0000 | |
239 | R | X | 0.0000 | |
240 | K | X | -0.9391 | |
241 | L | X | 0.0000 | |
242 | S | X | -1.0689 | |
243 | E | X | -1.2185 | |
244 | S | X | 0.0000 | |
245 | W | X | 0.0000 | |
246 | P | X | 0.0000 | |
247 | I | X | 0.0000 | |
248 | Y | X | 0.0000 | |
249 | E | X | 0.0000 | |
250 | P | X | 0.0000 | |
251 | I | X | 0.0000 | |
252 | D | X | -1.5909 | |
253 | G | X | -1.4124 | |
254 | T | X | -1.2884 | |
255 | K | X | -2.6078 | |
256 | Q | X | -2.5285 | |
257 | G | X | -2.2205 | |
258 | K | X | -2.4640 | |
259 | G | X | -1.4657 | |
260 | K | X | 0.0000 | |
261 | D | X | -1.6351 | |
262 | S | X | -0.8951 | |
263 | S | X | -0.6892 | |
264 | G | X | 0.0000 | |
265 | W | X | 0.0000 | |
266 | S | X | -0.6774 | |
267 | S | X | -0.6272 | |
268 | T | X | -0.5605 | |
269 | E | X | 0.0000 | |
270 | E | X | 0.0000 | |
271 | N | X | -1.5736 | |
272 | E | X | -2.1152 | |
273 | A | X | 0.0000 | |
274 | K | X | -2.1018 | |
275 | N | X | -2.6813 | |
276 | D | X | -2.7294 | |
277 | A | X | -1.4392 | |
278 | P | X | -0.7237 | |
279 | S | X | 0.0104 | |
280 | V | X | 0.9636 | |
281 | S | X | 0.1271 | |
282 | G | X | -0.5961 | |
283 | G | X | -0.8371 | |
284 | G | X | -0.8726 | |
285 | S | X | -0.6521 | |
286 | S | X | -0.7096 | |
287 | S | X | 0.0000 | |
288 | G | X | -0.4296 | |
289 | T | X | -0.0041 | |
290 | F | X | 0.7327 | |
291 | N | X | -1.4161 | |
292 | K | X | -1.8436 | |
293 | Y | X | -0.9753 | |
294 | L | X | 0.0000 | |
295 | N | X | -0.8241 | |
296 | T | X | 0.0000 | |
297 | K | X | -1.0853 | |
298 | Q | X | -1.3940 | |
299 | A | X | -0.9588 | |
300 | L | X | 0.0000 | |
301 | E | X | -1.1201 | |
302 | S | X | -0.9624 | |
303 | I | X | 0.0000 | |
304 | G | X | 0.0000 | |
305 | I | X | 0.0000 | |
306 | L | X | 0.0000 | |
307 | F | X | 0.0000 | |
308 | D | X | -1.9018 | |
309 | D | X | -2.3047 | |
310 | Q | X | -2.1010 | |
311 | T | X | 0.0000 | |
312 | P | X | 0.0000 | |
313 | R | X | 0.0000 | |
314 | N | X | 0.0000 | |
315 | V | X | 0.0000 | |
316 | I | X | 0.0000 | |
317 | T | X | 0.0000 | |
318 | Q | X | 0.0000 | |
319 | L | X | 0.0000 | |
320 | Y | X | 0.0000 | |
321 | Y | X | 0.0000 | |
322 | A | X | 0.0000 | |
323 | S | X | 0.0000 | |
324 | T | X | 0.0000 | |
325 | S | X | 0.0000 | |
326 | K | X | -0.4566 | |
327 | L | X | 0.7654 | |
328 | A | X | 0.0000 | |
329 | V | X | 1.2106 | |
330 | T | X | 0.0000 | |
331 | N | X | -1.6803 | |
332 | N | X | -1.4653 | |
333 | H | X | -1.1288 | |
334 | I | X | 0.0000 | |
335 | V | X | 0.0000 | |
336 | V | X | 0.0000 | |
337 | M | X | 0.0000 | |
338 | G | X | 0.0000 | |
339 | N | X | -0.3553 | |
340 | S | X | -0.3787 | |
341 | F | X | 0.0000 | |
342 | L | X | 0.0000 | |
343 | P | X | 0.0000 | |
344 | S | X | 0.0000 | |
345 | M | X | 0.0000 | |
346 | W | X | 0.0000 | |
347 | Y | X | 0.0000 | |
348 | W | X | 0.0000 | |
349 | V | X | 0.0000 | |
350 | V | X | 0.0000 | |
351 | E | X | -1.6051 | |
352 | R | X | -1.7388 | |
353 | S | X | -1.1403 | |
354 | A | X | -1.0040 | |
355 | Q | X | -2.0103 | |
356 | E | X | -2.8561 | |
357 | N | X | -2.2262 | |
358 | A | X | -1.6080 | |
359 | S | X | -1.2747 | |
360 | N | X | 0.0000 | |
361 | K | X | -1.1970 | |
362 | P | X | 0.0000 | |
363 | T | X | 0.0000 | |
364 | W | X | 0.0000 | |
365 | F | X | 0.0000 | |
366 | A | X | 0.0000 | |
367 | N | X | 0.0000 | |
368 | T | X | 0.0000 | |
369 | N | X | -1.4907 | |
370 | L | X | 0.0000 | |
371 | D | X | -2.4057 | |
372 | W | X | -1.8114 | |
373 | G | X | -2.2574 | |
374 | E | X | -3.2493 | |
375 | D | X | -3.4831 | |
376 | K | X | -2.6556 | |
377 | Q | X | -2.0908 | |
378 | K | X | -2.2786 | |
379 | Q | X | -2.4097 | |
380 | F | X | 0.0000 | |
381 | V | X | 0.0000 | |
382 | E | X | -1.4054 | |
383 | N | X | -1.4697 | |
384 | Q | X | 0.0000 | |
385 | L | X | 0.0000 | |
386 | G | X | 0.0000 | |
387 | Y | X | -0.5844 | |
388 | K | X | -0.6411 | |
389 | E | X | -0.9097 | |
390 | T | X | -0.6780 | |
391 | T | X | -0.6862 | |
392 | S | X | -0.5863 | |
393 | T | X | -0.5438 | |
394 | N | X | -0.9575 | |
395 | S | X | -1.0206 | |
396 | H | X | 0.0000 | |
397 | N | X | 0.0000 | |
398 | F | X | 0.0000 | |
399 | H | X | -1.4677 | |
400 | S | X | -1.2246 | |
401 | K | X | -1.3356 | |
402 | S | X | -0.9652 | |
403 | F | X | 0.0000 | |
404 | T | X | 0.0000 | |
405 | Q | X | 0.0000 | |
406 | P | X | 0.0000 | |
407 | A | X | 0.0000 | |
408 | Y | X | 0.0000 | |
409 | L | X | 0.0763 | |
410 | I | X | 0.0000 | |
411 | S | X | -0.3796 | |
412 | G | X | -0.3334 | |
413 | I | X | 0.0000 | |
414 | D | X | -0.2952 | |
415 | S | X | 0.3216 | |
416 | V | X | 0.6988 | |
417 | N | X | -0.9706 | |
418 | D | X | -1.4379 | |
419 | Q | X | -0.7165 | |
420 | I | X | 0.0000 | |
421 | I | X | 0.7344 | |
422 | F | X | 0.0000 | |
423 | S | X | 0.0874 | |
424 | G | X | 0.0000 | |
425 | F | X | 0.0000 | |
426 | K | X | 0.0000 | |
427 | A | X | 0.0000 | |
428 | G | X | 0.0000 | |
429 | S | X | 0.0000 | |
430 | V | X | 0.0000 | |
431 | G | X | 0.0000 | |
432 | Y | X | 0.0000 | |
433 | D | X | 0.0000 | |
434 | S | X | -0.6352 | |
435 | S | X | -0.4931 | |
436 | S | X | -0.4166 | |
437 | S | X | -0.8291 | |
438 | S | X | 0.0000 | |
439 | S | X | 0.0000 | |
440 | S | X | -0.9180 | |
441 | S | X | -0.9871 | |
442 | S | X | -0.6732 | |
443 | S | X | -0.2671 | |
444 | S | X | -0.2901 | |
445 | S | X | 0.0000 | |
446 | T | X | -1.2647 | |
447 | K | X | -2.2589 | |
448 | D | X | -2.5418 | |
449 | Q | X | 0.0000 | |
450 | A | X | 0.0000 | |
451 | L | X | 0.0000 | |
452 | A | X | 0.0000 | |
453 | W | X | 0.1249 | |
454 | S | X | -0.0178 | |
455 | T | X | 0.0000 | |
456 | T | X | 0.0000 | |
457 | T | X | 0.0000 | |
458 | S | X | 0.0000 | |
459 | L | X | 0.0000 | |
460 | D | X | -1.2177 | |
461 | S | X | 0.0000 | |
462 | K | X | 0.0000 | |
463 | T | X | 0.0000 | |
464 | G | X | -1.2696 | |
465 | Y | X | -1.0735 | |
466 | K | X | -1.8259 | |
467 | D | X | -1.8354 | |
468 | L | X | 0.0000 | |
469 | V | X | -0.5829 | |
470 | T | X | -1.2869 | |
471 | N | X | 0.0000 | |
472 | D | X | 0.0000 | |
473 | T | X | 0.0000 | |
474 | G | X | 0.0000 | |
475 | L | X | -0.0007 | |
476 | N | X | 0.0000 | |
477 | G | X | 0.0000 | |
478 | P | X | -0.3289 | |
479 | I | X | 0.0000 | |
480 | N | X | 0.0000 | |
481 | G | X | 0.0000 | |
482 | S | X | 0.0000 | |
483 | F | X | -0.1748 | |
484 | S | X | -0.3738 | |
485 | I | X | 0.4226 | |
486 | Q | X | -1.6299 | |
487 | D | X | -2.7675 | |
488 | T | X | -1.9784 | |
489 | F | X | 0.0000 | |
490 | S | X | 0.0000 | |
491 | F | X | 0.0000 | |
492 | V | X | 0.0000 | |
493 | V | X | 0.0000 | |
494 | P | X | 0.0000 | |
495 | Y | X | 0.0000 | |
496 | S | X | 0.0000 | |
497 | G | X | -0.9145 | |
498 | N | X | -1.7191 | |
499 | H | X | -1.7665 | |
500 | T | X | -1.5763 | |
501 | N | X | -2.5392 | |
502 | N | X | -2.3273 | |
503 | G | X | -1.3945 | |
504 | T | X | -1.1495 | |
505 | T | X | -0.8274 | |
506 | G | X | 0.0000 | |
507 | P | X | -0.8120 | |
508 | I | X | -1.3271 | |
509 | K | X | -2.1083 | |
510 | T | X | -1.7385 | |
511 | A | X | 0.0000 | |
512 | Y | X | 0.0000 | |
513 | P | X | 0.0000 | |
514 | V | X | 0.0000 | |
515 | K | X | 0.0000 | |
516 | K | X | -2.5727 | |
517 | D | X | -2.9872 | |
518 | Q | X | -2.2140 | |
519 | K | X | -2.3187 | |
520 | S | X | 0.0000 | |
521 | T | X | 0.0000 | |
522 | V | X | 0.0000 | |
523 | K | X | -0.7400 | |
524 | I | X | 0.0000 | |
525 | N | X | 0.0000 | |
526 | S | X | 0.0000 | |
527 | L | X | 0.0000 | |
528 | I | X | 0.0000 | |
529 | N | X | 0.0000 | |
530 | A | X | 0.0000 | |
531 | T | X | 0.0000 | |
532 | P | X | 0.0939 | |
533 | L | X | 0.0000 | |
534 | N | X | 0.0000 | |
535 | S | X | 0.0000 | |
536 | Y | X | 0.0000 | |
537 | G | X | 0.0000 | |
538 | D | X | 0.0000 | |
539 | E | X | 0.0000 | |
540 | G | X | 0.0000 | |
541 | I | X | 0.0000 | |
542 | G | X | 0.0000 | |
543 | V | X | 0.0000 | |
544 | F | X | 0.0000 | |
545 | D | X | 0.0000 | |
546 | A | X | 0.0000 | |
547 | L | X | 0.3182 | |
548 | G | X | 0.0000 | |
549 | L | X | -0.2114 | |
550 | N | X | 0.0000 | |
551 | Y | X | -0.7629 | |
552 | N | X | 0.0000 | |
553 | F | X | -1.1186 | |
554 | K | X | -2.2833 | |
555 | S | X | -1.9083 | |
556 | N | X | -1.6998 | |
557 | Q | X | -1.9177 | |
558 | E | X | 0.0000 | |
559 | R | X | -1.7460 | |
560 | L | X | -0.3667 | |
561 | P | X | 0.0000 | |
562 | S | X | 0.0000 | |
563 | R | X | 0.0000 | |
564 | T | X | 0.0000 | |
565 | D | X | 0.0000 | |
566 | Q | X | 0.0000 | |
567 | I | X | 0.0000 | |
568 | F | X | 0.0000 | |
569 | V | X | 0.0000 | |
570 | Y | X | 0.2702 | |
571 | G | X | 0.0000 | |
572 | I | X | 0.5750 | |
573 | V | X | 0.0000 | |
574 | S | X | -0.9049 | |
575 | P | X | -1.9067 | |
576 | N | X | -2.2321 | |
577 | E | X | 0.0000 | |
578 | L | X | 0.0000 | |
579 | R | X | -2.5375 | |
580 | S | X | -1.9298 | |
581 | A | X | 0.0000 | |
582 | K | X | -1.6642 | |
583 | S | X | -1.5966 | |
584 | S | X | 0.0000 | |
585 | A | X | 0.0000 | |
586 | D | X | -2.0925 | |
587 | S | X | -1.2630 | |
588 | T | X | -0.9966 | |
589 | G | X | -1.0197 | |
590 | S | X | -1.0038 | |
591 | D | X | 0.0000 | |
592 | T | X | -1.2917 | |
593 | K | X | -2.1882 | |
594 | V | X | 0.0000 | |
595 | N | X | -2.2418 | |
596 | W | X | 0.0000 | |
597 | S | X | -1.1551 | |
598 | N | X | -1.0973 | |
599 | T | X | 0.0000 | |
600 | Q | X | -0.9383 | |
601 | S | X | -0.3076 | |
602 | R | X | -0.3117 | |
603 | Y | X | 0.5528 | |
604 | L | X | 1.4744 | |
605 | P | X | 0.8833 | |
606 | V | X | 0.4832 | |
607 | P | X | -0.1524 | |
608 | Y | X | 0.0000 | |
609 | N | X | -1.4374 | |
610 | Y | X | 0.0000 | |
611 | S | X | -1.3774 | |
612 | E | X | -2.4608 | |
613 | G | X | -1.7849 | |
614 | I | X | 0.0000 | |
615 | I | X | 0.0000 | |
616 | D | X | -2.6608 | |
617 | A | X | 0.0000 | |
618 | D | X | -2.7980 | |
619 | G | X | -2.2541 | |
620 | F | X | -1.9089 | |
621 | K | X | -3.7057 | |
622 | R | X | -3.6816 | |
623 | P | X | -2.9594 | |
624 | E | X | -3.8411 | |
625 | N | X | -3.4301 | |
626 | R | X | -3.6587 | |
627 | G | X | 0.0000 | |
628 | A | X | -1.2790 | |
629 | S | X | -0.3088 | |
630 | V | X | 0.4873 | |
631 | T | X | 0.0241 | |
632 | T | X | -0.2614 | |
633 | F | X | -0.4858 | |
634 | S | X | -0.7492 | |
635 | G | X | -0.9304 |
CABS-flex predictions of flexibility of input structure
In dynamic mode, A3D analysis is performed on the set of models reflecting fluctuations of the input structure (predicted
by CABS-flex method, models are numbered from 0 to 11) and the input model.
Their A3D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A3D score, -0.5677 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A3D Score |
|||
model_3 | -0.5677 | View | CSV | PDB |
model_8 | -0.5809 | View | CSV | PDB |
model_1 | -0.5866 | View | CSV | PDB |
model_2 | -0.5874 | View | CSV | PDB |
model_7 | -0.6003 | View | CSV | PDB |
model_0 | -0.6214 | View | CSV | PDB |
model_5 | -0.6339 | View | CSV | PDB |
model_6 | -0.643 | View | CSV | PDB |
input | -0.6631 | View | CSV | PDB |
model_9 | -0.6761 | View | CSV | PDB |
model_10 | -0.6961 | View | CSV | PDB |
model_4 | -0.7017 | View | CSV | PDB |
model_11 | -0.7056 | View | CSV | PDB |