Aggrescan3D: 37efd89bd5e4ffd

Project name: 37efd89bd5e4ffd

Status: done

Started: 2026-04-03 03:26:11

Settings

Chain sequence(s)	A: LAFSPPFYPSPWANGQGEWAEAYQRAVAIVSQMTLDEKVNLTTGTGWELEKCVGQTGGVPRLNIGGMCLQDSPLGIRDSDYNSAFPAGVNVAATWDKNLAYLRGQAMGQEFSDKGIDVQLGPAAGPLGRSPDGGRNWEGFSPDPALTGVLFAETIKGIQDAGVVATAKHYILNEQEHFRQVAEAAGYGFNISDTISSNVDDKTIHEMYLWPFADAVRAGVGAIMCSYNQINNSYGCQNSYTLNKLLKAELGFQGFVMSDWGAHHSGVGSALAGLDMSMPGDITFDSATSFWGTNLTIAVLNGTVPQWRVDDMAVRIMAAYYKVGRDRLYQPPNFSSWTRDEYGFKYFYPQEGPYEKVNHFVNVQRNHSEVIRKLGADSTVLLKNNNALPLTGKERKVAILGEDAGSNSYGANGCSDRGCDNGTLAMAWGSGTAEFPYLVTPEQAIQAEVLKHKGSVYAITDNWALSQVETLAKQASVSLVFVNSDAGEGYISVDGNEGDRNNLTLWKNGDNLIKAAANNCNNTIVVIHSVGPVLVDEWYDHPNVTAILWAGLPGQESGNSLADVLYGRVNPGAKSPFTWGKTREAYGDYLVRELNNGNGAPQDDFSEGVFIDYRGFDKRNETPIYEFGHGLSYTTFNYSGLHIQVLNAVATETGAAPTFGQVGNASDYVYPEGLTRISKFIYPWLNSTDLKASSGDPYYGVDTAEHVPEGATDGSPQPVLPAGGGSGGNPRLYDELIRVSVTVKNTGRVAGDAVPQLYVSLGGPNEPKVVLRKFDRLTLKPSEETVWTTTLTRRDLSNWDVAAQDWVITSYPKKVHVGSSSRQLPLHAALPKVQ input PDB
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	Yes
Downloads	Download all the data

Simulation log

Toggle log display

[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 A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:52)
[INFO]       Auto_mut: Residue number 24 from chain A and a score of 1.915 (phenylalanine)         
                       selected for automated muatation                                            (00:06:00)
[INFO]       Auto_mut: Residue number 675 from chain A and a score of 1.783 (valine) selected for  
                       automated muatation                                                         (00:06:00)
[INFO]       Auto_mut: Residue number 812 from chain A and a score of 1.766 (valine) selected for  
                       automated muatation                                                         (00:06:00)
[INFO]       Auto_mut: Residue number 22 from chain A and a score of 1.551 (leucine) selected for  
                       automated muatation                                                         (00:06:00)
[INFO]       Auto_mut: Residue number 666 from chain A and a score of 1.493 (valine) selected for  
                       automated muatation                                                         (00:06:00)
[INFO]       Auto_mut: Residue number 724 from chain A and a score of 1.311 (tyrosine) selected    
                       for automated muatation                                                     (00:06:00)
[INFO]       Auto_mut: Mutating residue number 675 from chain A (valine) into glutamic acid        (00:06:00)
[INFO]       Auto_mut: Mutating residue number 24 from chain A (phenylalanine) into glutamic acid  
                       Mutating residue number 24 from chain A (phenylalanine) into glutamic acid  (00:06:00)
[INFO]       Auto_mut: Mutating residue number 24 from chain A (phenylalanine) into aspartic acid  
                       Mutating residue number 24 from chain A (phenylalanine) into aspartic acid  (00:06:00)
[INFO]       Auto_mut: Mutating residue number 24 from chain A (phenylalanine) into arginine       (00:09:20)
[INFO]       Auto_mut: Mutating residue number 24 from chain A (phenylalanine) into lysine         (00:09:22)
[INFO]       Auto_mut: Mutating residue number 675 from chain A (valine) into lysine               (00:09:31)
[INFO]       Auto_mut: Mutating residue number 675 from chain A (valine) into aspartic acid        (00:12:48)
[INFO]       Auto_mut: Mutating residue number 812 from chain A (valine) into glutamic acid        (00:12:51)
[INFO]       Auto_mut: Mutating residue number 812 from chain A (valine) into aspartic acid        (00:13:00)
[INFO]       Auto_mut: Mutating residue number 675 from chain A (valine) into arginine             (00:16:07)
[INFO]       Auto_mut: Mutating residue number 812 from chain A (valine) into lysine               (00:16:12)
[INFO]       Auto_mut: Mutating residue number 812 from chain A (valine) into arginine             (00:16:18)
[INFO]       Auto_mut: Mutating residue number 22 from chain A (leucine) into glutamic acid        (00:19:25)
[INFO]       Auto_mut: Mutating residue number 22 from chain A (leucine) into aspartic acid        (00:19:42)
[INFO]       Auto_mut: Mutating residue number 666 from chain A (valine) into glutamic acid        (00:19:51)
[INFO]       Auto_mut: Mutating residue number 22 from chain A (leucine) into lysine               (00:22:40)
[INFO]       Auto_mut: Mutating residue number 22 from chain A (leucine) into arginine             (00:23:11)
[INFO]       Auto_mut: Mutating residue number 666 from chain A (valine) into lysine               (00:23:13)
[INFO]       Auto_mut: Mutating residue number 666 from chain A (valine) into aspartic acid        (00:26:06)
[INFO]       Auto_mut: Mutating residue number 724 from chain A (tyrosine) into glutamic acid      (00:26:37)
[INFO]       Auto_mut: Mutating residue number 724 from chain A (tyrosine) into aspartic acid      (00:26:42)
[INFO]       Auto_mut: Mutating residue number 666 from chain A (valine) into arginine             (00:29:30)
[INFO]       Auto_mut: Mutating residue number 724 from chain A (tyrosine) into arginine           (00:29:56)
[INFO]       Auto_mut: Mutating residue number 724 from chain A (tyrosine) into lysine             (00:30:15)
[INFO]       Auto_mut: Effect of mutation residue number 24 from chain A (phenylalanine) into      
                       glutamic acid: Energy difference: 0.6581 kcal/mol, Difference in average    
                       score from the base case: -0.0068                                           (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 24 from chain A (phenylalanine) into      
                       lysine: Energy difference: 0.5746 kcal/mol, Difference in average score     
                       from the base case: -0.0067                                                 (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 24 from chain A (phenylalanine) into      
                       aspartic acid: Energy difference: 1.2307 kcal/mol, Difference in average    
                       score from the base case: -0.0067                                           (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 24 from chain A (phenylalanine) into      
                       arginine: Energy difference: 0.6512 kcal/mol, Difference in average score   
                       from the base case: -0.0067                                                 (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 675 from chain A (valine) into glutamic   
                       acid: Energy difference: 0.1884 kcal/mol, Difference in average score from  
                       the base case: -0.0044                                                      (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 675 from chain A (valine) into lysine:    
                       Energy difference: 0.1695 kcal/mol, Difference in average score from the    
                       base case: -0.0042                                                          (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 675 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.5277 kcal/mol, Difference in average score from  
                       the base case: -0.0048                                                      (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 675 from chain A (valine) into arginine:  
                       Energy difference: 0.3084 kcal/mol, Difference in average score from the    
                       base case: -0.0050                                                          (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 812 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.4109 kcal/mol, Difference in average score from 
                       the base case: -0.0057                                                      (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 812 from chain A (valine) into lysine:    
                       Energy difference: -0.5093 kcal/mol, Difference in average score from the   
                       base case: -0.0055                                                          (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 812 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.5597 kcal/mol, Difference in average score from 
                       the base case: -0.0056                                                      (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 812 from chain A (valine) into arginine:  
                       Energy difference: -0.4235 kcal/mol, Difference in average score from the   
                       base case: -0.0056                                                          (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 22 from chain A (leucine) into glutamic   
                       acid: Energy difference: 0.5856 kcal/mol, Difference in average score from  
                       the base case: -0.0047                                                      (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 22 from chain A (leucine) into lysine:    
                       Energy difference: 0.3835 kcal/mol, Difference in average score from the    
                       base case: -0.0044                                                          (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 22 from chain A (leucine) into aspartic   
                       acid: Energy difference: 0.6410 kcal/mol, Difference in average score from  
                       the base case: -0.0048                                                      (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 22 from chain A (leucine) into arginine:  
                       Energy difference: -0.1605 kcal/mol, Difference in average score from the   
                       base case: -0.0045                                                          (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 666 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.4492 kcal/mol, Difference in average score from 
                       the base case: -0.0056                                                      (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 666 from chain A (valine) into lysine:    
                       Energy difference: -0.7142 kcal/mol, Difference in average score from the   
                       base case: -0.0057                                                          (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 666 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.0937 kcal/mol, Difference in average score from  
                       the base case: -0.0068                                                      (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 666 from chain A (valine) into arginine:  
                       Energy difference: -1.0356 kcal/mol, Difference in average score from the   
                       base case: -0.0055                                                          (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 724 from chain A (tyrosine) into glutamic 
                       acid: Energy difference: 0.6223 kcal/mol, Difference in average score from  
                       the base case: -0.0045                                                      (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 724 from chain A (tyrosine) into lysine:  
                       Energy difference: -0.0089 kcal/mol, Difference in average score from the   
                       base case: -0.0046                                                          (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 724 from chain A (tyrosine) into aspartic 
                       acid: Energy difference: 0.5392 kcal/mol, Difference in average score from  
                       the base case: -0.0039                                                      (00:33:51)
[INFO]       Auto_mut: Effect of mutation residue number 724 from chain A (tyrosine) into          
                       arginine: Energy difference: -0.1661 kcal/mol, Difference in average score  
                       from the base case: -0.0050                                                 (00:33:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:34:06)

Note Your prediction results will be deleted after 360 days.

Drag cursor over the plot to display residue labels.

Show buried residues

Minimal score value: -2.1866
Maximal score value: 1.9154
Average score: -0.1904
Total score value: -158.8107

Download the table (csv)

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	mutation
22	L	A	1.5508
23	A	A	0.6451
24	F	A	1.9154
25	S	A	0.3026
26	P	A	-0.1725
27	P	A	-0.2037
28	F	A	0.3886
29	Y	A	0.2678
30	P	A	0.0000
31	S	A	0.0000
32	P	A	-0.0381
33	W	A	0.0000
34	A	A	0.0000
35	N	A	-1.2844
36	G	A	-0.3440
37	Q	A	-0.3787
38	G	A	-0.6742
39	E	A	-0.9443
40	W	A	0.0000
41	A	A	-0.3156
42	E	A	-1.8138
43	A	A	0.0000
44	Y	A	-0.0233
45	Q	A	-1.3870
46	R	A	-1.4426
47	A	A	0.0000
48	V	A	0.2361
49	A	A	0.1192
50	I	A	0.2462
51	V	A	0.0000
52	S	A	-0.2919
53	Q	A	-1.0977
54	M	A	0.0000
55	T	A	-0.0247
56	L	A	0.0000
57	D	A	-0.2424
58	E	A	-0.2210
59	K	A	0.0000
60	V	A	0.0000
61	N	A	-0.2121
62	L	A	0.0000
63	T	A	0.0000
64	T	A	0.0000
65	G	A	0.0000
66	T	A	0.0000
67	G	A	0.0000
68	W	A	0.1130
69	E	A	-0.2529
70	L	A	0.0000
71	E	A	-0.2769
72	K	A	-0.2447
73	C	A	0.0000
74	V	A	0.0000
75	G	A	0.0000
76	Q	A	0.0000
77	T	A	0.0000
78	G	A	-0.1730
79	G	A	0.0000
80	V	A	0.0000
81	P	A	-0.7341
82	R	A	-1.8460
83	L	A	-0.3303
84	N	A	-1.2596
85	I	A	0.0000
86	G	A	-0.1192
87	G	A	-0.1104
88	M	A	0.0000
89	C	A	0.0000
90	L	A	0.0000
91	Q	A	0.0000
92	D	A	0.0000
93	S	A	0.0000
94	P	A	0.0000
95	L	A	0.0000
96	G	A	0.0000
97	I	A	0.0000
98	R	A	-0.2361
99	D	A	-0.3359
100	S	A	0.0000
101	D	A	-0.3927
102	Y	A	0.4832
103	N	A	0.0000
104	S	A	0.0000
105	A	A	0.0000
106	F	A	0.0000
107	P	A	0.0000
108	A	A	0.0000
109	G	A	0.0000
110	V	A	0.0000
111	N	A	0.0000
112	V	A	0.0000
113	A	A	0.0000
114	A	A	0.0000
115	T	A	0.0000
116	W	A	0.0000
117	D	A	-0.3162
118	K	A	-0.7342
119	N	A	-1.3573
120	L	A	0.0000
121	A	A	0.0000
122	Y	A	0.3125
123	L	A	0.6732
124	R	A	0.0000
125	G	A	0.0000
126	Q	A	-0.3160
127	A	A	0.0000
128	M	A	0.0000
129	G	A	0.0000
130	Q	A	-0.3044
131	E	A	0.0000
132	F	A	0.0000
133	S	A	-0.1366
134	D	A	-0.6222
135	K	A	0.0000
136	G	A	0.0000
137	I	A	0.0000
138	D	A	0.0000
139	V	A	0.0000
140	Q	A	0.0000
141	L	A	0.0000
142	G	A	0.0000
143	P	A	0.0000
144	A	A	0.0000
145	A	A	0.0000
146	G	A	0.0000
147	P	A	0.0000
148	L	A	0.0000
149	G	A	-0.0491
150	R	A	0.0000
151	S	A	0.0000
152	P	A	-0.0295
153	D	A	0.0000
154	G	A	0.0000
155	G	A	0.0000
156	R	A	0.0000
157	N	A	0.0000
158	W	A	0.0000
159	E	A	0.0000
160	G	A	0.0000
161	F	A	0.0000
162	S	A	0.0000
163	P	A	0.0000
164	D	A	0.0000
165	P	A	0.0000
166	A	A	0.0000
167	L	A	0.0000
168	T	A	0.0000
169	G	A	0.0000
170	V	A	0.4231
171	L	A	0.0000
172	F	A	0.0000
173	A	A	-0.0615
174	E	A	-0.3491
175	T	A	0.0000
176	I	A	0.0000
177	K	A	-1.0044
178	G	A	0.0000
179	I	A	0.0000
180	Q	A	-0.4402
181	D	A	-1.8092
182	A	A	-0.3172
183	G	A	0.0000
184	V	A	0.0000
185	V	A	0.0000
186	A	A	0.0000
187	T	A	0.0000
188	A	A	0.0000
189	K	A	0.0000
190	H	A	0.0000
191	Y	A	0.0000
192	I	A	0.0000
193	L	A	0.0000
194	N	A	0.0000
195	E	A	0.0000
196	Q	A	0.0000
197	E	A	0.0000
198	H	A	-0.1065
199	F	A	0.0000
200	R	A	0.0000
201	Q	A	-0.0542
202	V	A	0.5828
203	A	A	0.1123
204	E	A	-0.3019
205	A	A	0.0000
206	A	A	-0.0389
207	G	A	-0.3869
208	Y	A	0.2101
209	G	A	-0.3325
210	F	A	0.0130
211	N	A	-1.2146
212	I	A	0.0000
213	S	A	-0.3400
214	D	A	-0.6766
215	T	A	0.0000
216	I	A	0.0000
217	S	A	0.0000
218	S	A	0.0000
219	N	A	-0.3207
220	V	A	-0.0734
221	D	A	-1.5221
222	D	A	-0.6530
223	K	A	-0.4630
224	T	A	0.0000
225	I	A	0.0000
226	H	A	0.0000
227	E	A	-0.1957
228	M	A	0.0000
229	Y	A	0.0000
230	L	A	0.0000
231	W	A	0.0000
232	P	A	0.0000
233	F	A	0.0000
234	A	A	0.0000
235	D	A	-0.2006
236	A	A	0.0000
237	V	A	0.0000
238	R	A	-0.8680
239	A	A	-0.1515
240	G	A	0.0000
241	V	A	0.0000
242	G	A	0.0000
243	A	A	0.0000
244	I	A	0.0000
245	M	A	0.0000
246	C	A	0.0000
247	S	A	0.0000
248	Y	A	0.0000
249	N	A	0.0000
250	Q	A	0.0000
251	I	A	0.0000
252	N	A	-0.0867
253	N	A	-0.3406
254	S	A	-0.1046
255	Y	A	0.0000
256	G	A	0.0000
257	C	A	0.0000
258	Q	A	-0.2845
259	N	A	0.0000
260	S	A	0.0000
261	Y	A	0.1951
262	T	A	0.0000
263	L	A	0.0000
264	N	A	0.0000
265	K	A	-0.1499
266	L	A	0.0000
267	L	A	0.0000
268	K	A	0.0000
269	A	A	-0.0078
270	E	A	0.0000
271	L	A	0.0000
272	G	A	-0.0496
273	F	A	0.0000
274	Q	A	0.0000
275	G	A	0.0000
276	F	A	0.0000
277	V	A	0.0000
278	M	A	0.0000
279	S	A	0.0000
280	D	A	0.0000
281	W	A	0.1024
282	G	A	-0.1037
283	A	A	0.0000
284	H	A	0.0000
285	H	A	-0.2943
286	S	A	-0.1077
287	G	A	0.0644
288	V	A	0.4509
289	G	A	-0.0678
290	S	A	0.0000
291	A	A	0.0000
292	L	A	0.0000
293	A	A	0.0000
294	G	A	0.0000
295	L	A	0.0000
296	D	A	0.0000
297	M	A	0.0000
298	S	A	0.0000
299	M	A	0.0000
300	P	A	0.0000
301	G	A	0.0000
302	D	A	0.0000
303	I	A	0.5974
304	T	A	0.1837
305	F	A	0.6691
306	D	A	-0.3929
307	S	A	-0.1877
308	A	A	-0.0791
309	T	A	-0.0365
310	S	A	0.0000
311	F	A	0.3568
312	W	A	0.0000
313	G	A	0.0000
314	T	A	-0.0532
315	N	A	-0.2374
316	L	A	0.0000
317	T	A	0.0000
318	I	A	0.0000
319	A	A	0.0000
320	V	A	0.0000
321	L	A	0.1561
322	N	A	-0.6761
323	G	A	-0.5860
324	T	A	-0.0961
325	V	A	0.0000
326	P	A	-0.0733
327	Q	A	-0.2264
328	W	A	0.0000
329	R	A	0.0000
330	V	A	0.0000
331	D	A	0.0000
332	D	A	0.0000
333	M	A	0.0000
334	A	A	0.0000
335	V	A	0.0000
336	R	A	0.0000
337	I	A	0.0000
338	M	A	0.0000
339	A	A	0.0000
340	A	A	0.0000
341	Y	A	0.0000
342	Y	A	0.0009
343	K	A	-0.6086
344	V	A	0.0590
345	G	A	0.0000
346	R	A	0.0000
347	D	A	-0.7679
348	R	A	-1.7591
349	L	A	0.6300
350	Y	A	0.1942
351	Q	A	-1.2006
352	P	A	-0.4738
353	P	A	0.0000
354	N	A	-0.2023
355	F	A	0.0000
356	S	A	0.0000
357	S	A	0.0000
358	W	A	0.1565
359	T	A	-0.1096
360	R	A	-1.0054
361	D	A	-2.1866
362	E	A	-1.6450
363	Y	A	0.4175
364	G	A	0.2623
365	F	A	0.9163
366	K	A	-0.8381
367	Y	A	0.0750
368	F	A	0.5923
369	Y	A	0.7513
370	P	A	-0.1042
371	Q	A	-1.0549
372	E	A	-0.7810
373	G	A	-0.3364
374	P	A	-0.0497
375	Y	A	1.0630
376	E	A	-1.7328
377	K	A	-1.0716
378	V	A	0.0000
379	N	A	0.0000
380	H	A	-0.5522
381	F	A	0.8103
382	V	A	0.5222
383	N	A	-1.0814
384	V	A	0.0000
385	Q	A	-0.4874
386	R	A	-2.1027
387	N	A	-1.6066
388	H	A	0.0000
389	S	A	-0.3622
390	E	A	-1.7820
391	V	A	-0.0920
392	I	A	0.0000
393	R	A	-0.8112
394	K	A	-1.1861
395	L	A	0.0000
396	G	A	0.0000
397	A	A	0.0000
398	D	A	0.0000
399	S	A	0.0000
400	T	A	0.0000
401	V	A	0.0000
402	L	A	0.0000
403	L	A	0.0000
404	K	A	-0.3631
405	N	A	-0.5726
406	N	A	-1.5618
407	N	A	-1.5090
408	A	A	-0.2174
409	L	A	0.0000
410	P	A	-0.1452
411	L	A	0.0000
412	T	A	-0.0709
413	G	A	0.0000
414	K	A	-1.7431
415	E	A	-0.8762
416	R	A	-1.9575
417	K	A	-0.7301
418	V	A	0.0000
419	A	A	0.0000
420	I	A	0.0000
421	L	A	0.0000
422	G	A	0.0000
423	E	A	-0.2760
424	D	A	0.0000
425	A	A	0.0000
426	G	A	0.0000
427	S	A	-0.2368
428	N	A	-0.2082
429	S	A	0.0055
430	Y	A	1.1843
431	G	A	-0.0724
432	A	A	-0.1538
433	N	A	-0.7057
434	G	A	-0.3061
435	C	A	-0.0263
436	S	A	-0.2671
437	D	A	-0.4078
438	R	A	0.0000
439	G	A	-0.1048
440	C	A	0.0780
441	D	A	0.0000
442	N	A	-0.3251
443	G	A	0.0000
444	T	A	0.0000
445	L	A	0.0000
446	A	A	0.0000
447	M	A	0.0000
448	A	A	0.0000
449	W	A	0.0000
450	G	A	0.0000
451	S	A	-0.0258
452	G	A	0.0000
453	T	A	0.0000
454	A	A	0.0000
455	E	A	-0.3638
456	F	A	0.0000
457	P	A	0.0125
458	Y	A	0.5906
459	L	A	0.3439
460	V	A	0.2984
461	T	A	0.0000
462	P	A	0.0000
463	E	A	-0.5834
464	Q	A	-0.9107
465	A	A	0.0000
466	I	A	0.0000
467	Q	A	-0.6375
468	A	A	-0.0959
469	E	A	-0.1665
470	V	A	0.0000
471	L	A	0.5773
472	K	A	-1.5408
473	H	A	-0.8528
474	K	A	-1.6380
475	G	A	-0.4148
476	S	A	-0.0852
477	V	A	0.3644
478	Y	A	1.0579
479	A	A	0.2601
480	I	A	0.2586
481	T	A	-0.3568
482	D	A	-1.7951
483	N	A	0.0000
484	W	A	1.1882
485	A	A	0.2878
486	L	A	0.3007
487	S	A	-0.3686
488	Q	A	-1.2369
489	V	A	0.0000
490	E	A	-0.7188
491	T	A	-0.1833
492	L	A	0.0000
493	A	A	0.0000
494	K	A	-1.9389
495	Q	A	-1.5050
496	A	A	-0.2720
497	S	A	-0.0936
498	V	A	0.0000
499	S	A	0.0000
500	L	A	0.0000
501	V	A	0.0000
502	F	A	0.0000
503	V	A	0.0000
504	N	A	0.0000
505	S	A	0.0000
506	D	A	0.0000
507	A	A	0.0000
508	G	A	0.0000
509	E	A	0.0000
510	G	A	0.0000
511	Y	A	0.6207
512	I	A	0.3562
513	S	A	-0.0675
514	V	A	-0.1457
515	D	A	-1.8399
516	G	A	-0.7978
517	N	A	0.0000
518	E	A	-0.3303
519	G	A	0.0000
520	D	A	0.0000
521	R	A	0.0000
522	N	A	-1.1757
523	N	A	-1.3087
524	L	A	0.0000
525	T	A	-0.0283
526	L	A	0.0000
527	W	A	0.0548
528	K	A	-0.3720
529	N	A	-0.2856
530	G	A	0.0000
531	D	A	-0.5365
532	N	A	-1.3281
533	L	A	0.0000
534	I	A	0.0000
535	K	A	-0.6655
536	A	A	0.0000
537	A	A	0.0000
538	A	A	0.0000
539	N	A	-1.3122
540	N	A	-0.6231
541	C	A	0.0000
542	N	A	-1.3471
543	N	A	-0.5227
544	T	A	0.0000
545	I	A	0.0000
546	V	A	0.0000
547	V	A	0.0000
548	I	A	0.0000
549	H	A	0.0000
550	S	A	0.0000
551	V	A	0.0000
552	G	A	0.0000
553	P	A	0.0000
554	V	A	0.0000
555	L	A	0.2952
556	V	A	0.0000
557	D	A	-1.7984
558	E	A	-2.0816
559	W	A	0.0000
560	Y	A	-0.0607
561	D	A	-1.7696
562	H	A	-0.5314
563	P	A	-0.3121
564	N	A	-0.3745
565	V	A	0.0000
566	T	A	-0.0074
567	A	A	0.0000
568	I	A	0.0000
569	L	A	0.0000
570	W	A	0.0000
571	A	A	0.0000
572	G	A	0.0000
573	L	A	0.0000
574	P	A	0.0000
575	G	A	0.0000
576	Q	A	0.0000
577	E	A	0.0000
578	S	A	0.0000
579	G	A	0.0000
580	N	A	-0.2695
581	S	A	0.0000
582	L	A	0.0000
583	A	A	0.0000
584	D	A	0.0000
585	V	A	0.0000
586	L	A	0.0000
587	Y	A	0.0968
588	G	A	-0.4620
589	R	A	-1.4681
590	V	A	-0.0801
591	N	A	-0.1133
592	P	A	0.0000
593	G	A	0.0000
594	A	A	0.0000
595	K	A	-0.1703
596	S	A	0.0000
597	P	A	0.0000
598	F	A	0.0000
599	T	A	0.0000
600	W	A	0.0000
601	G	A	0.0000
602	K	A	-0.7852
603	T	A	-0.2161
604	R	A	-0.5262
605	E	A	-1.8545
606	A	A	0.0000
607	Y	A	0.0000
608	G	A	-0.1008
609	D	A	0.0000
610	Y	A	1.0031
611	L	A	0.0000
612	V	A	0.1318
613	R	A	-0.7651
614	E	A	-1.8450
615	L	A	-0.2400
616	N	A	-1.3093
617	N	A	-0.8473
618	G	A	-0.8019
619	N	A	-1.3799
620	G	A	-0.3623
621	A	A	0.0000
622	P	A	0.0000
623	Q	A	-0.1249
624	D	A	0.0000
625	D	A	-1.8045
626	F	A	0.0000
627	S	A	-0.2738
628	E	A	-0.3860
629	G	A	-0.1300
630	V	A	0.0000
631	F	A	0.0000
632	I	A	0.0000
633	D	A	0.0000
634	Y	A	0.0000
635	R	A	0.0000
636	G	A	0.0000
637	F	A	0.0000
638	D	A	0.0000
639	K	A	-1.7496
640	R	A	-1.4446
641	N	A	-1.5503
642	E	A	-0.8582
643	T	A	-0.1879
644	P	A	0.0000
645	I	A	0.2340
646	Y	A	0.0000
647	E	A	-0.1782
648	F	A	0.0000
649	G	A	0.0000
650	H	A	-0.1082
651	G	A	0.0015
652	L	A	0.4852
653	S	A	0.0837
654	Y	A	0.1706
655	T	A	0.0000
656	T	A	-0.0051
657	F	A	0.1755
658	N	A	-1.0248
659	Y	A	0.0000
660	S	A	-0.2108
661	G	A	-0.2627
662	L	A	-0.0203
663	H	A	-0.8668
664	I	A	0.0627
665	Q	A	-0.7796
666	V	A	1.4929
667	L	A	0.3327
668	N	A	-1.2186
669	A	A	-0.1607
675	V	A	1.7833
676	A	A	0.3642
677	T	A	-0.3855
678	E	A	-1.8706
679	T	A	-0.4566
680	G	A	-0.4741
681	A	A	-0.0599
682	A	A	-0.0081
683	P	A	-0.0884
684	T	A	-0.0352
685	F	A	0.1641
686	G	A	-0.3891
687	Q	A	-1.1368
688	V	A	0.2484
689	G	A	-0.4763
690	N	A	-1.3343
691	A	A	-0.2597
692	S	A	-0.5328
693	D	A	-1.8276
694	Y	A	0.0000
695	V	A	0.4939
696	Y	A	0.2555
697	P	A	-0.4156
698	E	A	-1.9264
699	G	A	-0.7105
700	L	A	0.4249
701	T	A	-0.2508
702	R	A	-1.5102
703	I	A	-0.0823
704	S	A	-0.1758
705	K	A	-0.6467
706	F	A	0.1412
707	I	A	0.0000
708	Y	A	0.1459
709	P	A	0.0000
710	W	A	0.1810
711	L	A	0.0000
712	N	A	-1.2895
713	S	A	-0.3329
714	T	A	-0.3895
715	D	A	-1.5708
716	L	A	-0.3365
717	K	A	-1.6409
718	A	A	-0.2549
719	S	A	-0.0157
720	S	A	-0.1111
721	G	A	-0.6261
722	D	A	-1.0013
723	P	A	-0.1830
724	Y	A	1.3107
725	Y	A	0.3747
726	G	A	-0.2741
727	V	A	0.4201
728	D	A	-1.6450
729	T	A	-0.3430
730	A	A	-0.2870
731	E	A	-1.9865
732	H	A	-1.2568
733	V	A	0.1207
734	P	A	-0.3531
735	E	A	-1.8494
736	G	A	-0.3948
737	A	A	0.0000
738	T	A	-0.1851
739	D	A	-0.8011
740	G	A	-0.2690
741	S	A	-0.1689
742	P	A	-0.2247
743	Q	A	-0.2501
744	P	A	-0.4501
745	V	A	0.3837
746	L	A	0.2461
747	P	A	-0.1903
748	A	A	0.0000
749	G	A	0.0000
750	G	A	-0.1506
751	G	A	0.0000
752	S	A	-0.1210
753	G	A	0.0000
754	G	A	0.0000
755	N	A	-0.2149
756	P	A	-0.4168
757	R	A	-1.6506
758	L	A	0.0000
759	Y	A	0.1429
760	D	A	-0.3782
761	E	A	-1.2358
762	L	A	0.0000
763	I	A	0.0000
764	R	A	-0.8412
765	V	A	0.0000
766	S	A	-0.0446
767	V	A	0.0000
768	T	A	0.2198
769	V	A	0.0000
770	K	A	-0.8596
771	N	A	0.0000
772	T	A	-0.0358
773	G	A	-0.4007
774	R	A	-1.6521
775	V	A	0.7637
776	A	A	-0.0529
777	G	A	0.0000
778	D	A	-0.3117
779	A	A	0.0000
780	V	A	0.0000
781	P	A	0.0000
782	Q	A	0.0000
783	L	A	0.0000
784	Y	A	0.0000
785	V	A	0.0000
786	S	A	-0.0123
787	L	A	0.0000
788	G	A	-0.1323
789	G	A	-0.2212
790	P	A	-0.5200
791	N	A	-1.3718
792	E	A	-0.5162
793	P	A	0.0000
794	K	A	-1.6678
795	V	A	-0.1281
796	V	A	0.0000
797	L	A	0.0000
798	R	A	0.0000
799	K	A	-0.2937
800	F	A	0.0000
801	D	A	-0.4601
802	R	A	-0.2512
803	L	A	0.2119
804	T	A	-0.0664
805	L	A	0.0000
806	K	A	-1.7139
807	P	A	-0.4398
808	S	A	-0.4330
809	E	A	-1.4584
810	E	A	-2.1073
811	T	A	-0.0404
812	V	A	1.7663
813	W	A	0.0000
814	T	A	-0.0572
815	T	A	-0.0199
816	T	A	-0.1312
817	L	A	0.0000
818	T	A	-0.2391
819	R	A	-0.2683
820	R	A	0.0000
821	D	A	0.0000
822	L	A	0.0000
823	S	A	0.0000
824	N	A	0.0000
825	W	A	0.0000
826	D	A	-0.3337
827	V	A	1.2488
828	A	A	0.3032
829	A	A	0.0070
830	Q	A	-0.1377
831	D	A	-0.4202
832	W	A	0.1248
833	V	A	0.5214
834	I	A	0.2885
835	T	A	-0.0179
836	S	A	-0.0460
837	Y	A	0.8379
838	P	A	-0.0891
839	K	A	0.0000
840	K	A	-0.9959
841	V	A	0.0000
842	H	A	-0.2427
843	V	A	0.0000
844	G	A	0.0000
845	S	A	-0.0622
846	S	A	0.0000
847	S	A	0.0000
848	R	A	-1.0131
849	Q	A	-1.0753
850	L	A	-0.0333
851	P	A	-0.1811
852	L	A	-0.0055
853	H	A	-0.9626
854	A	A	-0.1591
855	A	A	-0.0562
856	L	A	0.1428
857	P	A	-0.4053
858	K	A	-1.6874
859	V	A	-0.3458
860	Q	A	-1.1643

3Dmol can be expensive computationally for big molecules. If you experience lag or delay click on the "Play the video" button instead.

Download PDB file

View in 3Dmol

Start animation

Play the video

Automated mutations analysis

In the automated mutations mode, the server selects aggregation prone resides and each selected residue is mutated to glutamic acid, lysine, aspartic acid and arginine. The table below shows 2 best scored mutants for each mutated residue. Protein variants are ordered according to the mutation effect they had on protein stability (energetic effect) together with the difference in the average per-residue aggregation score between the wild type and the mutant (in the table green values indicate a positive change, grey are neutral, and orange/red mean destabilizing or more aggregation prone mutants).
Summary for all the mutants can be found in this CSV file.

Mutant	Energetic effect	Score comparison
VR666A	-1.0356	-0.0055	View	CSV	PDB
VK666A	-0.7142	-0.0057	View	CSV	PDB
VD812A	-0.5597	-0.0056	View	CSV	PDB
VK812A	-0.5093	-0.0055	View	CSV	PDB
YR724A	-0.1661	-0.005	View	CSV	PDB
LR22A	-0.1605	-0.0045	View	CSV	PDB
YK724A	-0.0089	-0.0046	View	CSV	PDB
VK675A	0.1695	-0.0042	View	CSV	PDB
VE675A	0.1884	-0.0044	View	CSV	PDB
FK24A	0.5746	-0.0067	View	CSV	PDB
LK22A	0.3835	-0.0044	View	CSV	PDB
FE24A	0.6581	-0.0068	View	CSV	PDB

Project name: 37efd89bd5e4ffd

Status: done

Started: 2026-04-03 03:26:11

Automated mutations analysis

Mutant

Energetic effect

Score comparison