Aggrescan3D: a5a08206d556539

Project name: a5a08206d556539

Status: done

Started: 2026-04-20 11:45:07

Settings

Chain sequence(s)	H: QVQLVQSGAEVRKPGASVRVSCKASGYTFIDSYVGWIRQAPGHGLEWIHWINPNSGGTNYAPRFQGRVTMTRDASFSTAYMDLRSLRSDDSAVFYCAKSDPFWSDYNFDYSSSEEGTEVTYTVSGAWTLPSVFPLTRCCKNIPSNATSVTLGCLATGYFPEPVMVTWDTGSLNGTTLPATTLTLSGHYATISLLTVSGAWAKQMFTCRVAHTPSSTVDNKTFSVCSRDFTPPTVKILQSSCDGLGHFPPTIQLCLVSGYTPGTINITWLEDGQVMDVDLSTASTESQGELASTESQLTLSQKHWLSDRTYTCQVTYQGHTFQDSTKKCADSNPRGVSAYLSRPSPFDLFIRKSPTITCLVVDLAPSKGTVNLTWSRASGKPVNHSTRKEEKQRNGTLTVTSTLPVGTRDWIEGETYQCRVTHPHLPRALMRSTTKTSGPRAAPEVYAFATPEWPGSRDKRTLACLIQNFMPEDISVQWLHNEVQLPDARHSTTQPRKTKGSGFFVFSRLEVTRAEWQEKDEFICRAVHEAASPSQTVQRAVSVNPGK L: DIQMTQSPSTLSASVGDRVTITCRASQSINTWLAWYQQKPGKAPKLLMYKASSLESGVPSRFIGSGSGTEFTLTISSLQPDDFATYYCQQYNSDSKMFGQGTKVEVKGTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input PDB
Selected Chain(s)	H,L
Distance of aggregation	10 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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:09:28)
[INFO]       Auto_mut: Residue number 184 from chain H and a score of 1.795 (leucine) selected for 
                       automated muatation                                                         (00:09:35)
[INFO]       Auto_mut: Residue number 339 from chain H and a score of 1.515 (tyrosine) selected    
                       for automated muatation                                                     (00:09:35)
[INFO]       Auto_mut: Residue number 129 from chain H and a score of 1.504 (leucine) selected for 
                       automated muatation                                                         (00:09:35)
[INFO]       Auto_mut: Residue number 103 from chain H and a score of 1.205 (tryptophan) selected  
                       for automated muatation                                                     (00:09:35)
[INFO]       Auto_mut: Residue number 448 from chain H and a score of 1.131 (phenylalanine)        
                       selected for automated muatation                                            (00:09:35)
[INFO]       Auto_mut: Residue number 185 from chain H and a score of 1.127 (serine) selected for  
                       automated muatation                                                         (00:09:35)
[INFO]       Auto_mut: Mutating residue number 184 from chain H (leucine) into glutamic acid       (00:09:35)
[INFO]       Auto_mut: Mutating residue number 339 from chain H (tyrosine) into glutamic acid      (00:09:35)
[INFO]       Auto_mut: Mutating residue number 184 from chain H (leucine) into aspartic acid       (00:09:35)
[INFO]       Auto_mut: Mutating residue number 184 from chain H (leucine) into arginine            (00:13:25)
[INFO]       Auto_mut: Mutating residue number 184 from chain H (leucine) into lysine              (00:13:34)
[INFO]       Auto_mut: Mutating residue number 339 from chain H (tyrosine) into lysine             (00:13:40)
[INFO]       Auto_mut: Mutating residue number 339 from chain H (tyrosine) into aspartic acid      (00:17:41)
[INFO]       Auto_mut: Mutating residue number 129 from chain H (leucine) into glutamic acid       (00:17:56)
[INFO]       Auto_mut: Mutating residue number 129 from chain H (leucine) into aspartic acid       (00:18:19)
[INFO]       Auto_mut: Mutating residue number 339 from chain H (tyrosine) into arginine           (00:21:42)
[INFO]       Auto_mut: Mutating residue number 129 from chain H (leucine) into lysine              (00:21:54)
[INFO]       Auto_mut: Mutating residue number 129 from chain H (leucine) into arginine            (00:22:12)
[INFO]       Auto_mut: Mutating residue number 103 from chain H (tryptophan) into glutamic acid    (00:25:44)
[INFO]       Auto_mut: Mutating residue number 103 from chain H (tryptophan) into aspartic acid    (00:26:11)
[INFO]       Auto_mut: Mutating residue number 448 from chain H (phenylalanine) into glutamic acid 
                       Mutating residue number 448 from chain H (phenylalanine) into glutamic acid (00:26:16)
[INFO]       Auto_mut: Mutating residue number 103 from chain H (tryptophan) into lysine           (00:29:45)
[INFO]       Auto_mut: Mutating residue number 103 from chain H (tryptophan) into arginine         (00:30:01)
[INFO]       Auto_mut: Mutating residue number 448 from chain H (phenylalanine) into lysine        (00:30:20)
[INFO]       Auto_mut: Mutating residue number 448 from chain H (phenylalanine) into aspartic acid 
                       Mutating residue number 448 from chain H (phenylalanine) into aspartic acid (00:33:54)
[INFO]       Auto_mut: Mutating residue number 185 from chain H (serine) into glutamic acid        (00:34:01)
[INFO]       Auto_mut: Mutating residue number 185 from chain H (serine) into aspartic acid        (00:34:40)
[INFO]       Auto_mut: Mutating residue number 448 from chain H (phenylalanine) into arginine      (00:37:49)
[INFO]       Auto_mut: Mutating residue number 185 from chain H (serine) into lysine               (00:38:03)
[INFO]       Auto_mut: Mutating residue number 185 from chain H (serine) into arginine             (00:38:33)
[INFO]       Auto_mut: Effect of mutation residue number 184 from chain H (leucine) into glutamic  
                       acid: Energy difference: -0.2351 kcal/mol, Difference in average score from 
                       the base case: -0.0154                                                      (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 184 from chain H (leucine) into lysine:   
                       Energy difference: -0.2902 kcal/mol, Difference in average score from the   
                       base case: -0.0152                                                          (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 184 from chain H (leucine) into aspartic  
                       acid: Energy difference: 0.0403 kcal/mol, Difference in average score from  
                       the base case: -0.0146                                                      (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 184 from chain H (leucine) into arginine: 
                       Energy difference: -0.1209 kcal/mol, Difference in average score from the   
                       base case: -0.0117                                                          (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 339 from chain H (tyrosine) into glutamic 
                       acid: Energy difference: 0.7400 kcal/mol, Difference in average score from  
                       the base case: -0.0139                                                      (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 339 from chain H (tyrosine) into lysine:  
                       Energy difference: 0.0893 kcal/mol, Difference in average score from the    
                       base case: -0.0146                                                          (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 339 from chain H (tyrosine) into aspartic 
                       acid: Energy difference: 1.7521 kcal/mol, Difference in average score from  
                       the base case: -0.0134                                                      (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 339 from chain H (tyrosine) into          
                       arginine: Energy difference: 0.0183 kcal/mol, Difference in average score   
                       from the base case: -0.0103                                                 (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 129 from chain H (leucine) into glutamic  
                       acid: Energy difference: 0.0946 kcal/mol, Difference in average score from  
                       the base case: -0.0175                                                      (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 129 from chain H (leucine) into lysine:   
                       Energy difference: 0.1453 kcal/mol, Difference in average score from the    
                       base case: -0.0124                                                          (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 129 from chain H (leucine) into aspartic  
                       acid: Energy difference: 0.9662 kcal/mol, Difference in average score from  
                       the base case: -0.0166                                                      (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 129 from chain H (leucine) into arginine: 
                       Energy difference: 0.0972 kcal/mol, Difference in average score from the    
                       base case: -0.0108                                                          (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 103 from chain H (tryptophan) into        
                       glutamic acid: Energy difference: 1.3446 kcal/mol, Difference in average    
                       score from the base case: -0.0167                                           (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 103 from chain H (tryptophan) into        
                       lysine: Energy difference: 0.7342 kcal/mol, Difference in average score     
                       from the base case: -0.0150                                                 (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 103 from chain H (tryptophan) into        
                       aspartic acid: Energy difference: 1.3650 kcal/mol, Difference in average    
                       score from the base case: -0.0181                                           (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 103 from chain H (tryptophan) into        
                       arginine: Energy difference: 0.3329 kcal/mol, Difference in average score   
                       from the base case: -0.0138                                                 (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 448 from chain H (phenylalanine) into     
                       glutamic acid: Energy difference: 1.5565 kcal/mol, Difference in average    
                       score from the base case: -0.0151                                           (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 448 from chain H (phenylalanine) into     
                       lysine: Energy difference: 1.1849 kcal/mol, Difference in average score     
                       from the base case: -0.0112                                                 (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 448 from chain H (phenylalanine) into     
                       aspartic acid: Energy difference: 1.8861 kcal/mol, Difference in average    
                       score from the base case: -0.0154                                           (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 448 from chain H (phenylalanine) into     
                       arginine: Energy difference: 1.1949 kcal/mol, Difference in average score   
                       from the base case: -0.0123                                                 (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 185 from chain H (serine) into glutamic   
                       acid: Energy difference: 0.9327 kcal/mol, Difference in average score from  
                       the base case: -0.0085                                                      (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 185 from chain H (serine) into lysine:    
                       Energy difference: 0.5148 kcal/mol, Difference in average score from the    
                       base case: -0.0087                                                          (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 185 from chain H (serine) into aspartic   
                       acid: Energy difference: 0.9303 kcal/mol, Difference in average score from  
                       the base case: -0.0107                                                      (00:42:33)
[INFO]       Auto_mut: Effect of mutation residue number 185 from chain H (serine) into arginine:  
                       Energy difference: 0.6067 kcal/mol, Difference in average score from the    
                       base case: -0.0074                                                          (00:42:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:42:50)

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: -3.8893
Maximal score value: 1.7947
Average score: -0.7615
Total score value: -579.5017

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	Q	H	-1.2474
2	V	H	-0.4848
3	Q	H	-0.9980
4	L	H	0.0000
5	V	H	-0.4698
6	Q	H	-0.8443
7	S	H	-0.6607
8	G	H	-1.0607
9	A	H	-0.7538
10	E	H	-0.7463
11	V	H	-0.3107
12	R	H	-1.2930
13	K	H	-1.8628
14	P	H	-1.6116
15	G	H	-1.7390
16	A	H	-1.6367
17	S	H	-1.7539
18	V	H	0.0000
19	R	H	-1.7979
20	V	H	0.0000
21	S	H	-0.5582
22	C	H	0.0000
23	K	H	-0.3097
24	A	H	0.0000
25	S	H	-0.4890
26	G	H	-0.8048
27	Y	H	-0.2877
28	T	H	-0.1161
29	F	H	0.0000
30	I	H	-0.5800
31	D	H	-0.5197
32	S	H	0.0000
33	Y	H	-0.1899
34	V	H	0.0000
35	G	H	0.0000
36	W	H	0.0000
37	I	H	0.0000
38	R	H	0.0000
39	Q	H	-0.6470
40	A	H	-1.0449
41	P	H	-1.0579
42	G	H	-1.1202
43	H	H	-1.6418
44	G	H	-1.2634
45	L	H	0.0000
46	E	H	-0.6366
47	W	H	0.0000
48	I	H	0.0000
49	H	H	0.0000
50	W	H	-0.1317
51	I	H	0.0000
52	N	H	-0.7476
53	P	H	0.0000
54	N	H	-1.5964
55	S	H	-1.0322
56	G	H	-0.8790
57	G	H	-0.6477
58	T	H	-0.2453
59	N	H	-0.7180
60	Y	H	-1.0054
61	A	H	0.0000
62	P	H	-2.0420
63	R	H	-2.3602
64	F	H	0.0000
65	Q	H	-2.0727
66	G	H	-1.6376
67	R	H	-1.6996
68	V	H	0.0000
69	T	H	-0.8103
70	M	H	0.0000
71	T	H	-0.3979
72	R	H	-0.7149
73	D	H	-0.3536
74	A	H	-0.2447
75	S	H	0.1092
76	F	H	0.6329
77	S	H	0.2168
78	T	H	0.0000
79	A	H	0.0000
80	Y	H	-0.5108
81	M	H	0.0000
82	D	H	-1.2824
83	L	H	0.0000
84	R	H	-2.4517
85	S	H	-1.9189
86	L	H	0.0000
87	R	H	-2.9844
88	S	H	-1.9551
89	D	H	-2.4963
90	D	H	0.0000
91	S	H	-1.1008
92	A	H	0.0000
93	V	H	-0.4158
94	F	H	0.0000
95	Y	H	0.0000
96	C	H	0.0000
97	A	H	0.0000
98	K	H	-0.4083
99	S	H	0.0000
100	D	H	-0.2792
101	P	H	0.1847
102	F	H	0.8337
103	W	H	1.2048
104	S	H	0.4459
105	D	H	0.0000
106	Y	H	0.2732
107	N	H	0.0000
108	F	H	0.0000
109	D	H	-0.7553
110	Y	H	0.0000
111	S	H	-1.7212
112	S	H	-1.2677
113	S	H	0.0000
114	E	H	-3.3018
115	E	H	-3.4606
116	G	H	-1.9898
117	T	H	0.0000
118	E	H	-1.0933
119	V	H	0.0000
120	T	H	0.0000
121	Y	H	-1.0256
122	T	H	0.0000
123	V	H	0.9020
124	S	H	0.2887
125	G	H	-0.1397
126	A	H	0.3995
127	W	H	0.8259
128	T	H	0.9198
129	L	H	1.5038
130	P	H	0.0000
131	S	H	-0.0448
132	V	H	0.0000
133	F	H	0.0000
134	P	H	-0.4115
135	L	H	0.0000
136	T	H	-0.0660
137	R	H	-0.5802
138	C	H	0.0000
139	C	H	-1.3158
140	K	H	-2.1464
141	N	H	-1.8878
142	I	H	0.0000
143	P	H	-1.2879
144	S	H	-1.2466
145	N	H	-1.5189
146	A	H	-0.9034
147	T	H	-0.7074
148	S	H	-0.5533
149	V	H	0.0000
150	T	H	0.0000
151	L	H	0.0000
152	G	H	0.0000
153	C	H	0.0000
154	L	H	0.0000
155	A	H	0.0000
156	T	H	0.2105
157	G	H	0.2176
158	Y	H	0.0000
159	F	H	0.0000
160	P	H	0.0000
161	E	H	-0.3195
162	P	H	-0.0795
163	V	H	0.6869
164	M	H	0.7982
165	V	H	0.0988
166	T	H	-0.6420
167	W	H	0.0000
168	D	H	-0.9047
169	T	H	-0.6876
170	G	H	-0.9852
171	S	H	-0.6485
172	L	H	-0.5717
173	N	H	-1.3616
174	G	H	-0.8270
175	T	H	-0.4024
176	T	H	-0.0749
177	L	H	0.0000
178	P	H	-0.4610
179	A	H	-0.2010
180	T	H	-0.3423
181	T	H	0.2192
182	L	H	0.6807
183	T	H	0.5947
184	L	H	1.7947
185	S	H	1.1273
186	G	H	0.8297
187	H	H	0.6177
188	Y	H	0.0481
189	A	H	-0.0345
190	T	H	0.0000
191	I	H	0.0000
192	S	H	0.0000
193	L	H	0.0000
194	L	H	0.0000
195	T	H	-0.3223
196	V	H	0.0000
197	S	H	-0.5109
198	G	H	-0.9845
199	A	H	-0.9842
200	W	H	0.0000
201	A	H	-1.4114
202	K	H	-2.5591
203	Q	H	-1.7153
204	M	H	0.0000
205	F	H	0.0000
206	T	H	-0.7108
207	C	H	0.0000
208	R	H	-1.3554
209	V	H	0.0000
210	A	H	0.3150
211	H	H	0.0000
212	T	H	-0.1432
213	P	H	0.0000
214	S	H	0.3154
215	S	H	0.1017
216	T	H	0.3826
217	V	H	0.3296
218	D	H	-1.2972
219	N	H	-1.8258
220	K	H	-1.2079
221	T	H	-0.7049
222	F	H	0.0000
223	S	H	-0.8187
224	V	H	0.0000
225	C	H	0.0000
226	S	H	-1.7057
227	R	H	-2.8952
228	D	H	-2.7598
229	F	H	-1.2885
230	T	H	-0.5933
231	P	H	-0.3972
232	P	H	0.0000
233	T	H	-0.4894
234	V	H	-0.7265
235	K	H	-1.0500
236	I	H	-0.2734
237	L	H	0.4800
238	Q	H	-0.0579
239	S	H	-0.0180
240	S	H	-0.3178
241	C	H	-0.5673
242	D	H	-1.5127
243	G	H	-1.0591
244	L	H	0.4701
245	G	H	-0.2631
246	H	H	-0.5171
247	F	H	0.2470
248	P	H	-0.2238
249	P	H	-0.2102
250	T	H	0.0000
251	I	H	0.1834
252	Q	H	0.0000
253	L	H	-0.0584
254	C	H	0.0000
255	L	H	-0.3664
256	V	H	0.0000
257	S	H	-0.6575
258	G	H	-0.5806
259	Y	H	0.0000
260	T	H	-0.8077
261	P	H	-0.8408
262	G	H	-0.5346
263	T	H	-0.6542
264	I	H	-0.7598
265	N	H	-1.3365
266	I	H	0.0000
267	T	H	-0.1688
268	W	H	0.0000
269	L	H	0.0000
270	E	H	-1.6564
271	D	H	-2.5466
272	G	H	-1.6537
273	Q	H	-1.3397
274	V	H	0.4259
275	M	H	-0.4991
276	D	H	-1.5379
277	V	H	-0.9447
278	D	H	-1.7907
279	L	H	-0.5571
280	S	H	-0.6760
281	T	H	-0.5224
282	A	H	-0.8968
283	S	H	-1.0476
284	T	H	-1.5170
285	E	H	-2.4957
286	S	H	-2.2030
287	Q	H	-2.3500
288	G	H	-2.0696
289	E	H	-2.2521
290	L	H	-1.4009
291	A	H	0.0000
292	S	H	-1.2053
293	T	H	0.0000
294	E	H	-1.6011
295	S	H	0.0000
296	Q	H	-0.8867
297	L	H	0.0000
298	T	H	-0.2488
299	L	H	-0.4552
300	S	H	-1.1574
301	Q	H	-1.6551
302	K	H	-2.1238
303	H	H	-1.3684
304	W	H	0.0000
305	L	H	-0.3806
306	S	H	-1.0523
307	D	H	-1.5637
308	R	H	-1.7602
309	T	H	-1.6820
310	Y	H	0.0000
311	T	H	-1.1764
312	C	H	0.0000
313	Q	H	-0.7979
314	V	H	0.0000
315	T	H	-1.0732
316	Y	H	0.0000
317	Q	H	-1.6113
318	G	H	-1.1387
319	H	H	-0.9495
320	T	H	-0.8758
321	F	H	0.0000
322	Q	H	-1.4959
323	D	H	-1.3012
324	S	H	-1.3297
325	T	H	0.0000
326	K	H	-1.6625
327	K	H	-0.9345
328	C	H	-0.7437
329	A	H	-1.1142
330	D	H	-2.1398
331	S	H	-1.5759
332	N	H	-2.2441
333	P	H	-1.5315
334	R	H	-1.6016
335	G	H	-0.9309
336	V	H	-0.1270
337	S	H	0.3189
338	A	H	0.0000
339	Y	H	1.5154
340	L	H	0.6809
341	S	H	0.1910
342	R	H	-0.5597
343	P	H	0.0000
344	S	H	-0.4204
345	P	H	0.0000
346	F	H	-0.5802
347	D	H	-1.3822
348	L	H	0.0000
349	F	H	-0.7569
350	I	H	-0.7210
351	R	H	-2.4263
352	K	H	-2.7195
353	S	H	-1.6801
354	P	H	0.0000
355	T	H	-0.5213
356	I	H	0.0000
357	T	H	0.1529
358	C	H	0.0000
359	L	H	0.8939
360	V	H	0.0000
361	V	H	0.2196
362	D	H	-0.8395
363	L	H	0.0000
364	A	H	-1.0688
365	P	H	-1.2595
366	S	H	-1.2313
367	K	H	-2.0368
368	G	H	-1.3682
369	T	H	-1.0036
370	V	H	0.0000
371	N	H	-1.5481
372	L	H	-1.0056
373	T	H	-0.8815
374	W	H	0.0000
375	S	H	-1.0892
376	R	H	-1.0245
377	A	H	-1.0710
378	S	H	-1.2296
379	G	H	-1.4329
380	K	H	-2.1696
381	P	H	-1.3595
382	V	H	-0.9192
383	N	H	-1.6437
384	H	H	-1.6113
385	S	H	-1.0600
386	T	H	-1.2912
387	R	H	-2.1875
388	K	H	-3.1141
389	E	H	-3.5265
390	E	H	-3.5094
391	K	H	-3.5328
392	Q	H	-3.0970
393	R	H	-3.0558
394	N	H	-2.2225
395	G	H	-1.9956
396	T	H	0.0000
397	L	H	-1.7588
398	T	H	-1.5070
399	V	H	0.0000
400	T	H	-1.0084
401	S	H	0.0000
402	T	H	-0.6326
403	L	H	0.0000
404	P	H	-0.6250
405	V	H	0.0000
406	G	H	-1.4838
407	T	H	-2.0156
408	R	H	-2.7754
409	D	H	-2.1961
410	W	H	0.0000
411	I	H	-1.5186
412	E	H	-2.5541
413	G	H	-1.6746
414	E	H	-1.5937
415	T	H	-0.9704
416	Y	H	0.0000
417	Q	H	-0.9955
418	C	H	0.0000
419	R	H	-1.9479
420	V	H	0.0000
421	T	H	-1.2041
422	H	H	0.0000
423	P	H	-1.0170
424	H	H	-0.6499
425	L	H	-0.6597
426	P	H	-1.0876
427	R	H	-1.8642
428	A	H	-1.4084
429	L	H	-0.6346
430	M	H	-0.7612
431	R	H	-0.6249
432	S	H	-0.4602
433	T	H	0.0000
434	T	H	-0.6922
435	K	H	-0.9720
436	T	H	-0.4684
437	S	H	-0.4156
438	G	H	-0.7749
439	P	H	-1.1534
440	R	H	-2.1005
441	A	H	-1.2107
442	A	H	-0.7882
443	P	H	0.0000
444	E	H	-0.9695
445	V	H	0.0000
446	Y	H	0.3493
447	A	H	0.3744
448	F	H	1.1312
449	A	H	-0.1427
450	T	H	-0.1114
451	P	H	-0.8343
452	E	H	-2.3758
453	W	H	-0.8172
454	P	H	-0.8673
455	G	H	-1.2664
456	S	H	-2.0211
457	R	H	-3.6389
458	D	H	-3.8893
459	K	H	-3.0819
460	R	H	0.0000
461	T	H	-0.8653
462	L	H	0.0000
463	A	H	-0.0566
464	C	H	0.0000
465	L	H	0.6134
466	I	H	0.0000
467	Q	H	-0.6931
468	N	H	-1.2038
469	F	H	0.0000
470	M	H	-1.1249
471	P	H	-0.7957
472	E	H	-1.1599
473	D	H	-0.7525
474	I	H	-0.1989
475	S	H	-0.1353
476	V	H	0.0000
477	Q	H	0.0000
478	W	H	0.0000
479	L	H	-0.3697
480	H	H	0.0000
481	N	H	-1.7884
482	E	H	-1.4576
483	V	H	0.4754
484	Q	H	-0.4141
485	L	H	-0.6110
486	P	H	-1.1604
487	D	H	-2.2196
488	A	H	-1.2527
489	R	H	-1.7380
490	H	H	-1.7797
491	S	H	-1.3843
492	T	H	-0.8068
493	T	H	-0.8886
494	Q	H	-1.5762
495	P	H	-1.7636
496	R	H	-3.0016
497	K	H	-3.1063
498	T	H	-2.3599
499	K	H	-2.5628
500	G	H	-1.7517
501	S	H	-1.2223
502	G	H	0.0000
503	F	H	-1.7572
504	F	H	-0.9203
505	V	H	0.0000
506	F	H	0.2634
507	S	H	0.0000
508	R	H	-1.7618
509	L	H	0.0000
510	E	H	-1.5826
511	V	H	0.0000
512	T	H	-2.3400
513	R	H	-3.7745
514	A	H	-2.3647
515	E	H	-2.3662
516	W	H	-2.9654
517	Q	H	-3.1008
518	E	H	-3.4660
519	K	H	-3.0668
520	D	H	-2.9022
521	E	H	-2.4472
522	F	H	0.0000
523	I	H	-0.8138
524	C	H	0.0000
525	R	H	-0.8785
526	A	H	0.0000
527	V	H	0.0000
528	H	H	0.0000
529	E	H	-0.9918
530	A	H	-0.9201
531	A	H	0.0000
532	S	H	-0.5376
533	P	H	-0.5081
534	S	H	-0.4391
535	Q	H	-0.4906
536	T	H	-0.4331
537	V	H	-0.8091
538	Q	H	-1.5789
539	R	H	-1.4970
540	A	H	-0.7616
541	V	H	0.0000
542	S	H	-1.0572
543	V	H	-1.5685
544	N	H	-2.0759
545	P	H	-1.5191
546	G	H	-1.6433
547	K	H	-2.3278
1	D	L	-2.4536
2	I	L	-1.9985
3	Q	L	-1.9392
4	M	L	0.0000
5	T	L	-1.0593
6	Q	L	0.0000
7	S	L	-0.5647
8	P	L	-0.5059
9	S	L	-0.7433
10	T	L	-0.6183
11	L	L	-0.3336
12	S	L	-0.6620
13	A	L	0.0000
14	S	L	-0.3192
15	V	L	0.3622
16	G	L	-0.7018
17	D	L	-1.5144
18	R	L	-2.2050
19	V	L	0.0000
20	T	L	-0.3959
21	I	L	0.0000
22	T	L	-0.6771
23	C	L	0.0000
24	R	L	-1.9015
25	A	L	0.0000
26	S	L	-1.7609
27	Q	L	-2.2444
28	S	L	-1.6921
29	I	L	0.0000
30	N	L	-1.9777
31	T	L	-1.2177
32	W	L	-0.4890
33	L	L	0.0000
34	A	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	-0.7601
38	Q	L	0.0000
39	K	L	-1.6892
40	P	L	-1.5215
41	G	L	-2.1018
42	K	L	-3.2858
43	A	L	0.0000
44	P	L	0.0000
45	K	L	-1.4310
46	L	L	0.0000
47	L	L	0.0000
48	M	L	0.0000
49	Y	L	0.0038
50	K	L	-0.7093
51	A	L	0.0000
52	S	L	-0.1092
53	S	L	-0.0021
54	L	L	0.3560
55	E	L	-0.3423
56	S	L	-0.4152
57	G	L	-0.5310
58	V	L	-0.3056
59	P	L	-0.2079
60	S	L	-0.1394
61	R	L	-0.4741
62	F	L	0.0000
63	I	L	1.0068
64	G	L	0.0000
65	S	L	-0.4910
66	G	L	-1.4282
67	S	L	-1.5392
68	G	L	-1.6813
69	T	L	-1.9981
70	E	L	-2.6409
71	F	L	0.0000
72	T	L	-0.5129
73	L	L	0.0000
74	T	L	-0.1065
75	I	L	0.0000
76	S	L	-1.0246
77	S	L	-1.1087
78	L	L	0.0000
79	Q	L	-0.9718
80	P	L	-0.8455
81	D	L	-1.8736
82	D	L	0.0000
83	F	L	-0.3146
84	A	L	0.0000
85	T	L	-0.7578
86	Y	L	0.0000
87	Y	L	0.0000
88	C	L	0.0000
89	Q	L	0.0000
90	Q	L	0.0000
91	Y	L	0.0000
92	N	L	-1.2713
93	S	L	-1.5518
94	D	L	-2.2485
95	S	L	0.0000
96	K	L	0.0000
97	M	L	-0.9450
98	F	L	0.0000
99	G	L	0.0000
100	Q	L	-1.7055
101	G	L	0.0000
102	T	L	0.0000
103	K	L	-1.1368
104	V	L	0.0000
105	E	L	0.0000
106	V	L	-0.2257
107	K	L	-1.1033
108	G	L	-0.6881
109	T	L	0.0068
110	V	L	0.4811
111	A	L	-0.0919
112	A	L	-0.2247
113	P	L	0.0000
114	S	L	-0.3218
115	V	L	0.0000
116	F	L	-0.0441
117	I	L	0.0000
118	F	L	0.0000
119	P	L	-0.4180
120	P	L	0.0000
121	S	L	-1.3355
122	D	L	-2.5049
123	E	L	-2.1283
124	Q	L	0.0000
125	L	L	-1.9888
126	K	L	-2.5682
127	S	L	-1.5884
128	G	L	-1.1448
129	T	L	-0.8590
130	A	L	0.0000
131	S	L	0.0000
132	V	L	0.0000
133	V	L	0.0000
134	C	L	0.0000
135	L	L	0.0000
136	L	L	0.0000
137	N	L	-0.6149
138	N	L	-1.4880
139	F	L	0.0000
140	Y	L	0.0000
141	P	L	-1.4947
142	R	L	-2.4436
143	E	L	-2.8491
144	A	L	-1.9934
145	K	L	-2.0313
146	V	L	-0.9483
147	Q	L	-0.7571
148	W	L	0.0000
149	K	L	-0.6954
150	V	L	0.0000
151	D	L	-1.7370
152	N	L	-1.3961
153	A	L	-0.4239
154	L	L	0.2647
155	Q	L	-0.5427
156	S	L	-0.8144
157	G	L	-1.3688
158	N	L	-1.7813
159	S	L	-1.5307
160	Q	L	-1.7075
161	E	L	-1.6612
162	S	L	-0.9790
163	V	L	-0.7133
164	T	L	-1.3170
165	E	L	-2.3872
166	Q	L	-2.2149
167	D	L	-2.6882
168	S	L	-2.0192
169	K	L	-2.5526
170	D	L	-2.0732
171	S	L	-2.0063
172	T	L	0.0000
173	Y	L	0.0000
174	S	L	0.0000
175	L	L	0.0000
176	S	L	0.0000
177	S	L	0.0000
178	T	L	-0.7840
179	L	L	0.0000
180	T	L	-0.6210
181	L	L	-0.7298
182	S	L	-0.8882
183	K	L	-1.8271
184	A	L	-1.6484
185	D	L	-2.2099
186	Y	L	0.0000
187	E	L	-3.1451
188	K	L	-3.3465
189	H	L	-2.6200
190	K	L	-2.3994
191	V	L	-0.9976
192	Y	L	0.0000
193	A	L	0.0000
194	C	L	0.0000
195	E	L	-0.6877
196	V	L	0.0000
197	T	L	-1.0962
198	H	L	0.0000
199	Q	L	-1.6543
200	G	L	-0.4125
201	L	L	-0.2435
202	S	L	-0.4613
203	S	L	-0.4263
204	P	L	-0.5424
205	V	L	0.0126
206	T	L	-0.4197
207	K	L	-0.7032
208	S	L	-0.5884
209	F	L	0.0000
210	N	L	-1.2400
211	R	L	-1.7981
212	G	L	-1.2927
213	E	L	-1.4855
214	C	L	-0.6168

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
LK184H	-0.2902	-0.0152	View	CSV	PDB
LE184H	-0.2351	-0.0154	View	CSV	PDB
YR339H	0.0183	-0.0103	View	CSV	PDB
LE129H	0.0946	-0.0175	View	CSV	PDB
YK339H	0.0893	-0.0146	View	CSV	PDB
LR129H	0.0972	-0.0108	View	CSV	PDB
WR103H	0.3329	-0.0138	View	CSV	PDB
WK103H	0.7342	-0.015	View	CSV	PDB
SK185H	0.5148	-0.0087	View	CSV	PDB
SR185H	0.6067	-0.0074	View	CSV	PDB
FR448H	1.1949	-0.0123	View	CSV	PDB
FE448H	1.5565	-0.0151	View	CSV	PDB

Project name: a5a08206d556539

Status: done

Started: 2026-04-20 11:45:07

Automated mutations analysis

Mutant

Energetic effect

Score comparison