Chain sequence(s) |
A: RPFVEMYSEIPEIIHMTEGRELVIPCRVTSPNITVTLKKFPLDTLIPDGKRIIWDSRKGFIISNATYKEIGLLTCEATVNGHLYKTNYLTHRQTGGGGGGGGGPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
B: RPFVEMYSEIPEIIHMTEGRELVIPCRVTSPNITVTLKKFPLDTLIPDGKRIIWDSRKGFIISNATYKEIGLLTCEATVNGHLYKTNYLTHRQTGGGGGGGGGPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK input PDB |
Selected Chain(s) | A,B |
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] (00:00:01) [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 all chain(s) selected (00:00:01) [INFO] runJob: Creating pdb object from: input.pdb (00:00:01) [INFO] FoldX: Starting FoldX energy minimalization (00:00:01) [INFO] CABS: Running CABS flex simulation (00:07:07) [INFO] Analysis: Starting Aggrescan3D on model_11.pdb (01:52:37) [INFO] Analysis: Starting Aggrescan3D on model_2.pdb (01:52:43) [INFO] Analysis: Starting Aggrescan3D on model_7.pdb (01:52:49) [INFO] Analysis: Starting Aggrescan3D on model_6.pdb (01:52:54) [INFO] Analysis: Starting Aggrescan3D on model_1.pdb (01:52:59) [INFO] Analysis: Starting Aggrescan3D on model_8.pdb (01:53:05) [INFO] Analysis: Starting Aggrescan3D on model_10.pdb (01:53:11) [INFO] Analysis: Starting Aggrescan3D on model_3.pdb (01:53:16) [INFO] Analysis: Starting Aggrescan3D on model_0.pdb (01:53:22) [INFO] Analysis: Starting Aggrescan3D on model_9.pdb (01:53:27) [INFO] Analysis: Starting Aggrescan3D on model_4.pdb (01:53:33) [INFO] Analysis: Starting Aggrescan3D on model_5.pdb (01:53:38) [INFO] Analysis: Starting Aggrescan3D on input.pdb (01:53:43) [WARNING] CABS: Pymol failed to launch (most likely not present on the system).Couldn't create a superimposed picture of CABS input and output (01:53:50) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (01:53:51) [CRITICAL] pyMol: Pymol encountered an error: /bin/sh: pymol: command not found Movie creation failed. (01:53:51) [INFO] Main: Simulation completed successfully. (01:53:57) |
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 | |
1 | R | A | -1.1249 | |
2 | P | A | 0.0920 | |
3 | F | A | 1.5750 | |
4 | V | A | 0.9928 | |
5 | E | A | -0.0543 | |
6 | M | A | 0.5896 | |
7 | Y | A | 0.7279 | |
8 | S | A | -0.4065 | |
9 | E | A | -1.6522 | |
10 | I | A | -0.4884 | |
11 | P | A | -0.2933 | |
12 | E | A | 0.1992 | |
13 | I | A | 1.7267 | |
14 | I | A | 0.0000 | |
15 | H | A | -1.8309 | |
16 | M | A | 0.0000 | |
17 | T | A | -3.4252 | |
18 | E | A | -3.7755 | |
19 | G | A | -2.5743 | |
20 | R | A | -3.4548 | |
21 | E | A | -2.3739 | |
22 | L | A | 0.0000 | |
23 | V | A | -0.1260 | |
24 | I | A | 0.0000 | |
25 | P | A | -0.7252 | |
26 | C | A | 0.0000 | |
27 | R | A | -0.4948 | |
28 | V | A | 0.7142 | |
29 | T | A | 0.0000 | |
30 | S | A | -0.2534 | |
31 | P | A | -0.7098 | |
32 | N | A | -0.9003 | |
33 | I | A | 1.1620 | |
34 | T | A | 0.7150 | |
35 | V | A | 0.9085 | |
36 | T | A | -0.0712 | |
37 | L | A | 0.0000 | |
38 | K | A | -0.1108 | |
39 | K | A | 0.0000 | |
40 | F | A | 1.3349 | |
41 | P | A | 0.7957 | |
42 | L | A | 0.8741 | |
43 | D | A | 0.3051 | |
44 | T | A | 0.3572 | |
45 | L | A | 0.0000 | |
46 | I | A | 1.6289 | |
47 | P | A | -0.1946 | |
48 | D | A | 0.0000 | |
49 | G | A | -1.7676 | |
50 | K | A | -2.2868 | |
51 | R | A | -1.8542 | |
52 | I | A | 0.7152 | |
53 | I | A | 0.9909 | |
54 | W | A | 0.4438 | |
55 | D | A | -2.2259 | |
56 | S | A | -2.1726 | |
57 | R | A | -3.1887 | |
58 | K | A | -2.8356 | |
59 | G | A | 0.0000 | |
60 | F | A | 0.2438 | |
61 | I | A | 0.0102 | |
62 | I | A | 0.0000 | |
63 | S | A | -1.1403 | |
64 | N | A | -1.7435 | |
65 | A | A | -0.9958 | |
66 | T | A | -0.7587 | |
67 | Y | A | -0.8351 | |
68 | K | A | -1.1175 | |
69 | E | A | 0.0000 | |
70 | I | A | 0.7295 | |
71 | G | A | 0.6572 | |
72 | L | A | 1.2706 | |
73 | L | A | 0.0000 | |
74 | T | A | -0.3516 | |
75 | C | A | 0.0000 | |
76 | E | A | -1.0399 | |
77 | A | A | 0.0000 | |
78 | T | A | 0.0480 | |
79 | V | A | 0.0000 | |
80 | N | A | -1.3455 | |
81 | G | A | -1.0370 | |
82 | H | A | 0.0324 | |
83 | L | A | 0.2586 | |
84 | Y | A | 0.0000 | |
85 | K | A | -1.5599 | |
86 | T | A | 0.0000 | |
87 | N | A | -0.6390 | |
88 | Y | A | 0.0000 | |
89 | L | A | 1.2907 | |
90 | T | A | 0.0368 | |
91 | H | A | -1.4009 | |
92 | R | A | -3.3804 | |
93 | Q | A | -3.4746 | |
94 | T | A | -2.3787 | |
95 | G | A | -1.5551 | |
96 | G | A | -1.1160 | |
97 | G | A | -1.1810 | |
98 | G | A | -1.2466 | |
99 | G | A | -1.2730 | |
100 | G | A | -1.1978 | |
101 | G | A | -1.2819 | |
102 | G | A | -1.4476 | |
103 | G | A | -1.6101 | |
104 | P | A | -1.6346 | |
105 | K | A | -2.2057 | |
106 | S | A | -1.4319 | |
107 | C | A | -1.1009 | |
108 | D | A | -2.5531 | |
109 | K | A | -2.4117 | |
110 | T | A | -1.2530 | |
111 | H | A | -0.8679 | |
112 | T | A | -0.6333 | |
113 | C | A | -0.2271 | |
114 | P | A | -0.4427 | |
115 | P | A | -0.3386 | |
116 | C | A | -0.1403 | |
117 | P | A | -0.3981 | |
118 | A | A | -0.2923 | |
119 | P | A | -0.4611 | |
120 | E | A | -0.2620 | |
121 | L | A | 1.3088 | |
122 | L | A | 1.3835 | |
123 | G | A | 0.2862 | |
124 | G | A | 0.0743 | |
125 | P | A | 0.1870 | |
126 | S | A | 0.3796 | |
127 | V | A | 1.1194 | |
128 | F | A | 2.2288 | |
129 | L | A | 0.0000 | |
130 | F | A | 1.7321 | |
131 | P | A | -0.0893 | |
132 | P | A | 0.0000 | |
133 | K | A | -2.1843 | |
134 | P | A | -1.7121 | |
135 | K | A | -1.6766 | |
136 | D | A | -1.3890 | |
137 | T | A | 0.0000 | |
138 | L | A | 0.0000 | |
139 | M | A | -0.0026 | |
140 | I | A | 1.0340 | |
141 | S | A | -0.2562 | |
142 | R | A | -1.5234 | |
143 | T | A | -0.7150 | |
144 | P | A | 0.0000 | |
145 | E | A | -0.7643 | |
146 | V | A | 0.0000 | |
147 | T | A | 0.7808 | |
148 | C | A | 0.0000 | |
149 | V | A | 1.2078 | |
150 | V | A | 0.0000 | |
151 | V | A | 0.0000 | |
152 | D | A | 0.0000 | |
153 | V | A | 0.7164 | |
154 | S | A | -0.3847 | |
155 | H | A | -1.2985 | |
156 | E | A | -2.4963 | |
157 | D | A | 0.0000 | |
158 | P | A | -1.9585 | |
159 | E | A | -2.1304 | |
160 | V | A | -1.0445 | |
161 | K | A | -0.7916 | |
162 | F | A | 0.0000 | |
163 | N | A | 0.0000 | |
164 | W | A | 0.0000 | |
165 | Y | A | -0.3921 | |
166 | V | A | -0.5585 | |
167 | D | A | -2.0520 | |
168 | G | A | -0.4578 | |
169 | V | A | 0.9308 | |
170 | E | A | -0.1752 | |
171 | V | A | 0.0426 | |
172 | H | A | -0.9430 | |
173 | N | A | -1.8125 | |
174 | A | A | -1.6233 | |
175 | K | A | -2.3644 | |
176 | T | A | -1.9739 | |
177 | K | A | -2.7637 | |
178 | P | A | -2.8463 | |
179 | R | A | -4.0416 | |
180 | E | A | -3.6154 | |
181 | E | A | -3.5028 | |
182 | Q | A | -2.4462 | |
183 | Y | A | -0.4698 | |
184 | N | A | -1.1693 | |
185 | S | A | -0.7456 | |
186 | T | A | -1.2129 | |
187 | Y | A | -2.0561 | |
188 | R | A | -2.5305 | |
189 | V | A | 0.0000 | |
190 | V | A | -0.7772 | |
191 | S | A | 0.0000 | |
192 | V | A | -0.4945 | |
193 | L | A | 0.0000 | |
194 | T | A | -0.6096 | |
195 | V | A | 0.0000 | |
196 | L | A | 0.1128 | |
197 | H | A | -0.4933 | |
198 | Q | A | -1.2666 | |
199 | D | A | -1.8040 | |
200 | W | A | 0.0000 | |
201 | L | A | -1.1668 | |
202 | N | A | -2.4366 | |
203 | G | A | -2.1955 | |
204 | K | A | -2.5809 | |
205 | E | A | -2.5112 | |
206 | Y | A | 0.0000 | |
207 | K | A | -1.7694 | |
208 | C | A | 0.0000 | |
209 | K | A | 0.0000 | |
210 | V | A | 0.0000 | |
211 | S | A | 0.0000 | |
212 | N | A | 0.0000 | |
213 | K | A | -1.0465 | |
214 | A | A | -0.5521 | |
215 | L | A | -0.0133 | |
216 | P | A | -0.3633 | |
217 | A | A | 0.0000 | |
218 | P | A | 0.0000 | |
219 | I | A | 0.3323 | |
220 | E | A | -0.2587 | |
221 | K | A | -0.2218 | |
222 | T | A | -0.5077 | |
223 | I | A | 0.0000 | |
224 | S | A | -1.6970 | |
225 | K | A | -2.3925 | |
226 | A | A | -1.8343 | |
227 | K | A | -1.5855 | |
228 | G | A | -1.3892 | |
229 | Q | A | -1.8921 | |
230 | P | A | -1.4713 | |
231 | R | A | -1.7736 | |
232 | E | A | -1.9003 | |
233 | P | A | -0.8764 | |
234 | Q | A | -0.8039 | |
235 | V | A | -0.4419 | |
236 | Y | A | 0.0000 | |
237 | T | A | 0.0000 | |
238 | L | A | 0.0000 | |
239 | P | A | 0.0000 | |
240 | P | A | 0.0000 | |
241 | S | A | 0.0000 | |
242 | R | A | -0.9948 | |
243 | D | A | -1.7171 | |
244 | E | A | 0.0000 | |
245 | L | A | -0.8174 | |
246 | T | A | -1.0185 | |
247 | K | A | -1.6166 | |
248 | N | A | -2.1326 | |
249 | Q | A | -1.6147 | |
250 | V | A | 0.0000 | |
251 | S | A | 0.0000 | |
252 | L | A | 0.0000 | |
253 | T | A | 0.0000 | |
254 | C | A | 0.0000 | |
255 | L | A | 0.0000 | |
256 | V | A | 0.0000 | |
257 | K | A | 0.0000 | |
258 | G | A | 0.0000 | |
259 | F | A | 0.0000 | |
260 | Y | A | -0.6698 | |
261 | P | A | -0.6380 | |
262 | S | A | 0.0000 | |
263 | D | A | -0.9298 | |
264 | I | A | -0.1024 | |
265 | A | A | -0.6580 | |
266 | V | A | 0.0000 | |
267 | E | A | -1.3347 | |
268 | W | A | 0.0000 | |
269 | E | A | -2.8565 | |
270 | S | A | 0.0000 | |
271 | N | A | -2.3611 | |
272 | G | A | -2.2066 | |
273 | Q | A | -2.8694 | |
274 | P | A | -2.5744 | |
275 | E | A | -2.6972 | |
276 | N | A | -2.0597 | |
277 | N | A | -1.0303 | |
278 | Y | A | 0.1799 | |
279 | K | A | 0.2884 | |
280 | T | A | 0.1262 | |
281 | T | A | 0.0000 | |
282 | P | A | -0.2133 | |
283 | P | A | 0.3328 | |
284 | V | A | 0.8700 | |
285 | L | A | 1.1754 | |
286 | D | A | -0.1658 | |
287 | S | A | -0.9329 | |
288 | D | A | -1.8678 | |
289 | G | A | -0.8465 | |
290 | S | A | 0.0000 | |
291 | F | A | 0.1130 | |
292 | F | A | 0.0000 | |
293 | L | A | 0.0000 | |
294 | Y | A | 0.0000 | |
295 | S | A | 0.0000 | |
296 | K | A | 0.0000 | |
297 | L | A | 0.0000 | |
298 | T | A | 0.0000 | |
299 | V | A | 0.0000 | |
300 | D | A | -2.2398 | |
301 | K | A | 0.0000 | |
302 | S | A | -2.3105 | |
303 | R | A | -3.0513 | |
304 | W | A | 0.0000 | |
305 | Q | A | -2.8019 | |
306 | Q | A | -2.5833 | |
307 | G | A | -2.0887 | |
308 | N | A | -1.8511 | |
309 | V | A | -0.2454 | |
310 | F | A | 0.0000 | |
311 | S | A | -1.0881 | |
312 | C | A | 0.0000 | |
313 | S | A | -1.1237 | |
314 | V | A | 0.0000 | |
315 | M | A | -0.3725 | |
316 | H | A | 0.0000 | |
317 | E | A | 0.0000 | |
318 | A | A | 0.3877 | |
319 | L | A | 1.3852 | |
320 | H | A | 0.0000 | |
321 | N | A | -0.7650 | |
322 | H | A | -1.0195 | |
323 | Y | A | -0.4588 | |
324 | T | A | -0.6241 | |
325 | Q | A | -1.3682 | |
326 | K | A | 0.0000 | |
327 | S | A | -0.4663 | |
328 | L | A | 0.0000 | |
329 | S | A | 0.0000 | |
330 | L | A | 0.0000 | |
331 | S | A | -0.5508 | |
332 | P | A | -0.9415 | |
333 | G | A | -1.1050 | |
334 | K | A | -1.5798 | |
335 | R | B | -1.7186 | |
336 | P | B | 0.0000 | |
337 | F | B | 0.4342 | |
338 | V | B | 0.4027 | |
339 | E | B | 0.4285 | |
340 | M | B | 1.5515 | |
341 | Y | B | 1.4202 | |
342 | S | B | 0.3353 | |
343 | E | B | -0.1301 | |
344 | I | B | 0.5915 | |
345 | P | B | 0.5336 | |
346 | E | B | 0.5692 | |
347 | I | B | 1.7199 | |
348 | I | B | 0.0000 | |
349 | H | B | -0.6796 | |
350 | M | B | -0.7715 | |
351 | T | B | 0.0000 | |
352 | E | B | -2.8862 | |
353 | G | B | -1.5649 | |
354 | R | B | -1.9047 | |
355 | E | B | -2.1028 | |
356 | L | B | 0.0000 | |
357 | V | B | 0.8372 | |
358 | I | B | 0.0000 | |
359 | P | B | -0.2835 | |
360 | C | B | 0.0000 | |
361 | R | B | -1.5655 | |
362 | V | B | -1.0249 | |
363 | T | B | -1.6062 | |
364 | S | B | -0.9534 | |
365 | P | B | -1.1353 | |
366 | N | B | -1.8798 | |
367 | I | B | -1.2113 | |
368 | T | B | -1.1605 | |
369 | V | B | 0.0000 | |
370 | T | B | -0.5004 | |
371 | L | B | 0.0000 | |
372 | K | B | -1.0471 | |
373 | K | B | 0.0000 | |
374 | F | B | 1.6842 | |
375 | P | B | 0.8713 | |
376 | L | B | 0.8161 | |
377 | D | B | -1.0169 | |
378 | T | B | -0.5860 | |
379 | L | B | -0.5403 | |
380 | I | B | 0.0000 | |
381 | P | B | 0.0000 | |
382 | D | B | -2.3358 | |
383 | G | B | -1.7001 | |
384 | K | B | -1.7458 | |
385 | R | B | -1.6242 | |
386 | I | B | 0.6670 | |
387 | I | B | 1.6704 | |
388 | W | B | 0.1980 | |
389 | D | B | -2.4134 | |
390 | S | B | 0.0000 | |
391 | R | B | -3.3537 | |
392 | K | B | -2.8357 | |
393 | G | B | -1.1747 | |
394 | F | B | 0.0000 | |
395 | I | B | 0.9981 | |
396 | I | B | 0.0000 | |
397 | S | B | -0.8600 | |
398 | N | B | 0.0000 | |
399 | A | B | -1.3370 | |
400 | T | B | -0.9725 | |
401 | Y | B | -0.8039 | |
402 | K | B | -2.3155 | |
403 | E | B | 0.0000 | |
404 | I | B | 0.0000 | |
405 | G | B | 0.5198 | |
406 | L | B | 1.3583 | |
407 | L | B | 0.0000 | |
408 | T | B | -0.4890 | |
409 | C | B | 0.0000 | |
410 | E | B | -0.7410 | |
411 | A | B | 0.0000 | |
412 | T | B | -0.2577 | |
413 | V | B | -0.6908 | |
414 | N | B | -1.5920 | |
415 | G | B | -0.9293 | |
416 | H | B | -0.7905 | |
417 | L | B | 0.7351 | |
418 | Y | B | 0.0000 | |
419 | K | B | -0.6343 | |
420 | T | B | 0.0000 | |
421 | N | B | 0.0000 | |
422 | Y | B | 0.0000 | |
423 | L | B | 0.5957 | |
424 | T | B | 0.0000 | |
425 | H | B | -1.4298 | |
426 | R | B | -2.6714 | |
427 | Q | B | -2.4990 | |
428 | T | B | -1.8156 | |
429 | G | B | -1.4756 | |
430 | G | B | -1.1203 | |
431 | G | B | -1.2134 | |
432 | G | B | -1.2088 | |
433 | G | B | -1.2081 | |
434 | G | B | -1.2000 | |
435 | G | B | -1.1546 | |
436 | G | B | -1.3921 | |
437 | G | B | -1.6724 | |
438 | P | B | -1.6032 | |
439 | K | B | -2.4150 | |
440 | S | B | -1.5643 | |
441 | C | B | -1.1332 | |
442 | D | B | -2.3957 | |
443 | K | B | -1.7179 | |
444 | T | B | 0.0000 | |
445 | H | B | 0.0000 | |
446 | T | B | -0.7716 | |
447 | C | B | -0.5109 | |
448 | P | B | -0.4140 | |
449 | P | B | -0.2965 | |
450 | C | B | -0.0858 | |
451 | P | B | -0.7306 | |
452 | A | B | -0.8573 | |
453 | P | B | -0.8462 | |
454 | E | B | -0.5586 | |
455 | L | B | 0.4957 | |
456 | L | B | 0.0360 | |
457 | G | B | -0.5902 | |
458 | G | B | -0.9011 | |
459 | P | B | -0.3557 | |
460 | S | B | 0.2974 | |
461 | V | B | 0.9621 | |
462 | F | B | 2.5295 | |
463 | L | B | 1.9405 | |
464 | F | B | 2.2011 | |
465 | P | B | 0.6707 | |
466 | P | B | -0.4177 | |
467 | K | B | -1.0283 | |
468 | P | B | -1.1222 | |
469 | K | B | -1.7909 | |
470 | D | B | -1.2841 | |
471 | T | B | 0.0000 | |
472 | L | B | 0.0000 | |
473 | M | B | -0.2029 | |
474 | I | B | 0.5658 | |
475 | S | B | -0.5835 | |
476 | R | B | -1.5506 | |
477 | T | B | -0.8430 | |
478 | P | B | 0.0000 | |
479 | E | B | -0.3947 | |
480 | V | B | 0.0000 | |
481 | T | B | 0.9145 | |
482 | C | B | 0.0000 | |
483 | V | B | 1.4617 | |
484 | V | B | 0.0000 | |
485 | V | B | 0.4029 | |
486 | D | B | -0.9091 | |
487 | V | B | 0.0000 | |
488 | S | B | -0.7392 | |
489 | H | B | -0.9617 | |
490 | E | B | -1.2269 | |
491 | D | B | -1.9093 | |
492 | P | B | 0.0000 | |
493 | E | B | -2.5418 | |
494 | V | B | -1.8985 | |
495 | K | B | -1.7746 | |
496 | F | B | 0.0000 | |
497 | N | B | -1.9420 | |
498 | W | B | 0.0000 | |
499 | Y | B | -0.4318 | |
500 | V | B | 0.0000 | |
501 | D | B | -1.4557 | |
502 | G | B | -0.5403 | |
503 | V | B | 0.4687 | |
504 | E | B | -1.2599 | |
505 | V | B | -0.8607 | |
506 | H | B | -2.0292 | |
507 | N | B | -2.1997 | |
508 | A | B | -1.8195 | |
509 | K | B | -2.1251 | |
510 | T | B | -1.5745 | |
511 | K | B | -1.7690 | |
512 | P | B | -1.9701 | |
513 | R | B | -2.9555 | |
514 | E | B | -2.5074 | |
515 | E | B | -2.5864 | |
516 | Q | B | -1.7916 | |
517 | Y | B | -0.4128 | |
518 | N | B | -1.1322 | |
519 | S | B | -0.9879 | |
520 | T | B | -0.9870 | |
521 | Y | B | 0.0000 | |
522 | R | B | -1.5340 | |
523 | V | B | 0.0000 | |
524 | V | B | -0.3476 | |
525 | S | B | 0.0000 | |
526 | V | B | 0.0362 | |
527 | L | B | 0.0000 | |
528 | T | B | -0.2982 | |
529 | V | B | 0.0000 | |
530 | L | B | 0.8421 | |
531 | H | B | 0.0000 | |
532 | Q | B | -1.2650 | |
533 | D | B | 0.0000 | |
534 | W | B | 0.0000 | |
535 | L | B | -0.7884 | |
536 | N | B | -1.7084 | |
537 | G | B | -1.7306 | |
538 | K | B | -1.4847 | |
539 | E | B | -1.6352 | |
540 | Y | B | 0.0000 | |
541 | K | B | -1.4421 | |
542 | C | B | 0.0000 | |
543 | K | B | -2.0236 | |
544 | V | B | 0.0000 | |
545 | S | B | -1.6841 | |
546 | N | B | 0.0000 | |
547 | K | B | -2.3879 | |
548 | A | B | -1.3932 | |
549 | L | B | 0.0000 | |
550 | P | B | -0.3751 | |
551 | A | B | 0.0000 | |
552 | P | B | -1.1594 | |
553 | I | B | -1.2579 | |
554 | E | B | -2.3433 | |
555 | K | B | 0.0000 | |
556 | T | B | -0.3845 | |
557 | I | B | -0.0657 | |
558 | S | B | -0.8929 | |
559 | K | B | -1.0022 | |
560 | A | B | -0.8741 | |
561 | K | B | -1.4135 | |
562 | G | B | -1.2524 | |
563 | Q | B | 0.0000 | |
564 | P | B | -1.5580 | |
565 | R | B | -2.8066 | |
566 | E | B | -2.9014 | |
567 | P | B | -1.7148 | |
568 | Q | B | -1.2332 | |
569 | V | B | 0.0000 | |
570 | Y | B | -0.5149 | |
571 | T | B | 0.0000 | |
572 | L | B | 0.0000 | |
573 | P | B | 0.0000 | |
574 | P | B | -0.6008 | |
575 | S | B | -0.7892 | |
576 | R | B | -0.9225 | |
577 | D | B | -1.2988 | |
578 | E | B | 0.0000 | |
579 | L | B | -0.2880 | |
580 | T | B | -0.6889 | |
581 | K | B | -1.4123 | |
582 | N | B | -2.1235 | |
583 | Q | B | -1.6363 | |
584 | V | B | -0.7469 | |
585 | S | B | 0.0000 | |
586 | L | B | 0.0000 | |
587 | T | B | 0.0000 | |
588 | C | B | 0.0000 | |
589 | L | B | 0.0000 | |
590 | V | B | 0.0000 | |
591 | K | B | 0.0000 | |
592 | G | B | 0.0000 | |
593 | F | B | 0.0000 | |
594 | Y | B | 0.0000 | |
595 | P | B | -0.5207 | |
596 | S | B | -0.9143 | |
597 | D | B | -0.8981 | |
598 | I | B | 0.0000 | |
599 | A | B | -0.5250 | |
600 | V | B | 0.0000 | |
601 | E | B | -1.0715 | |
602 | W | B | 0.0000 | |
603 | E | B | -2.6097 | |
604 | S | B | -1.9416 | |
605 | N | B | -1.8540 | |
606 | G | B | -1.8709 | |
607 | Q | B | -2.2417 | |
608 | P | B | -2.2677 | |
609 | E | B | -2.0868 | |
610 | N | B | -1.3196 | |
611 | N | B | -1.0210 | |
612 | Y | B | 0.0247 | |
613 | K | B | 0.0000 | |
614 | T | B | 0.2359 | |
615 | T | B | 0.0000 | |
616 | P | B | 0.0000 | |
617 | P | B | 0.1345 | |
618 | V | B | 0.0000 | |
619 | L | B | 1.5245 | |
620 | D | B | 0.4767 | |
621 | S | B | -0.2687 | |
622 | D | B | -1.0087 | |
623 | G | B | -0.9961 | |
624 | S | B | 0.0874 | |
625 | F | B | 0.4863 | |
626 | F | B | 0.0000 | |
627 | L | B | 0.2965 | |
628 | Y | B | 0.0000 | |
629 | S | B | 0.0000 | |
630 | K | B | 0.0000 | |
631 | L | B | 0.0000 | |
632 | T | B | -0.7953 | |
633 | V | B | -1.1844 | |
634 | D | B | -2.5169 | |
635 | K | B | -2.3257 | |
636 | S | B | -2.0709 | |
637 | R | B | -1.7157 | |
638 | W | B | -1.2713 | |
639 | Q | B | -2.0375 | |
640 | Q | B | -1.9985 | |
641 | G | B | -1.2661 | |
642 | N | B | -0.9091 | |
643 | V | B | 0.5063 | |
644 | F | B | 0.0000 | |
645 | S | B | -0.9205 | |
646 | C | B | 0.0000 | |
647 | S | B | 0.0000 | |
648 | V | B | 0.0000 | |
649 | M | B | -0.4241 | |
650 | H | B | 0.0000 | |
651 | E | B | -0.8701 | |
652 | A | B | -0.9871 | |
653 | L | B | -1.2903 | |
654 | H | B | -1.8642 | |
655 | N | B | -1.7355 | |
656 | H | B | -0.7947 | |
657 | Y | B | -0.4059 | |
658 | T | B | -0.7653 | |
659 | Q | B | -1.3024 | |
660 | K | B | 0.0000 | |
661 | S | B | -0.2776 | |
662 | L | B | 0.4907 | |
663 | S | B | 0.1445 | |
664 | L | B | -0.0370 | |
665 | S | B | 0.0000 | |
666 | P | B | -0.9865 | |
667 | G | B | -1.6382 | |
668 | K | B | -2.2786 |
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, -0.6571 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 | -0.6571 | View | CSV | PDB |
model_1 | -0.6964 | View | CSV | PDB |
model_8 | -0.7042 | View | CSV | PDB |
model_2 | -0.7106 | View | CSV | PDB |
model_4 | -0.747 | View | CSV | PDB |
model_7 | -0.7586 | View | CSV | PDB |
model_9 | -0.7604 | View | CSV | PDB |
model_5 | -0.762 | View | CSV | PDB |
model_11 | -0.784 | View | CSV | PDB |
model_0 | -0.7863 | View | CSV | PDB |
model_6 | -0.8034 | View | CSV | PDB |
model_10 | -0.8078 | View | CSV | PDB |
input | -0.9041 | View | CSV | PDB |