Aggrescan3D: 123

Project name: 123

Status: done

Started: 2025-12-24 06:21:04

Settings

Chain sequence(s)	A: MGSMQLEKTNFKNKGIVSLETGYTITKVRTAINKNKSYVVATTFEGAVLGVAYDGKVLWKNKLSGFMNHDIWSKDINGDGVDEIVTANADGTIYCLNSKGKLLWKFKKNSAPMYAVCVIKKEGKAYVVAGGFDKSIYYISSTGEMVKEIKSSTYSIEKPWAKFKKDLPESNVSTANFLRPIPQKNGDDVLAVLGTNNHMNVPGTMYLFNALENLPFRKDKIAIKGKRVRVIGSFTVEDYATKGEQMVILGTSAHSNDSAILLYNPQTGKVTYHKNTKIPFGYDVTHTVTIKENNKTLFLTRVRNQIRLLDLNLNEKKVERIIGKYAYNDLWKDPKTGYVILASAQSGGSSIHIINTKSKSWKKDFEKLTPPGKIESIIANTKATRADLQKYTPVKTKRKQLPVYLMTEKVPSTLEPLKTEIEKKYPTPVFLNSKHLPEVENWDRSSLTNEKFRKKRDRRKKYVLSQQQLEGSAVDLITKEYNNAPGLAYWAGHGNDPYMFSLATTKKVLDAANGKKTVLIYPEMEDHSEDLNFMVNNLLYPLATYAKDKNANIFLRSKNVFWLGSNYLDAWSGLMSGTYADVFVPAMEETTDKTMELSLAGRTGMWASGAVNSWGTRAVPDNTAFDRSRQYGSQQLPNHFLRMLIFHTANGAQYINNFAVDQEYVSVYWELIAKGVLFVPKREEIVSFSPVHLSMKSPDEHFLDDGSNVKWTIKYNEEFEKNNPFVFSRMNGSWPGAPVTEWDFSNYAAGVNERRLNFLAPYNNGLVLITPPQQGVFAAKNVDRGSLESYLHPLYKNITKEYITDGKSYFSKDGKQVYSADTYYKTVEKSIKESAKLLPITVTGDVAWVVAQIAPKTLRITLIDSGYLNPSNKQATVKFNTVTPVKITDVLNKETFKVKAVNASTTINIPLGLFRFIDVELTKELKLELEDDDDDDDVEHHHHHH input PDB
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	Yes
Downloads	Download all the data

Simulation log

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[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:21:48)
[INFO]       Auto_mut: Residue number 280 from chain A and a score of 1.616 (phenylalanine)        
                       selected for automated muatation                                            (00:22:03)
[INFO]       Auto_mut: Residue number 216 from chain A and a score of 1.085 (phenylalanine)        
                       selected for automated muatation                                            (00:22:03)
[INFO]       Auto_mut: Residue number 817 from chain A and a score of 1.038 (valine) selected for  
                       automated muatation                                                         (00:22:03)
[INFO]       Auto_mut: Residue number 901 from chain A and a score of 0.945 (valine) selected for  
                       automated muatation                                                         (00:22:03)
[INFO]       Auto_mut: Residue number 818 from chain A and a score of 0.768 (tyrosine) selected    
                       for automated muatation                                                     (00:22:03)
[INFO]       Auto_mut: Residue number 394 from chain A and a score of 0.679 (valine) selected for  
                       automated muatation                                                         (00:22:03)
[INFO]       Auto_mut: Mutating residue number 280 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 280 from chain A (phenylalanine) into glutamic acid (00:22:03)
[INFO]       Auto_mut: Mutating residue number 280 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 280 from chain A (phenylalanine) into aspartic acid (00:22:03)
[INFO]       Auto_mut: Mutating residue number 216 from chain A (phenylalanine) into glutamic acid 
                       Mutating residue number 216 from chain A (phenylalanine) into glutamic acid (00:22:03)
[INFO]       Auto_mut: Mutating residue number 216 from chain A (phenylalanine) into lysine        (00:33:34)
[INFO]       Auto_mut: Mutating residue number 280 from chain A (phenylalanine) into arginine      (00:33:35)
[INFO]       Auto_mut: Mutating residue number 280 from chain A (phenylalanine) into lysine        (00:33:41)
[INFO]       Auto_mut: Mutating residue number 216 from chain A (phenylalanine) into aspartic acid 
                       Mutating residue number 216 from chain A (phenylalanine) into aspartic acid (00:45:32)
[INFO]       Auto_mut: Mutating residue number 817 from chain A (valine) into glutamic acid        (00:45:56)
[INFO]       Auto_mut: Mutating residue number 817 from chain A (valine) into aspartic acid        (00:46:17)
[INFO]       Auto_mut: Mutating residue number 216 from chain A (phenylalanine) into arginine      (00:57:01)
[INFO]       Auto_mut: Mutating residue number 817 from chain A (valine) into lysine               (00:57:09)
[INFO]       Auto_mut: Mutating residue number 817 from chain A (valine) into arginine             (00:57:43)
[INFO]       Auto_mut: Mutating residue number 901 from chain A (valine) into glutamic acid        (01:08:37)
[INFO]       Auto_mut: Mutating residue number 901 from chain A (valine) into aspartic acid        (01:08:55)
[INFO]       Auto_mut: Mutating residue number 818 from chain A (tyrosine) into glutamic acid      (01:09:31)
[INFO]       Auto_mut: Mutating residue number 901 from chain A (valine) into lysine               (01:19:53)
[INFO]       Auto_mut: Mutating residue number 901 from chain A (valine) into arginine             (01:20:12)
[INFO]       Auto_mut: Mutating residue number 818 from chain A (tyrosine) into lysine             (01:20:39)
[INFO]       Auto_mut: Mutating residue number 818 from chain A (tyrosine) into aspartic acid      (01:31:21)
[INFO]       Auto_mut: Mutating residue number 394 from chain A (valine) into glutamic acid        (01:31:41)
[INFO]       Auto_mut: Mutating residue number 394 from chain A (valine) into aspartic acid        (01:32:06)
[INFO]       Auto_mut: Mutating residue number 818 from chain A (tyrosine) into arginine           (01:42:53)
[INFO]       Auto_mut: Mutating residue number 394 from chain A (valine) into lysine               (01:43:39)
[INFO]       Auto_mut: Mutating residue number 394 from chain A (valine) into arginine             (01:43:56)
[INFO]       Auto_mut: Effect of mutation residue number 280 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: -0.4533 kcal/mol, Difference in average   
                       score from the base case: -0.0098                                           (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 280 from chain A (phenylalanine) into     
                       lysine: Energy difference: 0.4255 kcal/mol, Difference in average score     
                       from the base case: -0.0062                                                 (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 280 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: -0.1738 kcal/mol, Difference in average   
                       score from the base case: -0.0098                                           (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 280 from chain A (phenylalanine) into     
                       arginine: Energy difference: 0.9146 kcal/mol, Difference in average score   
                       from the base case: -0.0089                                                 (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 216 from chain A (phenylalanine) into     
                       glutamic acid: Energy difference: 2.0061 kcal/mol, Difference in average    
                       score from the base case: -0.0076                                           (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 216 from chain A (phenylalanine) into     
                       lysine: Energy difference: 1.7229 kcal/mol, Difference in average score     
                       from the base case: -0.0054                                                 (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 216 from chain A (phenylalanine) into     
                       aspartic acid: Energy difference: 2.3691 kcal/mol, Difference in average    
                       score from the base case: -0.0076                                           (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 216 from chain A (phenylalanine) into     
                       arginine: Energy difference: 1.7717 kcal/mol, Difference in average score   
                       from the base case: -0.0054                                                 (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 817 from chain A (valine) into glutamic   
                       acid: Energy difference: 0.3732 kcal/mol, Difference in average score from  
                       the base case: -0.0118                                                      (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 817 from chain A (valine) into lysine:    
                       Energy difference: -0.2872 kcal/mol, Difference in average score from the   
                       base case: -0.0103                                                          (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 817 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.9703 kcal/mol, Difference in average score from  
                       the base case: -0.0114                                                      (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 817 from chain A (valine) into arginine:  
                       Energy difference: -0.9515 kcal/mol, Difference in average score from the   
                       base case: -0.0016                                                          (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 901 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.5526 kcal/mol, Difference in average score from 
                       the base case: -0.0077                                                      (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 901 from chain A (valine) into lysine:    
                       Energy difference: -0.1585 kcal/mol, Difference in average score from the   
                       base case: -0.0060                                                          (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 901 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.1054 kcal/mol, Difference in average score from  
                       the base case: -0.0090                                                      (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 901 from chain A (valine) into arginine:  
                       Energy difference: -0.1657 kcal/mol, Difference in average score from the   
                       base case: -0.0071                                                          (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 818 from chain A (tyrosine) into glutamic 
                       acid: Energy difference: 2.6328 kcal/mol, Difference in average score from  
                       the base case: -0.0027                                                      (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 818 from chain A (tyrosine) into lysine:  
                       Energy difference: 2.0511 kcal/mol, Difference in average score from the    
                       base case: -0.0023                                                          (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 818 from chain A (tyrosine) into aspartic 
                       acid: Energy difference: 3.5786 kcal/mol, Difference in average score from  
                       the base case: -0.0016                                                      (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 818 from chain A (tyrosine) into          
                       arginine: Energy difference: 1.8864 kcal/mol, Difference in average score   
                       from the base case: -0.0030                                                 (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 394 from chain A (valine) into glutamic   
                       acid: Energy difference: -1.4538 kcal/mol, Difference in average score from 
                       the base case: -0.0069                                                      (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 394 from chain A (valine) into lysine:    
                       Energy difference: -0.6122 kcal/mol, Difference in average score from the   
                       base case: -0.0057                                                          (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 394 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.0907 kcal/mol, Difference in average score from 
                       the base case: -0.0090                                                      (01:55:53)
[INFO]       Auto_mut: Effect of mutation residue number 394 from chain A (valine) into arginine:  
                       Energy difference: -0.7603 kcal/mol, Difference in average score from the   
                       base case: -0.0065                                                          (01:55:53)
[INFO]       Main:     Simulation completed successfully.                                          (01:56:17)

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: -5.6789
Maximal score value: 1.6161
Average score: -0.7998
Total score value: -755.8367

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
1	M	A	0.6669
2	G	A	-0.2030
3	S	A	-0.4488
4	M	A	-1.2928
5	Q	A	-2.5804
6	L	A	0.0000
7	E	A	-4.1646
8	K	A	-3.7447
9	T	A	0.0000
10	N	A	-3.0957
11	F	A	-2.4004
12	K	A	-2.9624
13	N	A	-3.0056
14	K	A	-2.9198
15	G	A	0.0000
16	I	A	0.0000
17	V	A	-0.7068
18	S	A	-0.3354
19	L	A	0.0000
20	E	A	-1.1347
21	T	A	0.0000
22	G	A	-0.4271
23	Y	A	-0.0487
24	T	A	0.0000
25	I	A	0.0000
26	T	A	-0.0056
27	K	A	0.0000
28	V	A	0.0000
29	R	A	0.0000
30	T	A	0.0000
31	A	A	0.0000
32	I	A	-1.4475
33	N	A	-2.0311
34	K	A	-3.0813
35	N	A	-3.0600
36	K	A	-3.5769
37	S	A	0.0000
38	Y	A	0.0000
39	V	A	0.0000
40	V	A	0.0000
41	A	A	0.0000
42	T	A	0.0000
43	T	A	0.0000
44	F	A	-0.1835
45	E	A	-1.1049
46	G	A	0.0000
47	A	A	0.0000
48	V	A	0.0000
49	L	A	0.0000
50	G	A	0.0000
51	V	A	0.0000
52	A	A	0.0000
53	Y	A	0.0000
54	D	A	-3.5494
55	G	A	-2.2008
56	K	A	-2.1691
57	V	A	-0.4874
58	L	A	-0.4029
59	W	A	0.0000
60	K	A	-1.9311
61	N	A	-2.1008
62	K	A	-2.3489
63	L	A	0.0000
64	S	A	-0.7874
65	G	A	-1.2785
66	F	A	-0.7032
67	M	A	0.0000
68	N	A	0.0000
69	H	A	0.0000
70	D	A	0.0000
71	I	A	0.0000
72	W	A	-0.0137
73	S	A	-0.3122
74	K	A	-1.0096
75	D	A	-1.5959
76	I	A	0.0000
77	N	A	-2.4350
78	G	A	-2.3388
79	D	A	-2.4497
80	G	A	-2.1528
81	V	A	-1.8874
82	D	A	-1.2684
83	E	A	0.0000
84	I	A	0.0000
85	V	A	0.0000
86	T	A	0.0000
87	A	A	0.0000
88	N	A	0.0000
89	A	A	0.0000
90	D	A	-0.4862
91	G	A	0.0000
92	T	A	0.0000
93	I	A	0.0000
94	Y	A	0.0000
95	C	A	0.0000
96	L	A	0.0000
97	N	A	-0.9405
98	S	A	0.0000
99	K	A	-1.8265
100	G	A	0.0000
101	K	A	-1.9040
102	L	A	-0.4670
103	L	A	0.3695
104	W	A	-0.6034
105	K	A	-1.9441
106	F	A	0.0000
107	K	A	-2.6860
108	K	A	-2.4463
109	N	A	-1.9035
110	S	A	-1.3515
111	A	A	0.0000
112	P	A	0.0000
113	M	A	0.0000
114	Y	A	0.0000
115	A	A	0.0000
116	V	A	0.0000
117	C	A	0.0000
118	V	A	0.0000
119	I	A	0.0000
120	K	A	-2.0856
121	K	A	-2.7739
122	E	A	-3.2372
123	G	A	-2.6305
124	K	A	-3.1482
125	A	A	0.0000
126	Y	A	0.0000
127	V	A	0.0000
128	V	A	0.0000
129	A	A	0.0000
130	G	A	0.0000
131	G	A	0.0000
132	F	A	0.0000
133	D	A	0.0000
134	K	A	-0.5435
135	S	A	0.0000
136	I	A	0.0000
137	Y	A	0.0000
138	Y	A	0.0000
139	I	A	0.0000
140	S	A	-0.6922
141	S	A	-0.8327
142	T	A	-0.7876
143	G	A	-1.1309
144	E	A	-1.6091
145	M	A	-0.5900
146	V	A	0.4690
147	K	A	-0.7842
148	E	A	-1.3642
149	I	A	0.0000
150	K	A	-1.1118
151	S	A	0.0000
152	S	A	-0.6757
153	T	A	-0.2712
154	Y	A	0.0000
155	S	A	0.0000
156	I	A	0.0353
157	E	A	0.0000
158	K	A	-1.6846
159	P	A	-0.6826
160	W	A	-0.2577
161	A	A	-0.9638
162	K	A	-1.7229
163	F	A	-1.1379
164	K	A	-2.5196
165	K	A	-3.0225
166	D	A	-2.9742
167	L	A	-1.7867
168	P	A	-1.8466
169	E	A	-2.3703
170	S	A	-1.5037
171	N	A	-1.2136
172	V	A	0.0000
173	S	A	0.0000
174	T	A	0.0000
175	A	A	0.0000
176	N	A	0.0000
177	F	A	0.0000
178	L	A	0.0000
179	R	A	0.0000
180	P	A	-0.1896
181	I	A	0.0000
182	P	A	-1.4857
183	Q	A	-2.3628
184	K	A	-3.0124
185	N	A	-2.7873
186	G	A	-2.3634
187	D	A	-2.7187
188	D	A	0.0000
189	V	A	0.0000
190	L	A	0.0000
191	A	A	0.0000
192	V	A	0.0000
193	L	A	0.0000
194	G	A	0.0000
195	T	A	0.0000
196	N	A	0.0000
197	N	A	0.0000
198	H	A	0.0000
199	M	A	-0.4783
200	N	A	-1.1382
201	V	A	0.0000
202	P	A	0.0000
203	G	A	0.0000
204	T	A	0.0000
205	M	A	0.0000
206	Y	A	0.0000
207	L	A	0.0000
208	F	A	0.0000
209	N	A	-1.2855
210	A	A	-1.4631
211	L	A	-0.9007
212	E	A	-1.4657
213	N	A	-1.3755
214	L	A	0.2559
215	P	A	0.2371
216	F	A	1.0850
217	R	A	-0.1454
218	K	A	-0.9856
219	D	A	-1.7565
220	K	A	-1.8544
221	I	A	0.0000
222	A	A	-1.5426
223	I	A	-1.7618
224	K	A	-2.4910
225	G	A	-2.3483
226	K	A	-3.2113
227	R	A	-3.0763
228	V	A	0.0000
229	R	A	-1.2044
230	V	A	0.0000
231	I	A	0.0000
232	G	A	0.0000
233	S	A	-0.0530
234	F	A	0.0000
235	T	A	0.1284
236	V	A	0.1662
237	E	A	-0.7433
238	D	A	-1.5845
239	Y	A	-0.8168
240	A	A	-0.7242
241	T	A	-1.5932
242	K	A	-2.4910
243	G	A	-2.5326
244	E	A	-3.1727
245	Q	A	-1.8106
246	M	A	-0.7117
247	V	A	0.0000
248	I	A	0.0000
249	L	A	0.0000
250	G	A	0.0000
251	T	A	0.0000
252	S	A	0.0000
253	A	A	0.0000
254	H	A	-0.1114
255	S	A	0.0000
256	N	A	-1.3063
257	D	A	0.0000
258	S	A	0.0000
259	A	A	0.0000
260	I	A	0.0000
261	L	A	0.0000
262	L	A	-0.1701
263	Y	A	0.0000
264	N	A	-1.5586
265	P	A	-1.4422
266	Q	A	-1.9659
267	T	A	-1.4195
268	G	A	-1.8334
269	K	A	-2.2110
270	V	A	0.0000
271	T	A	-0.2742
272	Y	A	-0.2261
273	H	A	0.0000
274	K	A	-1.5262
275	N	A	0.0000
276	T	A	-1.5309
277	K	A	-1.6570
278	I	A	-0.4346
279	P	A	0.3282
280	F	A	1.6161
281	G	A	0.0000
282	Y	A	0.4143
283	D	A	0.0000
284	V	A	0.0000
285	T	A	0.0000
286	H	A	0.0000
287	T	A	0.0000
288	V	A	0.0000
289	T	A	0.0000
290	I	A	0.0000
291	K	A	-3.1092
292	E	A	-3.0225
293	N	A	-3.0315
294	N	A	-3.0799
295	K	A	-2.9556
296	T	A	-1.7550
297	L	A	-1.1263
298	F	A	0.0000
299	L	A	0.0000
300	T	A	0.0000
301	R	A	0.0000
302	V	A	0.0000
303	R	A	0.0000
304	N	A	-0.4083
305	Q	A	0.0000
306	I	A	0.0000
307	R	A	0.0000
308	L	A	0.0000
309	L	A	0.0000
310	D	A	-1.4301
311	L	A	-0.5493
312	N	A	-1.3660
313	L	A	-1.3822
314	N	A	-2.1753
315	E	A	-2.4319
316	K	A	-2.9375
317	K	A	-3.2056
318	V	A	-2.3018
319	E	A	-2.3627
320	R	A	-1.6688
321	I	A	0.0000
322	I	A	-0.5223
323	G	A	0.0000
324	K	A	-1.8228
325	Y	A	0.0000
326	A	A	0.0000
327	Y	A	0.0000
328	N	A	0.0000
329	D	A	0.0000
330	L	A	0.0000
331	W	A	-0.0034
332	K	A	-0.5193
333	D	A	0.0000
334	P	A	-0.9288
335	K	A	-1.7766
336	T	A	-1.2648
337	G	A	-1.1888
338	Y	A	0.0000
339	V	A	0.0000
340	I	A	0.0000
341	L	A	0.0000
342	A	A	0.0000
343	S	A	0.0000
344	A	A	0.0000
345	Q	A	0.0000
346	S	A	0.0000
347	G	A	0.0000
348	G	A	0.0000
349	S	A	0.0000
350	S	A	0.0000
351	I	A	0.0000
352	H	A	0.0000
353	I	A	0.0000
354	I	A	0.0000
355	N	A	-1.2078
356	T	A	0.0000
357	K	A	-2.7361
358	S	A	-2.2838
359	K	A	-2.8985
360	S	A	-2.4141
361	W	A	0.0000
362	K	A	-2.1281
363	K	A	-2.9776
364	D	A	-2.3576
365	F	A	0.0000
366	E	A	-2.3372
367	K	A	-2.7112
368	L	A	-1.5561
369	T	A	-1.0959
370	P	A	0.0000
371	P	A	-0.8010
372	G	A	-0.9192
373	K	A	0.0000
374	I	A	0.0000
375	E	A	-1.2990
376	S	A	-0.9669
377	I	A	0.0000
378	I	A	-0.3752
379	A	A	-0.7792
380	N	A	-0.8271
381	T	A	0.0000
382	K	A	-1.7617
383	A	A	-1.0949
384	T	A	-1.2215
385	R	A	-1.6455
386	A	A	-1.7886
387	D	A	-2.2484
388	L	A	0.0000
389	Q	A	-2.2863
390	K	A	-2.5637
391	Y	A	-1.2050
392	T	A	-0.5308
393	P	A	0.0666
394	V	A	0.6791
395	K	A	-1.2911
396	T	A	-1.6309
397	K	A	-2.4884
398	R	A	-2.1166
399	K	A	-2.3652
400	Q	A	-1.3268
401	L	A	-0.4665
402	P	A	-0.1382
403	V	A	0.0000
404	Y	A	0.1904
405	L	A	0.0000
406	M	A	0.0000
407	T	A	-0.5297
408	E	A	-0.8090
409	K	A	-1.5617
410	V	A	-1.3653
411	P	A	-1.2592
412	S	A	-1.0594
413	T	A	-0.9692
414	L	A	0.0000
415	E	A	-2.2300
416	P	A	-1.6822
417	L	A	-1.5250
418	K	A	-2.1463
419	T	A	-2.6729
420	E	A	-3.0937
421	I	A	0.0000
422	E	A	-3.5468
423	K	A	-3.8040
424	K	A	-3.3114
425	Y	A	-1.9307
426	P	A	-1.3955
427	T	A	0.0000
428	P	A	0.0000
429	V	A	-0.2179
430	F	A	0.0000
431	L	A	0.0000
432	N	A	-1.1455
433	S	A	-1.0003
434	K	A	-1.1510
435	H	A	-1.4137
436	L	A	0.0000
437	P	A	-1.6868
438	E	A	-1.7992
439	V	A	0.0000
440	E	A	0.0000
441	N	A	-1.7030
442	W	A	-1.5591
443	D	A	-2.3764
444	R	A	0.0000
445	S	A	-1.5210
446	S	A	-0.8739
447	L	A	0.0000
448	T	A	-1.2022
449	N	A	-2.4370
450	E	A	-3.7811
451	K	A	-3.9458
452	F	A	0.0000
453	R	A	-3.9581
454	K	A	-3.9632
455	K	A	-3.5870
456	R	A	-3.3715
457	D	A	0.0000
458	R	A	-3.5635
459	R	A	-3.5471
460	K	A	-2.8483
461	K	A	-2.7610
462	Y	A	-1.3381
463	V	A	0.1762
464	L	A	0.0000
465	S	A	-1.0954
466	Q	A	-1.8117
467	Q	A	-2.1922
468	Q	A	-1.9650
469	L	A	-0.7725
470	E	A	-1.8147
471	G	A	-1.1817
472	S	A	0.0000
473	A	A	0.0000
474	V	A	0.0000
475	D	A	-1.4624
476	L	A	-0.6179
477	I	A	0.0000
478	T	A	-1.1798
479	K	A	-1.9364
480	E	A	-1.6914
481	Y	A	0.0000
482	N	A	-2.4226
483	N	A	-2.1511
484	A	A	-1.4274
485	P	A	-0.7965
486	G	A	0.0000
487	L	A	0.0000
488	A	A	0.0000
489	Y	A	0.0000
490	W	A	-0.0390
491	A	A	0.0000
492	G	A	0.0000
493	H	A	0.0000
494	G	A	-1.2353
495	N	A	-1.9434
496	D	A	0.0000
497	P	A	0.0000
498	Y	A	0.0000
499	M	A	0.0000
500	F	A	0.0000
501	S	A	0.0000
502	L	A	0.0255
503	A	A	-0.2724
504	T	A	0.0000
505	T	A	0.0000
506	K	A	-1.0267
507	K	A	-1.5131
508	V	A	0.0000
509	L	A	0.0000
510	D	A	-2.0578
511	A	A	-1.6329
512	A	A	0.0000
513	N	A	-2.1857
514	G	A	-2.1991
515	K	A	-1.6718
516	K	A	0.0000
517	T	A	0.0000
518	V	A	0.0000
519	L	A	0.0000
520	I	A	0.0000
521	Y	A	0.0000
522	P	A	0.0000
523	E	A	-1.4842
524	M	A	0.0000
525	E	A	-1.5077
526	D	A	-1.8806
527	H	A	-1.9105
528	S	A	-1.8838
529	E	A	-2.5907
530	D	A	-2.2433
531	L	A	0.0000
532	N	A	-2.7040
533	F	A	-1.4758
534	M	A	0.0000
535	V	A	0.0000
536	N	A	-1.8102
537	N	A	-1.3342
538	L	A	0.0000
539	L	A	0.0000
540	Y	A	-0.3968
541	P	A	-0.3829
542	L	A	0.0000
543	A	A	0.0000
544	T	A	-0.5886
545	Y	A	-0.7333
546	A	A	0.0000
547	K	A	-2.9350
548	D	A	-3.0977
549	K	A	-2.7272
550	N	A	-2.5298
551	A	A	0.0000
552	N	A	0.0000
553	I	A	0.0000
554	F	A	0.0000
555	L	A	0.0000
556	R	A	0.0000
557	S	A	0.0000
558	K	A	-0.6309
559	N	A	0.0000
560	V	A	0.0000
561	F	A	0.0000
562	W	A	0.0000
563	L	A	0.0000
564	G	A	0.0000
565	S	A	0.0000
566	N	A	0.0000
567	Y	A	-0.3099
568	L	A	-0.7441
569	D	A	-1.9069
570	A	A	-1.8800
571	W	A	0.0000
572	S	A	-0.7362
573	G	A	-0.7387
574	L	A	0.0000
575	M	A	0.0000
576	S	A	-0.9631
577	G	A	-0.9987
578	T	A	-0.9737
579	Y	A	-1.0389
580	A	A	0.0000
581	D	A	-2.5730
582	V	A	0.0000
583	F	A	0.0000
584	V	A	0.0000
585	P	A	0.0000
586	A	A	0.0000
587	M	A	0.0000
588	E	A	-0.5128
589	E	A	0.0000
590	T	A	0.0000
591	T	A	0.0000
592	D	A	0.0000
593	K	A	0.0000
594	T	A	0.0000
595	M	A	0.0000
596	E	A	0.0000
597	L	A	0.0000
598	S	A	0.0000
599	L	A	0.0000
600	A	A	0.0000
601	G	A	0.0000
602	R	A	0.0000
603	T	A	0.0000
604	G	A	0.0000
605	M	A	0.0000
606	W	A	0.0000
607	A	A	0.0000
608	S	A	0.0000
609	G	A	0.0000
610	A	A	0.0000
611	V	A	0.0000
612	N	A	-1.1157
613	S	A	-0.7463
614	W	A	0.0000
615	G	A	0.0000
616	T	A	0.0000
617	R	A	-0.1522
618	A	A	0.0000
619	V	A	0.0000
620	P	A	0.0000
621	D	A	0.0000
622	N	A	0.0000
623	T	A	0.0000
624	A	A	0.0000
625	F	A	0.1103
626	D	A	0.0000
627	R	A	0.0000
628	S	A	0.0000
629	R	A	-0.0992
630	Q	A	0.0000
631	Y	A	0.2109
632	G	A	0.0000
633	S	A	0.0000
634	Q	A	0.0000
635	Q	A	-0.5338
636	L	A	0.0000
637	P	A	0.0000
638	N	A	0.0000
639	H	A	0.0000
640	F	A	0.0000
641	L	A	0.0000
642	R	A	0.0000
643	M	A	0.0000
644	L	A	0.0000
645	I	A	0.0000
646	F	A	0.0000
647	H	A	0.0000
648	T	A	0.0000
649	A	A	0.0000
650	N	A	0.0000
651	G	A	0.0000
652	A	A	0.0000
653	Q	A	-0.0214
654	Y	A	0.0000
655	I	A	0.0000
656	N	A	0.0000
657	N	A	0.0000
658	F	A	0.4804
659	A	A	0.1048
660	V	A	0.4373
661	D	A	-0.8211
662	Q	A	0.0000
663	E	A	-1.5701
664	Y	A	-0.8699
665	V	A	0.0000
666	S	A	0.0000
667	V	A	0.0000
668	Y	A	0.0000
669	W	A	0.0000
670	E	A	0.0000
671	L	A	0.0000
672	I	A	0.0000
673	A	A	0.0000
674	K	A	-0.3680
675	G	A	-0.0761
676	V	A	0.0000
677	L	A	0.0000
678	F	A	0.0988
679	V	A	0.0000
680	P	A	0.0000
681	K	A	-1.0671
682	R	A	-0.9403
683	E	A	-1.1637
684	E	A	-0.8179
685	I	A	0.0000
686	V	A	0.0000
687	S	A	0.0000
688	F	A	0.0000
689	S	A	0.0000
690	P	A	0.0000
691	V	A	0.0000
692	H	A	0.0000
693	L	A	0.0000
694	S	A	0.0000
695	M	A	0.0000
696	K	A	-0.0153
697	S	A	-0.7585
698	P	A	0.0000
699	D	A	-1.6198
700	E	A	-2.4474
701	H	A	-1.7639
702	F	A	0.0000
703	L	A	0.0000
704	D	A	-1.7185
705	D	A	-1.0482
706	G	A	0.0000
707	S	A	-0.6988
708	N	A	-0.9821
709	V	A	0.0000
710	K	A	-0.9547
711	W	A	0.0000
712	T	A	0.0000
713	I	A	0.0000
714	K	A	-1.5410
715	Y	A	0.0000
716	N	A	-2.9477
717	E	A	-3.9815
718	E	A	-3.8237
719	F	A	-2.4591
720	E	A	-2.9606
721	K	A	-3.6629
722	N	A	-2.8746
723	N	A	-1.7780
724	P	A	-1.1677
725	F	A	0.0000
726	V	A	0.0000
727	F	A	0.0000
728	S	A	-0.3369
729	R	A	-0.3543
730	M	A	0.0000
731	N	A	0.0000
732	G	A	0.0000
733	S	A	0.0000
734	W	A	0.0000
735	P	A	0.0000
736	G	A	0.0000
737	A	A	0.0000
738	P	A	-0.9369
739	V	A	0.0000
740	T	A	0.0000
741	E	A	-2.2186
742	W	A	-1.2170
743	D	A	0.0000
744	F	A	0.0000
745	S	A	0.0000
746	N	A	-1.3897
747	Y	A	0.0000
748	A	A	0.0000
749	A	A	0.0000
750	G	A	-1.2050
751	V	A	0.0000
752	N	A	-1.8930
753	E	A	-1.1571
754	R	A	0.0000
755	R	A	0.0000
756	L	A	0.0000
757	N	A	-0.3734
758	F	A	0.0000
759	L	A	0.0000
760	A	A	0.0000
761	P	A	-0.8459
762	Y	A	0.0000
763	N	A	-1.0331
764	N	A	-1.3022
765	G	A	0.0000
766	L	A	0.0000
767	V	A	0.0000
768	L	A	0.0000
769	I	A	0.0000
770	T	A	0.0000
771	P	A	0.0000
772	P	A	0.0000
773	Q	A	-1.1006
774	Q	A	-1.7196
775	G	A	-1.0560
776	V	A	0.2202
777	F	A	0.0757
778	A	A	-0.5022
779	A	A	-0.8791
780	K	A	-2.2582
781	N	A	-2.3278
782	V	A	-1.7290
783	D	A	-2.2787
784	R	A	-1.2645
785	G	A	-0.8967
786	S	A	-0.8801
787	L	A	0.0000
788	E	A	-1.3135
789	S	A	-0.8203
790	Y	A	-0.6701
791	L	A	0.0000
792	H	A	0.0000
793	P	A	-1.4360
794	L	A	0.0000
795	Y	A	0.0000
796	K	A	-2.3506
797	N	A	-2.1371
798	I	A	0.0000
799	T	A	-1.1538
800	K	A	-0.9110
801	E	A	-0.8110
802	Y	A	-0.3340
803	I	A	0.0000
804	T	A	0.0000
805	D	A	-0.7212
806	G	A	0.0000
807	K	A	-0.9524
808	S	A	0.0930
809	Y	A	0.0000
810	F	A	-0.2332
811	S	A	-1.1527
812	K	A	-2.2294
813	D	A	-2.7036
814	G	A	-1.6696
815	K	A	-2.4193
816	Q	A	-1.4408
817	V	A	1.0378
818	Y	A	0.7684
819	S	A	0.0217
820	A	A	0.0000
821	D	A	-1.1832
822	T	A	-0.5081
823	Y	A	-0.0369
824	Y	A	-1.0303
825	K	A	-1.9133
826	T	A	-1.1511
827	V	A	0.0000
828	E	A	-2.2589
829	K	A	-3.1953
830	S	A	0.0000
831	I	A	0.0000
832	K	A	-3.3536
833	E	A	-3.4583
834	S	A	0.0000
835	A	A	0.0000
836	K	A	-2.5214
837	L	A	-1.0935
838	L	A	0.0000
839	P	A	0.0000
840	I	A	0.0000
841	T	A	-0.6761
842	V	A	0.0000
843	T	A	-1.0362
844	G	A	-1.6260
845	D	A	-2.3699
846	V	A	0.0000
847	A	A	0.0000
848	W	A	0.0000
849	V	A	0.0000
850	V	A	0.0000
851	A	A	0.0000
852	Q	A	-0.6184
853	I	A	-0.1132
854	A	A	-0.8957
855	P	A	-1.7795
856	K	A	-2.3179
857	T	A	-1.5170
858	L	A	0.0000
859	R	A	0.0000
860	I	A	0.0000
861	T	A	0.0000
862	L	A	0.0000
863	I	A	0.0000
864	D	A	0.0000
865	S	A	-0.7352
866	G	A	0.0000
867	Y	A	0.0000
868	L	A	0.0747
869	N	A	-0.1416
870	P	A	0.0000
871	S	A	-0.9058
872	N	A	-2.1265
873	K	A	-2.2310
874	Q	A	-2.4667
875	A	A	0.0000
876	T	A	-0.9530
877	V	A	0.0000
878	K	A	-1.2328
879	F	A	0.0000
880	N	A	-1.0314
881	T	A	-0.8484
882	V	A	-0.5801
883	T	A	-0.2770
884	P	A	-0.6946
885	V	A	-0.3215
886	K	A	-1.6994
887	I	A	0.0000
888	T	A	-1.9394
889	D	A	0.0000
890	V	A	0.0000
891	L	A	-1.5399
892	N	A	-2.2841
893	K	A	-2.8278
894	E	A	-2.5115
895	T	A	-1.9361
896	F	A	-1.4407
897	K	A	-1.7027
898	V	A	-0.7579
899	K	A	-1.2343
900	A	A	-0.1013
901	V	A	0.9452
902	N	A	-0.6301
903	A	A	-0.6606
904	S	A	0.0000
905	T	A	0.0000
906	T	A	-1.0204
907	I	A	0.0000
908	N	A	-2.1332
909	I	A	0.0000
910	P	A	-1.1199
911	L	A	0.0000
912	G	A	0.0000
913	L	A	0.0000
914	F	A	0.0000
915	R	A	-0.4468
916	F	A	0.0000
917	I	A	0.0000
918	D	A	-1.0619
919	V	A	0.0000
920	E	A	-2.1012
921	L	A	0.0000
922	T	A	-1.4480
923	K	A	-2.9839
924	E	A	-3.2692
925	L	A	0.0000
926	K	A	-2.6175
927	L	A	-1.7485
928	E	A	-2.3850
929	L	A	-2.0115
930	E	A	-3.4735
931	D	A	-4.6459
932	D	A	-4.8838
933	D	A	-5.6789
934	D	A	-5.4418
935	D	A	-5.1525
936	D	A	-4.3179
937	D	A	-3.8752
938	V	A	-1.7986
939	E	A	-2.9797
940	H	A	-2.7035
941	H	A	-2.8151
942	H	A	-3.0278
943	H	A	-2.7376
944	H	A	-2.4322
945	H	A	-1.9322

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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
VE394A	-1.4538	-0.0069	View	CSV	PDB
FE280A	-0.4533	-0.0098	View	CSV	PDB
VR394A	-0.7603	-0.0065	View	CSV	PDB
VK817A	-0.2872	-0.0103	View	CSV	PDB
VE901A	-0.5526	-0.0077	View	CSV	PDB
FD280A	-0.1738	-0.0098	View	CSV	PDB
VR901A	-0.1657	-0.0071	View	CSV	PDB
VR817A	-0.9515	-0.0016	View	CSV	PDB
FE216A	2.0061	-0.0076	View	CSV	PDB
FD216A	2.3691	-0.0076	View	CSV	PDB
YR818A	1.8864	-0.003	View	CSV	PDB
YK818A	2.0511	-0.0023	View	CSV	PDB

Project name: 123

Status: done

Started: 2025-12-24 06:21:04

Automated mutations analysis

Mutant

Energetic effect

Score comparison